3 105 (N_temp, Lch) 80 21.780 1 2lp4A ATOM 1001 CA TRP 9 -3.667 -21.256 -17.545 6 SER ATOM 1002 CA ASN 10 -1.845 -23.923 -15.949 7 ASP ATOM 1003 CA LEU 11 -1.039 -22.646 -12.712 8 PHE ATOM 1004 CA THR 12 -4.856 -22.429 -12.406 9 TYR ATOM 1005 CA ARG 13 -5.650 -26.130 -11.943 10 GLN ATOM 1006 CA PHE 14 -3.677 -26.412 -8.705 11 THR ATOM 1007 CA TYR 15 -5.379 -23.286 -7.368 12 PHE ATOM 1008 CA ALA 16 -8.887 -24.455 -8.362 13 PHE ATOM 1009 CA HIS 17 -8.309 -27.747 -6.501 14 ASP ATOM 1010 CA GLU 18 -6.824 -26.063 -3.412 15 GLU ATOM 1011 CA CYS 26 -9.725 -23.577 -3.349 16 ALA ATOM 1012 CA ARG 27 -12.424 -26.282 -3.595 17 ASP ATOM 1013 CA GLU 28 -10.786 -28.121 -0.686 18 GLU ATOM 1014 CA GLY 29 -10.459 -24.938 1.370 19 LEU ATOM 1015 CA VAL 30 -14.099 -24.082 0.642 20 LEU ATOM 1016 CA GLY 32 -15.170 -27.509 1.886 21 ALA ATOM 1017 CA PHE 33 -13.089 -27.032 5.075 22 ASP ATOM 1018 CA MET 34 -14.533 -23.561 5.542 23 MET ATOM 1019 CA VAL 35 -18.064 -24.917 5.303 24 GLU ATOM 1020 CA ASN 36 -17.489 -27.694 7.838 25 GLN ATOM 1021 CA LEU 37 -15.774 -25.388 10.334 26 HIS ATOM 1022 CA PHE 38 -18.582 -22.864 9.939 27 LEU ATOM 1023 CA ALA 39 -21.187 -25.553 10.575 28 LEU ATOM 1024 CA LYS 40 -19.336 -26.699 13.706 29 ASP ATOM 1025 CA ILE 41 -18.843 -23.237 15.171 30 LEU ATOM 1026 CA GLY 42 -20.573 -22.354 18.442 31 VAL ATOM 1027 CA THR 43 -21.338 -18.632 17.843 32 PRO ATOM 1028 CA GLY 44 -21.299 -17.517 21.494 33 GLU ATOM 1029 CA GLN 45 -18.086 -19.427 22.216 34 SER ATOM 1030 CA GLY 46 -16.278 -19.989 18.887 35 PRO ATOM 1031 CA GLU 47 -13.288 -22.305 19.239 36 ASP ATOM 1032 CA GLU 48 -10.309 -20.063 18.524 37 ALA ATOM 1033 CA LYS 49 -8.576 -22.801 16.537 38 GLU ATOM 1034 CA ASP 50 -11.650 -23.255 14.327 39 GLN ATOM 1035 CA VAL 51 -12.022 -19.569 13.498 40 LEU ATOM 1036 CA GLU 52 -8.312 -19.373 12.745 41 ASN ATOM 1037 CA ASN 53 -8.767 -22.168 10.199 42 ALA ATOM 1038 CA LEU 54 -11.674 -20.389 8.486 43 ILE ATOM 1039 CA GLU 55 -9.659 -17.167 8.366 44 PHE ATOM 1040 CA ALA 56 -6.615 -18.968 6.931 45 ARG ATOM 1041 CA LEU 57 -8.671 -20.684 4.217 46 ALA ATOM 1042 CA LEU 58 -10.093 -17.263 3.249 47 ALA ATOM 1043 CA PRO 59 -6.644 -15.623 3.325 48 HIS ATOM 1044 CA LEU 60 -5.259 -18.401 1.100 49 SER ATOM 1045 CA ILE 61 -8.071 -18.194 -1.418 50 ILE ATOM 1046 CA GLU 62 -7.722 -14.394 -1.553 51 LYS ATOM 1047 CA GLY 63 -4.021 -14.491 -2.362 52 GLY ATOM 1048 CA LEU 69 -4.563 -17.019 -5.122 53 GLY ATOM 1049 CA ALA 70 -7.390 -14.880 -6.503 54 ALA ATOM 1050 CA ASP 71 -5.110 -11.840 -6.508 55 GLY ATOM 1051 CA ALA 72 -2.227 -13.689 -8.150 56 THR ATOM 1052 CA ALA 73 -4.424 -14.795 -11.055 57 PHE ATOM 1053 CA VAL 74 -6.528 -11.665 -11.471 58 GLY ATOM 1054 CA TRP 75 -9.841 -13.234 -10.400 59 PHE ATOM 1055 CA PRO 76 -11.197 -9.814 -9.428 60 THR ATOM 1056 CA VAL 77 -14.674 -10.824 -8.289 61 ILE ATOM 1057 CA LYS 78 -13.437 -13.681 -6.099 62 LEU ATOM 1058 CA GLY 79 -10.619 -11.582 -4.646 63 GLN ATOM 1059 CA SER 80 -12.896 -8.739 -3.542 64 GLU ATOM 1060 CA LEU 81 -15.519 -11.127 -2.176 65 THR ATOM 1061 CA ARG 82 -12.945 -13.071 -0.148 66 THR ATOM 1062 CA HIS 83 -11.252 -9.824 0.857 67 HIS ATOM 1063 CA PHE 84 -14.383 -8.555 2.605 68 LEU ATOM 1064 CA LYS 85 -15.044 -11.876 4.295 69 MET ATOM 1065 CA ASP 86 -11.426 -12.118 5.503 70 GLU ATOM 1066 CA GLN 87 -11.534 -8.722 7.212 71 ASN ATOM 1067 CA TYR 88 -14.691 -9.852 8.991 72 LEU ATOM 1068 CA LEU 89 -13.165 -13.163 10.047 73 LEU ATOM 1069 CA ALA 90 -10.142 -11.262 11.308 74 ASP ATOM 1070 CA LEU 91 -12.425 -9.146 13.509 75 GLU ATOM 1071 CA ALA 92 -14.173 -12.218 14.882 76 ALA ATOM 1072 CA ARG 93 -10.973 -14.135 15.540 77 ARG ATOM 1073 CA GLU 94 -9.304 -11.169 17.262 78 ARG ATOM 1074 CA LYS 95 -12.433 -11.078 19.409 79 GLY ATOM 1075 CA ARG 96 -13.371 -7.587 18.175 80 GLU ATOM 1076 CA PRO 97 -16.658 -8.796 16.688 81 MET ATOM 1077 CA VAL 98 -19.348 -10.911 18.290 82 GLN ATOM 1078 CA PRO 99 -20.751 -13.816 16.263 83 LEU ATOM 1079 CA ARG 100 -24.296 -15.196 16.209 84 ASN ATOM 1080 CA PRO 101 -26.383 -17.477 13.976 85 THR TER 73 48.320 2 4p6vA ATOM 2001 CA ARG 13 -41.043 -17.940 -20.709 324 SER ATOM 2002 CA PHE 14 -43.944 -15.605 -19.879 325 VAL ATOM 2003 CA TYR 15 -43.209 -12.503 -17.769 326 LEU ATOM 2004 CA ALA 16 -44.974 -9.371 -16.603 327 ARG ATOM 2005 CA HIS 17 -44.745 -6.317 -18.844 328 GLU ATOM 2006 CA GLU 18 -43.822 -2.847 -17.637 329 GLY ATOM 2007 CA SER 19 -18.840 0.289 -20.708 330 PRO ATOM 2008 CA CYS 20 -17.845 0.573 -17.038 331 ILE ATOM 2009 CA GLY 21 -15.966 -2.458 -15.737 332 GLY ATOM 2010 CA LYS 22 -17.769 -4.589 -13.155 333 ASN ATOM 2011 CA CYS 23 -19.056 -7.598 -15.111 334 TYR ATOM 2012 CA THR 24 -16.176 -9.966 -15.529 335 GLU ATOM 2013 CA PRO 25 -20.521 -13.251 -15.189 337 VAL ATOM 2014 CA CYS 26 -17.976 -14.481 -17.757 338 MET ATOM 2015 CA ARG 27 -16.320 -17.868 -17.040 339 PRO ATOM 2016 CA GLU 28 -13.955 -17.722 -20.028 340 LEU ATOM 2017 CA GLY 29 -10.391 -16.557 -20.569 341 ASP ATOM 2018 CA VAL 30 -11.149 -13.306 -22.409 342 MET ATOM 2019 CA GLY 32 -11.250 -10.367 -20.023 343 GLU ATOM 2020 CA MET 34 -13.808 -9.360 -21.524 344 PRO ATOM 2021 CA VAL 35 -14.181 -5.739 -20.410 345 THR ATOM 2022 CA ASN 36 -11.841 -4.924 -23.294 346 LEU ATOM 2023 CA LEU 37 -13.676 -7.321 -25.624 347 LEU ATOM 2024 CA PHE 38 -17.030 -5.613 -25.112 348 LEU ATOM 2025 CA ALA 39 -15.355 -2.223 -25.564 349 ARG ATOM 2026 CA LYS 40 -13.968 -3.407 -28.903 350 ASP ATOM 2027 CA ILE 41 -17.507 -4.519 -29.785 351 LEU ATOM 2028 CA GLY 42 -19.002 -1.220 -28.610 352 CYS ATOM 2029 CA THR 43 -16.274 0.484 -30.628 353 ALA ATOM 2030 CA GLY 44 -15.568 0.025 -34.316 354 GLY ATOM 2031 CA ASP 50 -12.868 -2.510 -35.102 355 ASP ATOM 2032 CA VAL 51 -13.926 -6.157 -34.916 356 SER ATOM 2033 CA GLU 52 -10.510 -7.329 -36.124 357 ASP ATOM 2034 CA ASN 53 -9.206 -6.890 -32.572 358 SER ATOM 2035 CA LEU 54 -12.365 -8.488 -31.164 359 ALA ATOM 2036 CA GLU 55 -11.418 -11.537 -33.246 360 VAL ATOM 2037 CA ALA 56 -8.199 -11.700 -31.215 361 ARG ATOM 2038 CA LEU 57 -9.725 -11.019 -27.802 362 LEU ATOM 2039 CA LEU 58 -11.918 -14.042 -28.537 363 GLY ATOM 2040 CA PRO 59 -15.820 -18.813 -29.714 366 GLU ATOM 2041 CA LEU 60 -18.668 -16.578 -28.467 367 LEU ATOM 2042 CA ILE 61 -22.241 -16.043 -29.615 368 ASP ATOM 2043 CA GLU 62 -25.313 -14.087 -28.594 369 GLU ATOM 2044 CA GLY 63 -26.340 -16.353 -25.709 370 GLU ATOM 2045 CA ARG 64 -22.782 -12.420 -24.221 372 LEU ATOM 2046 CA SER 65 -26.412 -12.601 -23.070 373 ALA ATOM 2047 CA PHE 66 -25.484 -12.831 -19.386 374 LEU ATOM 2048 CA CYS 67 -22.941 -10.044 -19.881 375 CYS ATOM 2049 CA PRO 68 -25.802 -7.909 -21.207 376 THR ATOM 2050 CA LEU 69 -27.939 -8.626 -18.130 377 PHE ATOM 2051 CA ALA 70 -25.516 -6.778 -15.845 378 VAL ATOM 2052 CA ASP 71 -23.533 -3.723 -17.040 379 CYS ATOM 2053 CA ALA 72 -24.720 -0.152 -16.382 380 PRO ATOM 2054 CA ALA 73 -24.788 1.180 -19.965 381 GLY ATOM 2055 CA VAL 74 -27.725 -1.092 -20.960 382 LYS ATOM 2056 CA TRP 75 -25.935 -2.033 -24.189 383 TYR ATOM 2057 CA PRO 76 -27.315 -5.027 -26.090 384 GLU ATOM 2058 CA VAL 77 -24.003 -6.875 -26.205 385 TYR ATOM 2059 CA LYS 78 -25.400 -10.012 -27.828 386 GLY ATOM 2060 CA GLY 79 -26.980 -7.917 -30.573 387 GLN ATOM 2061 CA SER 80 -23.704 -5.991 -30.863 388 LEU ATOM 2062 CA LEU 81 -21.726 -9.203 -31.365 389 LEU ATOM 2063 CA ARG 82 -23.746 -10.180 -34.436 390 ARG ATOM 2064 CA HIS 83 -22.867 -6.820 -36.005 391 GLU ATOM 2065 CA PHE 84 -19.142 -7.480 -35.520 392 CYS ATOM 2066 CA LYS 85 -19.511 -11.181 -36.368 393 LEU ATOM 2067 CA ASP 86 -21.363 -10.357 -39.591 394 ASP ATOM 2068 CA GLN 87 -18.899 -7.580 -40.453 395 LYS ATOM 2069 CA TYR 88 -16.149 -10.223 -40.552 396 ILE ATOM 2070 CA LEU 89 -18.405 -12.330 -42.782 397 GLU ATOM 2071 CA ALA 90 -17.987 -9.742 -45.544 398 LYS ATOM 2072 CA LEU 91 -14.248 -9.462 -44.832 399 GLU ATOM 2073 CA ALA 92 -14.020 -13.270 -44.914 400 GLY TER 64 23.420 3 2lseA ATOM 3001 CA ARG 27 -2.553 -13.388 8.561 6 LYS ATOM 3002 CA GLU 28 1.287 -12.887 8.413 7 LYS ATOM 3003 CA GLY 29 1.001 -11.786 4.723 8 LEU ATOM 3004 CA VAL 30 -1.770 -9.181 5.502 9 LEU ATOM 3005 CA GLY 32 -0.030 -8.203 8.846 10 GLU ATOM 3006 CA PHE 33 3.094 -7.181 6.858 11 LYS ATOM 3007 CA MET 34 0.776 -5.567 4.189 12 LEU ATOM 3008 CA VAL 35 -1.029 -3.310 6.801 13 GLU ATOM 3009 CA ASN 36 2.514 -2.584 8.227 14 LYS ATOM 3010 CA LEU 37 3.447 -1.227 4.700 15 ILE ATOM 3011 CA PHE 38 0.169 0.867 4.536 16 LEU ATOM 3012 CA ALA 39 1.157 2.193 8.044 17 ASP ATOM 3013 CA LYS 40 4.511 3.387 6.526 18 GLU ATOM 3014 CA ILE 41 2.808 4.734 3.292 19 VAL ATOM 3015 CA GLY 42 0.399 7.049 5.273 20 THR ATOM 3016 CA THR 43 3.109 8.209 7.774 21 ASP ATOM 3017 CA GLY 44 6.027 8.233 5.216 22 GLY ATOM 3018 CA GLN 45 3.833 9.912 2.515 23 ALA ATOM 3019 CA GLY 46 5.017 13.024 0.460 24 PRO ATOM 3020 CA GLU 47 3.083 15.535 2.744 25 ASP ATOM 3021 CA GLU 48 -0.162 16.303 0.715 26 GLU ATOM 3022 CA LYS 49 -0.326 12.742 -0.804 27 ALA ATOM 3023 CA VAL 51 -1.093 11.315 2.733 28 ARG ATOM 3024 CA GLU 52 -4.928 12.039 2.823 29 GLU ATOM 3025 CA ASN 53 -5.241 10.368 -0.667 30 ARG ATOM 3026 CA LEU 54 -3.509 7.243 0.810 31 ILE ATOM 3027 CA GLU 55 -5.459 7.200 4.176 32 GLU ATOM 3028 CA ALA 56 -8.893 6.590 2.492 33 LYS ATOM 3029 CA LEU 57 -7.736 3.626 0.291 34 LEU ATOM 3030 CA LEU 58 -5.570 2.082 3.119 35 ALA ATOM 3031 CA PRO 59 -8.645 2.268 5.471 36 LYS ATOM 3032 CA LEU 60 -10.813 0.607 2.709 37 ASP ATOM 3033 CA ILE 61 -8.225 -2.279 2.339 38 VAL ATOM 3034 CA GLU 62 -8.739 -3.069 6.112 39 LYS ATOM 3035 CA GLY 63 -12.518 -3.597 5.473 40 ASP ATOM 3036 CA PRO 68 -11.918 -5.615 2.251 41 GLU ATOM 3037 CA LEU 69 -9.604 -8.064 4.208 42 LEU ATOM 3038 CA ALA 70 -12.942 -9.847 5.170 43 GLU ATOM 3039 CA ASP 71 -15.783 -7.639 3.653 44 GLU ATOM 3040 CA ALA 72 -14.894 -7.479 -0.108 45 GLY ATOM 3041 CA ALA 73 -11.865 -8.274 -2.371 46 ASP ATOM 3042 CA VAL 77 -8.615 -7.868 -0.283 47 ALA ATOM 3043 CA LYS 78 -6.281 -9.429 -2.958 48 LYS ATOM 3044 CA GLY 79 -7.650 -6.952 -5.581 49 ASN ATOM 3045 CA SER 80 -7.130 -4.031 -3.070 50 MET ATOM 3046 CA LEU 81 -3.417 -5.055 -2.713 51 ILE ATOM 3047 CA ARG 82 -3.196 -4.586 -6.552 52 GLU ATOM 3048 CA HIS 83 -5.261 -1.302 -6.340 53 LYS ATOM 3049 CA PHE 84 -3.044 0.222 -3.621 54 PHE ATOM 3050 CA LYS 85 0.245 -1.025 -5.289 55 ARG ATOM 3051 CA ASP 86 -0.651 0.618 -8.677 56 ASP ATOM 3052 CA GLN 87 -2.081 3.746 -6.847 57 GLU ATOM 3053 CA TYR 88 1.247 4.132 -4.931 58 MET ATOM 3054 CA LEU 89 3.281 4.230 -8.227 59 GLU ATOM 3055 CA ALA 90 0.960 7.035 -9.566 60 GLN ATOM 3056 CA LEU 91 1.766 9.189 -6.437 61 MET ATOM 3057 CA ALA 92 5.461 7.957 -6.464 62 TYR ATOM 3058 CA ARG 93 6.021 9.152 -10.090 63 LYS ATOM 3059 CA GLU 94 4.265 12.434 -9.050 64 ASP ATOM 3060 CA LYS 95 6.378 12.904 -5.827 65 ALA ATOM 3061 CA VAL 98 9.245 10.443 -4.752 66 PRO ATOM 3062 CA PRO 99 10.787 11.180 -1.245 67 ASN ATOM 3063 CA ARG 100 12.924 7.973 -0.575 68 ALA ATOM 3064 CA PRO 101 10.776 5.422 1.354 69 VAL TER