USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 1065 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: D 20 ASN : amide:sc= -3.6! C(o=-8.2!,f=-21!) USER MOD Set 1.2: D 22 SER OG : rot 130:sc= -4.59! USER MOD Set 2.1: C 20 ASN : amide:sc= -3.7! C(o=-8.3!,f=-20!) USER MOD Set 2.2: C 22 SER OG : rot 130:sc= -4.59! USER MOD Set 3.1: B 20 ASN : amide:sc= -3.79! C(o=-8.3!,f=-20!) USER MOD Set 3.2: B 22 SER OG : rot 130:sc= -4.52! USER MOD Set 4.1: A 20 ASN : amide:sc= -3.72! C(o=-8.1!,f=-20!) USER MOD Set 4.2: A 22 SER OG : rot 133:sc= -4.41! USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0175 USER MOD Single : A 31 ASN : amide:sc= -4.21! C(o=-4.2!,f=-8.7!) USER MOD Single : A 37 HIS : no HD1:sc= -9.85! C(o=-9.9!,f=-12!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 36:sc= 0.00358 USER MOD Single : B 23 SER OG : rot 3:sc= 0.246 USER MOD Single : B 31 ASN : amide:sc= -4.73! C(o=-4.7!,f=-8.6!) USER MOD Single : B 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 SER OG : rot 43:sc= 0.00273 USER MOD Single : C 23 SER OG : rot 2:sc= 0.255 USER MOD Single : C 31 ASN : amide:sc= -5.34! C(o=-5.3!,f=-9.1!) USER MOD Single : C 37 HIS : no HD1:sc= -10! C(o=-10!,f=-12!) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 19 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc= -0.0115 USER MOD Single : D 31 ASN : amide:sc= -4.81! C(o=-4.8!,f=-8.6!) USER MOD Single : D 37 HIS : no HD1:sc= -9.83! C(o=-9.8!,f=-12!) USER MOD Single : D 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 -12.781 23.244 -3.937 1.00 0.00 N ATOM 2 CA SER A 19 -12.510 24.703 -4.079 1.00 0.00 C ATOM 3 C SER A 19 -11.209 25.048 -3.366 1.00 0.00 C ATOM 4 O SER A 19 -10.519 25.999 -3.735 1.00 0.00 O ATOM 5 CB SER A 19 -13.666 25.495 -3.466 1.00 0.00 C ATOM 6 OG SER A 19 -14.805 25.389 -4.308 1.00 0.00 O ATOM 0 HA SER A 19 -12.419 24.960 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.897 25.113 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.383 26.541 -3.347 1.00 0.00 H new ATOM 0 HG SER A 19 -15.549 25.894 -3.918 1.00 0.00 H new ATOM 14 N ASN A 20 -10.878 24.270 -2.339 1.00 0.00 N ATOM 15 CA ASN A 20 -9.655 24.505 -1.575 1.00 0.00 C ATOM 16 C ASN A 20 -8.482 23.769 -2.211 1.00 0.00 C ATOM 17 O ASN A 20 -8.466 22.540 -2.274 1.00 0.00 O ATOM 18 CB ASN A 20 -9.838 24.026 -0.134 1.00 0.00 C ATOM 19 CG ASN A 20 -8.630 24.429 0.705 1.00 0.00 C ATOM 20 OD1 ASN A 20 -7.652 24.957 0.174 1.00 0.00 O ATOM 21 ND2 ASN A 20 -8.641 24.215 1.991 1.00 0.00 N ATOM 0 H ASN A 20 -11.434 23.477 -2.018 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.446 25.575 -1.577 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -10.745 24.457 0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.960 22.943 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.839 24.485 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.452 23.778 2.428 1.00 0.00 H new ATOM 28 N ASP A 21 -7.501 24.529 -2.687 1.00 0.00 N ATOM 29 CA ASP A 21 -6.324 23.938 -3.322 1.00 0.00 C ATOM 30 C ASP A 21 -5.229 23.688 -2.290 1.00 0.00 C ATOM 31 O ASP A 21 -4.145 23.211 -2.626 1.00 0.00 O ATOM 32 CB ASP A 21 -5.798 24.870 -4.414 1.00 0.00 C ATOM 33 CG ASP A 21 -5.552 26.261 -3.840 1.00 0.00 C ATOM 34 OD1 ASP A 21 -5.570 26.392 -2.627 1.00 0.00 O ATOM 35 OD2 ASP A 21 -5.345 27.176 -4.622 1.00 0.00 O ATOM 0 H ASP A 21 -7.495 25.548 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.612 22.985 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.873 24.471 -4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.516 24.927 -5.232 1.00 0.00 H new ATOM 40 N SER A 22 -5.517 24.016 -1.035 1.00 0.00 N ATOM 41 CA SER A 22 -4.546 23.822 0.036 1.00 0.00 C ATOM 42 C SER A 22 -4.173 22.352 0.161 1.00 0.00 C ATOM 43 O SER A 22 -3.000 22.011 0.321 1.00 0.00 O ATOM 44 CB SER A 22 -5.129 24.314 1.362 1.00 0.00 C ATOM 45 OG SER A 22 -6.322 23.593 1.646 1.00 0.00 O ATOM 0 H SER A 22 -6.407 24.414 -0.736 1.00 0.00 H new ATOM 0 HA SER A 22 -3.650 24.394 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.406 24.174 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.340 25.382 1.306 1.00 0.00 H new ATOM 0 HG SER A 22 -6.306 23.287 2.577 1.00 0.00 H new ATOM 51 N SER A 23 -5.173 21.479 0.080 1.00 0.00 N ATOM 52 CA SER A 23 -4.934 20.043 0.179 1.00 0.00 C ATOM 53 C SER A 23 -6.011 19.269 -0.571 1.00 0.00 C ATOM 54 O SER A 23 -7.202 19.407 -0.289 1.00 0.00 O ATOM 55 CB SER A 23 -4.925 19.617 1.647 1.00 0.00 C ATOM 56 OG SER A 23 -3.798 20.192 2.296 1.00 0.00 O ATOM 0 H SER A 23 -6.150 21.739 -0.053 1.00 0.00 H new ATOM 0 HA SER A 23 -3.965 19.822 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.844 19.938 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.887 18.530 1.722 1.00 0.00 H new ATOM 0 HG SER A 23 -3.790 19.922 3.238 1.00 0.00 H new ATOM 62 N ASP A 24 -5.584 18.450 -1.528 1.00 0.00 N ATOM 63 CA ASP A 24 -6.518 17.662 -2.310 1.00 0.00 C ATOM 64 C ASP A 24 -7.018 16.460 -1.505 1.00 0.00 C ATOM 65 O ASP A 24 -6.295 15.927 -0.659 1.00 0.00 O ATOM 66 CB ASP A 24 -5.849 17.170 -3.599 1.00 0.00 C ATOM 67 CG ASP A 24 -5.793 18.302 -4.619 1.00 0.00 C ATOM 68 OD1 ASP A 24 -5.402 19.393 -4.239 1.00 0.00 O ATOM 69 OD2 ASP A 24 -6.149 18.063 -5.761 1.00 0.00 O ATOM 0 H ASP A 24 -4.603 18.318 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.367 18.297 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.842 16.813 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.405 16.327 -4.009 1.00 0.00 H new ATOM 74 N PRO A 25 -8.226 16.022 -1.758 1.00 0.00 N ATOM 75 CA PRO A 25 -8.823 14.856 -1.049 1.00 0.00 C ATOM 76 C PRO A 25 -8.131 13.544 -1.413 1.00 0.00 C ATOM 77 O PRO A 25 -8.259 12.548 -0.703 1.00 0.00 O ATOM 78 CB PRO A 25 -10.290 14.860 -1.517 1.00 0.00 C ATOM 79 CG PRO A 25 -10.277 15.568 -2.834 1.00 0.00 C ATOM 80 CD PRO A 25 -9.154 16.592 -2.751 1.00 0.00 C ATOM 0 HA PRO A 25 -8.718 14.934 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.674 13.845 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.931 15.373 -0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.106 14.868 -3.651 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.234 16.054 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.669 16.732 -3.717 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.525 17.567 -2.437 1.00 0.00 H new ATOM 88 N LEU A 26 -7.422 13.546 -2.534 1.00 0.00 N ATOM 89 CA LEU A 26 -6.736 12.345 -2.990 1.00 0.00 C ATOM 90 C LEU A 26 -5.679 11.919 -1.985 1.00 0.00 C ATOM 91 O LEU A 26 -5.537 10.732 -1.684 1.00 0.00 O ATOM 92 CB LEU A 26 -6.074 12.611 -4.346 1.00 0.00 C ATOM 93 CG LEU A 26 -7.155 12.852 -5.407 1.00 0.00 C ATOM 94 CD1 LEU A 26 -6.500 13.339 -6.703 1.00 0.00 C ATOM 95 CD2 LEU A 26 -7.928 11.547 -5.679 1.00 0.00 C ATOM 0 H LEU A 26 -7.307 14.359 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.469 11.544 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.417 13.478 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.453 11.762 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.850 13.608 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.268 13.510 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.965 14.269 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.800 12.585 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.693 11.728 -6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.238 10.783 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.400 11.205 -4.758 1.00 0.00 H new ATOM 107 N VAL A 27 -4.936 12.890 -1.469 1.00 0.00 N ATOM 108 CA VAL A 27 -3.889 12.601 -0.496 1.00 0.00 C ATOM 109 C VAL A 27 -4.489 12.022 0.784 1.00 0.00 C ATOM 110 O VAL A 27 -4.002 11.024 1.314 1.00 0.00 O ATOM 111 CB VAL A 27 -3.114 13.879 -0.168 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.102 13.594 0.944 1.00 0.00 C ATOM 113 CG2 VAL A 27 -2.374 14.359 -1.420 1.00 0.00 C ATOM 0 H VAL A 27 -5.037 13.877 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.210 11.866 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.809 14.650 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.551 14.505 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.628 13.250 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.406 12.823 0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.821 15.269 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.680 13.587 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.094 14.563 -2.212 1.00 0.00 H new ATOM 123 N VAL A 28 -5.549 12.658 1.271 1.00 0.00 N ATOM 124 CA VAL A 28 -6.208 12.199 2.486 1.00 0.00 C ATOM 125 C VAL A 28 -6.836 10.828 2.268 1.00 0.00 C ATOM 126 O VAL A 28 -6.744 9.947 3.122 1.00 0.00 O ATOM 127 CB VAL A 28 -7.287 13.200 2.907 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.049 12.654 4.116 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.630 14.531 3.279 1.00 0.00 C ATOM 0 H VAL A 28 -5.967 13.486 0.846 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.461 12.121 3.276 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.980 13.354 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.817 13.368 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.518 11.706 3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.356 12.499 4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.398 15.244 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.936 14.376 4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.088 14.922 2.418 1.00 0.00 H new ATOM 139 N ALA A 29 -7.492 10.659 1.124 1.00 0.00 N ATOM 140 CA ALA A 29 -8.147 9.395 0.809 1.00 0.00 C ATOM 141 C ALA A 29 -7.124 8.267 0.720 1.00 0.00 C ATOM 142 O ALA A 29 -7.369 7.158 1.191 1.00 0.00 O ATOM 143 CB ALA A 29 -8.894 9.509 -0.522 1.00 0.00 C ATOM 0 H ALA A 29 -7.584 11.376 0.405 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.855 9.169 1.607 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.380 8.560 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.647 10.294 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.188 9.754 -1.316 1.00 0.00 H new ATOM 149 N ALA A 30 -5.977 8.560 0.119 1.00 0.00 N ATOM 150 CA ALA A 30 -4.928 7.559 -0.027 1.00 0.00 C ATOM 151 C ALA A 30 -4.497 7.033 1.339 1.00 0.00 C ATOM 152 O ALA A 30 -4.315 5.828 1.519 1.00 0.00 O ATOM 153 CB ALA A 30 -3.721 8.171 -0.741 1.00 0.00 C ATOM 0 H ALA A 30 -5.751 9.475 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.320 6.731 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.940 7.418 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.022 8.523 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.340 9.009 -0.158 1.00 0.00 H new ATOM 159 N ASN A 31 -4.337 7.941 2.295 1.00 0.00 N ATOM 160 CA ASN A 31 -3.929 7.551 3.640 1.00 0.00 C ATOM 161 C ASN A 31 -4.999 6.682 4.296 1.00 0.00 C ATOM 162 O ASN A 31 -4.692 5.661 4.909 1.00 0.00 O ATOM 163 CB ASN A 31 -3.691 8.798 4.494 1.00 0.00 C ATOM 164 CG ASN A 31 -3.228 8.396 5.892 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.610 7.341 6.397 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.420 9.179 6.550 1.00 0.00 N ATOM 0 H ASN A 31 -4.482 8.942 2.167 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.006 6.977 3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.941 9.433 4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.608 9.383 4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.104 8.917 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.104 10.053 6.131 1.00 0.00 H new ATOM 173 N ILE A 32 -6.254 7.089 4.157 1.00 0.00 N ATOM 174 CA ILE A 32 -7.361 6.344 4.744 1.00 0.00 C ATOM 175 C ILE A 32 -7.435 4.943 4.145 1.00 0.00 C ATOM 176 O ILE A 32 -7.667 3.967 4.856 1.00 0.00 O ATOM 177 CB ILE A 32 -8.679 7.085 4.499 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.681 8.394 5.296 1.00 0.00 C ATOM 179 CG2 ILE A 32 -9.851 6.212 4.959 1.00 0.00 C ATOM 180 CD1 ILE A 32 -9.856 9.263 4.843 1.00 0.00 C ATOM 0 H ILE A 32 -6.531 7.927 3.645 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.193 6.258 5.818 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.781 7.301 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.760 8.183 6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.742 8.926 5.145 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.788 6.740 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.851 5.278 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.749 5.997 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.859 10.195 5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.756 9.484 3.780 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.791 8.730 5.017 1.00 0.00 H new ATOM 192 N ILE A 33 -7.250 4.856 2.838 1.00 0.00 N ATOM 193 CA ILE A 33 -7.306 3.571 2.154 1.00 0.00 C ATOM 194 C ILE A 33 -6.223 2.642 2.680 1.00 0.00 C ATOM 195 O ILE A 33 -6.462 1.451 2.883 1.00 0.00 O ATOM 196 CB ILE A 33 -7.124 3.778 0.644 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.337 4.545 0.081 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.016 2.411 -0.050 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.476 3.571 -0.252 1.00 0.00 C ATOM 0 H ILE A 33 -7.061 5.654 2.231 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.279 3.117 2.342 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.215 4.351 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.680 5.281 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.045 5.094 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.887 2.557 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.159 1.867 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -7.925 1.838 0.131 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.326 4.127 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.134 2.852 -0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.778 3.042 0.652 1.00 0.00 H new ATOM 211 N GLY A 34 -5.029 3.186 2.878 1.00 0.00 N ATOM 212 CA GLY A 34 -3.910 2.385 3.364 1.00 0.00 C ATOM 213 C GLY A 34 -4.284 1.641 4.639 1.00 0.00 C ATOM 214 O GLY A 34 -4.153 0.421 4.720 1.00 0.00 O ATOM 0 H GLY A 34 -4.810 4.168 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.609 1.671 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.052 3.030 3.553 1.00 0.00 H new ATOM 218 N ILE A 35 -4.766 2.377 5.629 1.00 0.00 N ATOM 219 CA ILE A 35 -5.173 1.774 6.890 1.00 0.00 C ATOM 220 C ILE A 35 -6.343 0.826 6.683 1.00 0.00 C ATOM 221 O ILE A 35 -6.397 -0.245 7.291 1.00 0.00 O ATOM 222 CB ILE A 35 -5.549 2.863 7.905 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.276 3.612 8.364 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.238 2.234 9.118 1.00 0.00 C ATOM 225 CD1 ILE A 35 -3.930 4.716 7.366 1.00 0.00 C ATOM 0 H ILE A 35 -4.885 3.389 5.585 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.332 1.202 7.281 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.233 3.567 7.431 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.434 4.041 9.353 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.444 2.913 8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.501 3.014 9.832 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.142 1.718 8.796 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.562 1.521 9.591 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.032 5.238 7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.753 4.277 6.384 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.758 5.422 7.303 1.00 0.00 H new ATOM 237 N LEU A 36 -7.289 1.242 5.857 1.00 0.00 N ATOM 238 CA LEU A 36 -8.468 0.432 5.612 1.00 0.00 C ATOM 239 C LEU A 36 -8.073 -0.943 5.084 1.00 0.00 C ATOM 240 O LEU A 36 -8.595 -1.968 5.534 1.00 0.00 O ATOM 241 CB LEU A 36 -9.374 1.132 4.589 1.00 0.00 C ATOM 242 CG LEU A 36 -10.582 0.242 4.268 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.338 -0.092 5.564 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.514 0.977 3.306 1.00 0.00 C ATOM 0 H LEU A 36 -7.264 2.127 5.350 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.005 0.307 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.712 2.090 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.814 1.343 3.678 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.237 -0.683 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.195 -0.724 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.673 -0.619 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.683 0.830 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.372 0.345 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.857 1.903 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.978 1.208 2.385 1.00 0.00 H new ATOM 256 N HIS A 37 -7.151 -0.959 4.132 1.00 0.00 N ATOM 257 CA HIS A 37 -6.686 -2.214 3.554 1.00 0.00 C ATOM 258 C HIS A 37 -6.043 -3.086 4.623 1.00 0.00 C ATOM 259 O HIS A 37 -6.217 -4.306 4.635 1.00 0.00 O ATOM 260 CB HIS A 37 -5.678 -1.936 2.440 1.00 0.00 C ATOM 261 CG HIS A 37 -5.210 -3.241 1.852 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.421 -3.578 0.527 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.535 -4.301 2.400 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.883 -4.795 0.329 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.330 -5.280 1.437 1.00 0.00 N ATOM 0 H HIS A 37 -6.712 -0.124 3.745 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.544 -2.742 3.138 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.135 -1.319 1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.829 -1.377 2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.211 -4.365 3.428 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.898 -5.316 -0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.858 -6.177 1.554 1.00 0.00 H new ATOM 273 N LEU A 38 -5.288 -2.461 5.515 1.00 0.00 N ATOM 274 CA LEU A 38 -4.614 -3.199 6.574 1.00 0.00 C ATOM 275 C LEU A 38 -5.619 -3.924 7.449 1.00 0.00 C ATOM 276 O LEU A 38 -5.379 -5.044 7.868 1.00 0.00 O ATOM 277 CB LEU A 38 -3.782 -2.227 7.435 1.00 0.00 C ATOM 278 CG LEU A 38 -2.363 -2.090 6.851 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.745 -0.767 7.294 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.489 -3.252 7.354 1.00 0.00 C ATOM 0 H LEU A 38 -5.127 -1.454 5.528 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.957 -3.938 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.267 -1.251 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.729 -2.591 8.461 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.420 -2.115 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.742 -0.677 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.361 0.059 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.690 -0.737 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.484 -3.157 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.439 -3.225 8.442 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.924 -4.199 7.035 1.00 0.00 H new ATOM 292 N ILE A 39 -6.731 -3.277 7.727 1.00 0.00 N ATOM 293 CA ILE A 39 -7.753 -3.881 8.569 1.00 0.00 C ATOM 294 C ILE A 39 -8.274 -5.164 7.930 1.00 0.00 C ATOM 295 O ILE A 39 -8.434 -6.180 8.604 1.00 0.00 O ATOM 296 CB ILE A 39 -8.913 -2.897 8.759 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.439 -1.708 9.599 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.073 -3.597 9.475 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.516 -0.620 9.603 1.00 0.00 C ATOM 0 H ILE A 39 -6.953 -2.341 7.388 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.314 -4.120 9.538 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.251 -2.545 7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.230 -2.031 10.619 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.508 -1.311 9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.896 -2.894 9.608 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.412 -4.443 8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.738 -3.952 10.450 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.177 0.226 10.201 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.703 -0.290 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.436 -1.020 10.029 1.00 0.00 H new ATOM 311 N LEU A 40 -8.541 -5.109 6.632 1.00 0.00 N ATOM 312 CA LEU A 40 -9.039 -6.281 5.918 1.00 0.00 C ATOM 313 C LEU A 40 -7.935 -7.318 5.740 1.00 0.00 C ATOM 314 O LEU A 40 -8.162 -8.517 5.905 1.00 0.00 O ATOM 315 CB LEU A 40 -9.580 -5.863 4.550 1.00 0.00 C ATOM 316 CG LEU A 40 -10.570 -4.708 4.723 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.084 -4.268 3.350 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.753 -5.167 5.589 1.00 0.00 C ATOM 0 H LEU A 40 -8.423 -4.276 6.056 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.841 -6.727 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.759 -5.558 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.071 -6.708 4.068 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.069 -3.872 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.789 -3.446 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.246 -3.939 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.584 -5.105 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.456 -4.343 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.255 -6.004 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.388 -5.480 6.567 1.00 0.00 H new ATOM 330 N TRP A 41 -6.745 -6.844 5.382 1.00 0.00 N ATOM 331 CA TRP A 41 -5.613 -7.733 5.169 1.00 0.00 C ATOM 332 C TRP A 41 -5.185 -8.390 6.475 1.00 0.00 C ATOM 333 O TRP A 41 -4.818 -9.566 6.499 1.00 0.00 O ATOM 334 CB TRP A 41 -4.447 -6.970 4.552 1.00 0.00 C ATOM 335 CG TRP A 41 -3.257 -7.874 4.475 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.047 -8.802 3.511 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.073 -7.895 5.324 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.845 -9.436 3.760 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.202 -8.898 4.856 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.684 -7.157 6.454 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.011 -9.158 5.484 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.457 -7.411 7.085 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.384 -8.413 6.602 1.00 0.00 C ATOM 0 H TRP A 41 -6.543 -5.855 5.235 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.922 -8.518 4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.714 -6.615 3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.213 -6.091 5.152 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.710 -9.012 2.684 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.478 -10.207 3.202 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.335 -6.387 6.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.661 -9.934 5.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.163 -6.829 7.946 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.325 -8.612 7.094 1.00 0.00 H new ATOM 354 N ILE A 42 -5.226 -7.623 7.550 1.00 0.00 N ATOM 355 CA ILE A 42 -4.840 -8.136 8.855 1.00 0.00 C ATOM 356 C ILE A 42 -5.783 -9.259 9.278 1.00 0.00 C ATOM 357 O ILE A 42 -5.343 -10.297 9.769 1.00 0.00 O ATOM 358 CB ILE A 42 -4.871 -7.003 9.893 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.621 -6.130 9.740 1.00 0.00 C ATOM 360 CG2 ILE A 42 -4.905 -7.594 11.307 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.814 -4.822 10.500 1.00 0.00 C ATOM 0 H ILE A 42 -5.521 -6.647 7.547 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.827 -8.533 8.793 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.763 -6.397 9.732 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.747 -6.658 10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.435 -5.926 8.686 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.927 -6.786 12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.796 -8.212 11.422 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.017 -8.205 11.467 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.924 -4.203 10.390 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.677 -4.292 10.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.979 -5.036 11.556 1.00 0.00 H new ATOM 373 N LEU A 43 -7.079 -9.031 9.106 1.00 0.00 N ATOM 374 CA LEU A 43 -8.073 -10.025 9.486 1.00 0.00 C ATOM 375 C LEU A 43 -7.912 -11.285 8.651 1.00 0.00 C ATOM 376 O LEU A 43 -8.046 -12.398 9.158 1.00 0.00 O ATOM 377 CB LEU A 43 -9.481 -9.453 9.294 1.00 0.00 C ATOM 378 CG LEU A 43 -9.735 -8.354 10.333 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.999 -7.578 9.956 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.914 -8.981 11.729 1.00 0.00 C ATOM 0 H LEU A 43 -7.464 -8.174 8.709 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.926 -10.280 10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.586 -9.048 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.223 -10.244 9.398 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.881 -7.676 10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.180 -6.797 10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.868 -7.125 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.850 -8.259 9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.094 -8.194 12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.763 -9.664 11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.012 -9.529 12.000 1.00 0.00 H new ATOM 392 N ASP A 44 -7.633 -11.102 7.366 1.00 0.00 N ATOM 393 CA ASP A 44 -7.466 -12.235 6.464 1.00 0.00 C ATOM 394 C ASP A 44 -6.354 -13.150 6.961 1.00 0.00 C ATOM 395 O ASP A 44 -6.490 -14.375 6.941 1.00 0.00 O ATOM 396 CB ASP A 44 -7.127 -11.735 5.057 1.00 0.00 C ATOM 397 CG ASP A 44 -7.015 -12.915 4.098 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.096 -14.040 4.563 1.00 0.00 O ATOM 399 OD2 ASP A 44 -6.858 -12.676 2.912 1.00 0.00 O ATOM 0 H ASP A 44 -7.518 -10.188 6.928 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.400 -12.796 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.898 -11.046 4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.189 -11.180 5.075 1.00 0.00 H new ATOM 404 N ARG A 45 -5.257 -12.552 7.413 1.00 0.00 N ATOM 405 CA ARG A 45 -4.131 -13.328 7.920 1.00 0.00 C ATOM 406 C ARG A 45 -4.542 -14.114 9.162 1.00 0.00 C ATOM 407 O ARG A 45 -4.203 -15.288 9.310 1.00 0.00 O ATOM 408 CB ARG A 45 -2.967 -12.398 8.265 1.00 0.00 C ATOM 409 CG ARG A 45 -1.758 -13.229 8.699 1.00 0.00 C ATOM 410 CD ARG A 45 -0.579 -12.302 8.992 1.00 0.00 C ATOM 411 NE ARG A 45 0.619 -13.081 9.283 1.00 0.00 N ATOM 412 CZ ARG A 45 1.678 -12.525 9.862 1.00 0.00 C ATOM 413 NH1 ARG A 45 1.657 -11.260 10.180 1.00 0.00 N ATOM 414 NH2 ARG A 45 2.737 -13.246 10.114 1.00 0.00 N ATOM 0 H ARG A 45 -5.124 -11.541 7.439 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.817 -14.028 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.709 -11.786 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.258 -11.716 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.004 -13.813 9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.491 -13.938 7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.398 -11.651 8.137 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.816 -11.658 9.839 1.00 0.00 H new ATOM 0 HE ARG A 45 0.645 -14.071 9.038 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.828 -10.699 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.469 -10.832 10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.751 -14.235 9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.550 -12.820 10.558 1.00 0.00 H new ATOM 428 N LEU A 46 -5.271 -13.458 10.058 1.00 0.00 N ATOM 429 CA LEU A 46 -5.715 -14.110 11.284 1.00 0.00 C ATOM 430 C LEU A 46 -6.650 -15.269 10.977 1.00 0.00 C ATOM 431 O LEU A 46 -6.536 -16.342 11.567 1.00 0.00 O ATOM 432 CB LEU A 46 -6.439 -13.088 12.175 1.00 0.00 C ATOM 433 CG LEU A 46 -5.404 -12.225 12.926 1.00 0.00 C ATOM 434 CD1 LEU A 46 -6.010 -10.858 13.246 1.00 0.00 C ATOM 435 CD2 LEU A 46 -5.011 -12.923 14.233 1.00 0.00 C ATOM 0 H LEU A 46 -5.564 -12.486 9.961 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.840 -14.502 11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.083 -12.453 11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.082 -13.604 12.888 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.521 -12.094 12.300 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.277 -10.250 13.777 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.292 -10.359 12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.893 -10.989 13.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.280 -12.314 14.765 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.896 -13.054 14.856 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.578 -13.898 14.009 1.00 0.00 H new ATOM 447 N PHE A 47 -7.584 -15.040 10.065 1.00 0.00 N ATOM 448 CA PHE A 47 -8.543 -16.069 9.697 1.00 0.00 C ATOM 449 C PHE A 47 -7.869 -17.171 8.899 1.00 0.00 C ATOM 450 O PHE A 47 -8.077 -18.355 9.163 1.00 0.00 O ATOM 451 CB PHE A 47 -9.683 -15.453 8.872 1.00 0.00 C ATOM 452 CG PHE A 47 -10.697 -14.817 9.799 1.00 0.00 C ATOM 453 CD1 PHE A 47 -10.290 -13.857 10.735 1.00 0.00 C ATOM 454 CD2 PHE A 47 -12.046 -15.190 9.726 1.00 0.00 C ATOM 455 CE1 PHE A 47 -11.222 -13.276 11.593 1.00 0.00 C ATOM 456 CE2 PHE A 47 -12.981 -14.608 10.584 1.00 0.00 C ATOM 457 CZ PHE A 47 -12.570 -13.649 11.519 1.00 0.00 C ATOM 0 H PHE A 47 -7.697 -14.156 9.569 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.951 -16.501 10.611 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.285 -14.706 8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.162 -16.221 8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.251 -13.567 10.792 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.363 -15.929 9.005 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.905 -12.538 12.315 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.020 -14.897 10.527 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.293 -13.197 12.183 1.00 0.00 H new ATOM 467 N PHE A 48 -7.068 -16.777 7.914 1.00 0.00 N ATOM 468 CA PHE A 48 -6.369 -17.746 7.071 1.00 0.00 C ATOM 469 C PHE A 48 -4.904 -17.363 6.925 1.00 0.00 C ATOM 470 O PHE A 48 -4.561 -16.187 6.921 1.00 0.00 O ATOM 471 CB PHE A 48 -7.023 -17.801 5.690 1.00 0.00 C ATOM 472 CG PHE A 48 -8.530 -17.828 5.845 1.00 0.00 C ATOM 473 CD1 PHE A 48 -9.136 -18.811 6.636 1.00 0.00 C ATOM 474 CD2 PHE A 48 -9.317 -16.868 5.198 1.00 0.00 C ATOM 475 CE1 PHE A 48 -10.528 -18.833 6.781 1.00 0.00 C ATOM 476 CE2 PHE A 48 -10.709 -16.890 5.343 1.00 0.00 C ATOM 477 CZ PHE A 48 -11.314 -17.872 6.133 1.00 0.00 C ATOM 0 H PHE A 48 -6.886 -15.801 7.679 1.00 0.00 H new ATOM 0 HA PHE A 48 -6.433 -18.727 7.543 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.723 -16.936 5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.686 -18.687 5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -8.529 -19.553 7.135 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.850 -16.110 4.587 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.996 -19.591 7.392 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.316 -16.148 4.845 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.388 -17.890 6.244 1.00 0.00 H new ATOM 487 N LYS A 49 -4.045 -18.367 6.805 1.00 0.00 N ATOM 488 CA LYS A 49 -2.612 -18.124 6.657 1.00 0.00 C ATOM 489 C LYS A 49 -2.268 -17.813 5.204 1.00 0.00 C ATOM 490 O LYS A 49 -2.425 -16.670 4.812 1.00 0.00 O ATOM 491 CB LYS A 49 -1.825 -19.352 7.119 1.00 0.00 C ATOM 492 CG LYS A 49 -1.990 -19.525 8.631 1.00 0.00 C ATOM 493 CD LYS A 49 -1.201 -20.751 9.094 1.00 0.00 C ATOM 494 CE LYS A 49 -1.374 -20.931 10.604 1.00 0.00 C ATOM 495 NZ LYS A 49 -0.605 -22.125 11.053 1.00 0.00 N ATOM 496 OXT LYS A 49 -1.850 -18.723 4.508 1.00 0.00 O ATOM 0 H LYS A 49 -4.311 -19.352 6.807 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.342 -17.266 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.181 -20.242 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.770 -19.237 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.636 -18.634 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.044 -19.642 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.550 -21.640 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.145 -20.630 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.025 -20.042 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.429 -21.052 10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.722 -22.248 12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.958 -22.970 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.403 -21.992 10.833 1.00 0.00 H new TER 510 LYS A 49 ATOM 511 N SER B 19 5.903 20.424 -16.395 1.00 0.00 N ATOM 512 CA SER B 19 6.177 21.889 -16.367 1.00 0.00 C ATOM 513 C SER B 19 5.513 22.503 -15.142 1.00 0.00 C ATOM 514 O SER B 19 5.969 23.521 -14.620 1.00 0.00 O ATOM 515 CB SER B 19 5.621 22.533 -17.638 1.00 0.00 C ATOM 516 OG SER B 19 6.430 22.158 -18.745 1.00 0.00 O ATOM 0 HA SER B 19 7.252 22.062 -16.318 1.00 0.00 H new ATOM 0 HB2 SER B 19 4.591 22.215 -17.801 1.00 0.00 H new ATOM 0 HB3 SER B 19 5.607 23.618 -17.534 1.00 0.00 H new ATOM 0 HG SER B 19 6.739 21.235 -18.627 1.00 0.00 H new ATOM 524 N ASN B 20 4.431 21.881 -14.685 1.00 0.00 N ATOM 525 CA ASN B 20 3.705 22.378 -13.518 1.00 0.00 C ATOM 526 C ASN B 20 4.285 21.787 -12.239 1.00 0.00 C ATOM 527 O ASN B 20 4.233 20.576 -12.022 1.00 0.00 O ATOM 528 CB ASN B 20 2.226 22.009 -13.624 1.00 0.00 C ATOM 529 CG ASN B 20 1.443 22.671 -12.495 1.00 0.00 C ATOM 530 OD1 ASN B 20 2.031 23.301 -11.616 1.00 0.00 O ATOM 531 ND2 ASN B 20 0.142 22.571 -12.470 1.00 0.00 N ATOM 0 H ASN B 20 4.038 21.037 -15.101 1.00 0.00 H new ATOM 0 HA ASN B 20 3.806 23.463 -13.486 1.00 0.00 H new ATOM 0 HB2 ASN B 20 1.831 22.329 -14.588 1.00 0.00 H new ATOM 0 HB3 ASN B 20 2.108 20.927 -13.574 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -0.389 23.015 -11.721 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -0.343 22.049 -13.199 1.00 0.00 H new ATOM 538 N ASP B 21 4.846 22.647 -11.395 1.00 0.00 N ATOM 539 CA ASP B 21 5.438 22.198 -10.135 1.00 0.00 C ATOM 540 C ASP B 21 4.400 22.229 -9.018 1.00 0.00 C ATOM 541 O ASP B 21 4.706 21.914 -7.867 1.00 0.00 O ATOM 542 CB ASP B 21 6.617 23.099 -9.765 1.00 0.00 C ATOM 543 CG ASP B 21 6.173 24.557 -9.732 1.00 0.00 C ATOM 544 OD1 ASP B 21 4.977 24.793 -9.790 1.00 0.00 O ATOM 545 OD2 ASP B 21 7.035 25.418 -9.650 1.00 0.00 O ATOM 0 H ASP B 21 4.904 23.652 -11.557 1.00 0.00 H new ATOM 0 HA ASP B 21 5.789 21.174 -10.261 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.014 22.810 -8.792 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.422 22.972 -10.489 1.00 0.00 H new ATOM 550 N SER B 22 3.174 22.613 -9.363 1.00 0.00 N ATOM 551 CA SER B 22 2.102 22.685 -8.377 1.00 0.00 C ATOM 552 C SER B 22 1.843 21.312 -7.767 1.00 0.00 C ATOM 553 O SER B 22 1.666 21.185 -6.555 1.00 0.00 O ATOM 554 CB SER B 22 0.822 23.197 -9.035 1.00 0.00 C ATOM 555 OG SER B 22 0.453 22.319 -10.090 1.00 0.00 O ATOM 0 H SER B 22 2.900 22.877 -10.310 1.00 0.00 H new ATOM 0 HA SER B 22 2.407 23.372 -7.587 1.00 0.00 H new ATOM 0 HB2 SER B 22 0.020 23.257 -8.299 1.00 0.00 H new ATOM 0 HB3 SER B 22 0.976 24.204 -9.422 1.00 0.00 H new ATOM 0 HG SER B 22 -0.491 22.073 -9.996 1.00 0.00 H new ATOM 561 N SER B 23 1.833 20.285 -8.611 1.00 0.00 N ATOM 562 CA SER B 23 1.605 18.921 -8.141 1.00 0.00 C ATOM 563 C SER B 23 2.265 17.916 -9.076 1.00 0.00 C ATOM 564 O SER B 23 1.985 17.888 -10.275 1.00 0.00 O ATOM 565 CB SER B 23 0.105 18.641 -8.063 1.00 0.00 C ATOM 566 OG SER B 23 -0.469 19.438 -7.036 1.00 0.00 O ATOM 0 H SER B 23 1.979 20.369 -9.617 1.00 0.00 H new ATOM 0 HA SER B 23 2.045 18.819 -7.149 1.00 0.00 H new ATOM 0 HB2 SER B 23 -0.368 18.864 -9.019 1.00 0.00 H new ATOM 0 HB3 SER B 23 -0.069 17.584 -7.859 1.00 0.00 H new ATOM 0 HG SER B 23 0.219 20.020 -6.651 1.00 0.00 H new ATOM 572 N ASP B 24 3.147 17.092 -8.518 1.00 0.00 N ATOM 573 CA ASP B 24 3.845 16.095 -9.311 1.00 0.00 C ATOM 574 C ASP B 24 2.929 14.904 -9.609 1.00 0.00 C ATOM 575 O ASP B 24 2.052 14.570 -8.809 1.00 0.00 O ATOM 576 CB ASP B 24 5.095 15.605 -8.570 1.00 0.00 C ATOM 577 CG ASP B 24 6.215 16.630 -8.709 1.00 0.00 C ATOM 578 OD1 ASP B 24 5.945 17.802 -8.505 1.00 0.00 O ATOM 579 OD2 ASP B 24 7.323 16.230 -9.025 1.00 0.00 O ATOM 0 H ASP B 24 3.391 17.097 -7.528 1.00 0.00 H new ATOM 0 HA ASP B 24 4.142 16.558 -10.252 1.00 0.00 H new ATOM 0 HB2 ASP B 24 4.865 15.445 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP B 24 5.416 14.645 -8.975 1.00 0.00 H new ATOM 584 N PRO B 25 3.123 14.258 -10.731 1.00 0.00 N ATOM 585 CA PRO B 25 2.302 13.082 -11.135 1.00 0.00 C ATOM 586 C PRO B 25 2.554 11.871 -10.241 1.00 0.00 C ATOM 587 O PRO B 25 1.757 10.933 -10.215 1.00 0.00 O ATOM 588 CB PRO B 25 2.745 12.810 -12.583 1.00 0.00 C ATOM 589 CG PRO B 25 4.122 13.389 -12.686 1.00 0.00 C ATOM 590 CD PRO B 25 4.150 14.579 -11.738 1.00 0.00 C ATOM 0 HA PRO B 25 1.233 13.275 -11.045 1.00 0.00 H new ATOM 0 HB2 PRO B 25 2.750 11.742 -12.800 1.00 0.00 H new ATOM 0 HB3 PRO B 25 2.067 13.277 -13.297 1.00 0.00 H new ATOM 0 HG2 PRO B 25 4.876 12.652 -12.410 1.00 0.00 H new ATOM 0 HG3 PRO B 25 4.339 13.699 -13.708 1.00 0.00 H new ATOM 0 HD2 PRO B 25 5.132 14.702 -11.281 1.00 0.00 H new ATOM 0 HD3 PRO B 25 3.922 15.509 -12.258 1.00 0.00 H new ATOM 598 N LEU B 26 3.676 11.888 -9.532 1.00 0.00 N ATOM 599 CA LEU B 26 4.027 10.777 -8.659 1.00 0.00 C ATOM 600 C LEU B 26 3.001 10.626 -7.547 1.00 0.00 C ATOM 601 O LEU B 26 2.589 9.512 -7.215 1.00 0.00 O ATOM 602 CB LEU B 26 5.411 11.018 -8.047 1.00 0.00 C ATOM 603 CG LEU B 26 6.474 10.979 -9.150 1.00 0.00 C ATOM 604 CD1 LEU B 26 7.818 11.441 -8.581 1.00 0.00 C ATOM 605 CD2 LEU B 26 6.611 9.547 -9.701 1.00 0.00 C ATOM 0 H LEU B 26 4.352 12.652 -9.544 1.00 0.00 H new ATOM 0 HA LEU B 26 4.041 9.862 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU B 26 5.433 11.983 -7.541 1.00 0.00 H new ATOM 0 HB3 LEU B 26 5.625 10.258 -7.295 1.00 0.00 H new ATOM 0 HG LEU B 26 6.173 11.644 -9.960 1.00 0.00 H new ATOM 0 HD11 LEU B 26 8.574 11.413 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU B 26 7.723 12.459 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU B 26 8.115 10.780 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU B 26 7.369 9.530 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU B 26 6.906 8.874 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.655 9.223 -10.113 1.00 0.00 H new ATOM 617 N VAL B 27 2.589 11.750 -6.973 1.00 0.00 N ATOM 618 CA VAL B 27 1.607 11.729 -5.896 1.00 0.00 C ATOM 619 C VAL B 27 0.274 11.182 -6.395 1.00 0.00 C ATOM 620 O VAL B 27 -0.342 10.331 -5.751 1.00 0.00 O ATOM 621 CB VAL B 27 1.408 13.143 -5.344 1.00 0.00 C ATOM 622 CG1 VAL B 27 0.281 13.136 -4.309 1.00 0.00 C ATOM 623 CG2 VAL B 27 2.704 13.619 -4.682 1.00 0.00 C ATOM 0 H VAL B 27 2.916 12.680 -7.233 1.00 0.00 H new ATOM 0 HA VAL B 27 1.978 11.079 -5.104 1.00 0.00 H new ATOM 0 HB VAL B 27 1.146 13.816 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL B 27 0.141 14.143 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -0.642 12.798 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL B 27 0.541 12.462 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL B 27 2.563 14.626 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL B 27 2.965 12.944 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.507 13.626 -5.419 1.00 0.00 H new ATOM 633 N VAL B 28 -0.168 11.676 -7.545 1.00 0.00 N ATOM 634 CA VAL B 28 -1.431 11.233 -8.122 1.00 0.00 C ATOM 635 C VAL B 28 -1.349 9.763 -8.522 1.00 0.00 C ATOM 636 O VAL B 28 -2.278 8.992 -8.285 1.00 0.00 O ATOM 637 CB VAL B 28 -1.774 12.082 -9.346 1.00 0.00 C ATOM 638 CG1 VAL B 28 -3.044 11.538 -10.007 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.010 13.531 -8.912 1.00 0.00 C ATOM 0 H VAL B 28 0.326 12.380 -8.094 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.213 11.350 -7.372 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.948 12.043 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.288 12.144 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.880 10.506 -10.316 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.869 11.577 -9.296 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.255 14.137 -9.784 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.836 13.568 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.108 13.921 -8.441 1.00 0.00 H new ATOM 649 N ALA B 29 -0.237 9.388 -9.145 1.00 0.00 N ATOM 650 CA ALA B 29 -0.049 8.011 -9.586 1.00 0.00 C ATOM 651 C ALA B 29 -0.050 7.059 -8.397 1.00 0.00 C ATOM 652 O ALA B 29 -0.620 5.972 -8.463 1.00 0.00 O ATOM 653 CB ALA B 29 1.276 7.881 -10.342 1.00 0.00 C ATOM 0 H ALA B 29 0.542 10.012 -9.355 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.875 7.748 -10.247 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.409 6.849 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.265 8.538 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.099 8.163 -9.685 1.00 0.00 H new ATOM 659 N ALA B 30 0.593 7.474 -7.311 1.00 0.00 N ATOM 660 CA ALA B 30 0.661 6.644 -6.115 1.00 0.00 C ATOM 661 C ALA B 30 -0.739 6.324 -5.604 1.00 0.00 C ATOM 662 O ALA B 30 -1.027 5.185 -5.228 1.00 0.00 O ATOM 663 CB ALA B 30 1.451 7.368 -5.024 1.00 0.00 C ATOM 0 H ALA B 30 1.070 8.372 -7.234 1.00 0.00 H new ATOM 0 HA ALA B 30 1.163 5.711 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.498 6.742 -4.133 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.461 7.570 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.957 8.309 -4.781 1.00 0.00 H new ATOM 669 N ASN B 31 -1.606 7.330 -5.595 1.00 0.00 N ATOM 670 CA ASN B 31 -2.975 7.137 -5.128 1.00 0.00 C ATOM 671 C ASN B 31 -3.722 6.169 -6.042 1.00 0.00 C ATOM 672 O ASN B 31 -4.422 5.272 -5.574 1.00 0.00 O ATOM 673 CB ASN B 31 -3.708 8.480 -5.102 1.00 0.00 C ATOM 674 CG ASN B 31 -5.125 8.292 -4.568 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.723 7.230 -4.744 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.700 9.265 -3.916 1.00 0.00 N ATOM 0 H ASN B 31 -1.389 8.278 -5.902 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.941 6.718 -4.122 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.165 9.188 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.742 8.904 -6.105 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.645 9.146 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.204 10.144 -3.771 1.00 0.00 H new ATOM 683 N ILE B 32 -3.562 6.352 -7.348 1.00 0.00 N ATOM 684 CA ILE B 32 -4.229 5.493 -8.321 1.00 0.00 C ATOM 685 C ILE B 32 -3.764 4.048 -8.162 1.00 0.00 C ATOM 686 O ILE B 32 -4.566 3.118 -8.230 1.00 0.00 O ATOM 687 CB ILE B 32 -3.936 5.982 -9.741 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.605 7.343 -9.958 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.493 4.977 -10.753 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.083 7.964 -11.255 1.00 0.00 C ATOM 0 H ILE B 32 -2.980 7.083 -7.756 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.304 5.536 -8.144 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.859 6.077 -9.877 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.687 7.225 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.395 8.002 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.284 5.325 -11.764 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -4.022 4.006 -10.599 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.570 4.883 -10.617 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.558 8.933 -11.411 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.003 8.096 -11.186 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.316 7.306 -12.093 1.00 0.00 H new ATOM 702 N ILE B 33 -2.468 3.872 -7.966 1.00 0.00 N ATOM 703 CA ILE B 33 -1.905 2.539 -7.810 1.00 0.00 C ATOM 704 C ILE B 33 -2.497 1.850 -6.590 1.00 0.00 C ATOM 705 O ILE B 33 -2.804 0.658 -6.628 1.00 0.00 O ATOM 706 CB ILE B 33 -0.381 2.630 -7.666 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.230 3.137 -8.989 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.189 1.239 -7.343 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.444 1.969 -9.962 1.00 0.00 C ATOM 0 H ILE B 33 -1.788 4.630 -7.911 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.150 1.953 -8.696 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.134 3.321 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.429 3.879 -9.441 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.180 3.633 -8.792 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.272 1.304 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.242 0.877 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.058 0.548 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE B 33 0.876 2.343 -10.890 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.121 1.242 -9.514 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.513 1.491 -10.173 1.00 0.00 H new ATOM 721 N GLY B 34 -2.637 2.601 -5.505 1.00 0.00 N ATOM 722 CA GLY B 34 -3.179 2.044 -4.271 1.00 0.00 C ATOM 723 C GLY B 34 -4.523 1.369 -4.520 1.00 0.00 C ATOM 724 O GLY B 34 -4.712 0.199 -4.192 1.00 0.00 O ATOM 0 H GLY B 34 -2.386 3.588 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.477 1.322 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -3.297 2.836 -3.532 1.00 0.00 H new ATOM 728 N ILE B 35 -5.445 2.106 -5.120 1.00 0.00 N ATOM 729 CA ILE B 35 -6.763 1.563 -5.427 1.00 0.00 C ATOM 730 C ILE B 35 -6.656 0.423 -6.428 1.00 0.00 C ATOM 731 O ILE B 35 -7.357 -0.583 -6.307 1.00 0.00 O ATOM 732 CB ILE B 35 -7.677 2.666 -5.981 1.00 0.00 C ATOM 733 CG1 ILE B 35 -8.051 3.651 -4.850 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.951 2.047 -6.562 1.00 0.00 C ATOM 735 CD1 ILE B 35 -6.948 4.695 -4.679 1.00 0.00 C ATOM 0 H ILE B 35 -5.308 3.076 -5.403 1.00 0.00 H new ATOM 0 HA ILE B 35 -7.195 1.174 -4.505 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.148 3.202 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.995 4.143 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.196 3.107 -3.916 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.593 2.836 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.688 1.361 -7.367 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.480 1.502 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.220 5.385 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -6.012 4.197 -4.425 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -6.824 5.249 -5.610 1.00 0.00 H new ATOM 747 N LEU B 36 -5.809 0.604 -7.427 1.00 0.00 N ATOM 748 CA LEU B 36 -5.653 -0.405 -8.458 1.00 0.00 C ATOM 749 C LEU B 36 -5.251 -1.742 -7.843 1.00 0.00 C ATOM 750 O LEU B 36 -5.799 -2.792 -8.194 1.00 0.00 O ATOM 751 CB LEU B 36 -4.578 0.038 -9.461 1.00 0.00 C ATOM 752 CG LEU B 36 -4.357 -1.059 -10.510 1.00 0.00 C ATOM 753 CD1 LEU B 36 -5.689 -1.389 -11.202 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.347 -0.574 -11.549 1.00 0.00 C ATOM 0 H LEU B 36 -5.225 1.432 -7.545 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.607 -0.525 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.883 0.963 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.645 0.246 -8.938 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.974 -1.955 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.529 -2.169 -11.947 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.408 -1.738 -10.460 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.077 -0.495 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.190 -1.353 -12.295 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.729 0.323 -12.037 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.401 -0.345 -11.058 1.00 0.00 H new ATOM 766 N HIS B 37 -4.296 -1.698 -6.924 1.00 0.00 N ATOM 767 CA HIS B 37 -3.833 -2.908 -6.260 1.00 0.00 C ATOM 768 C HIS B 37 -4.972 -3.564 -5.490 1.00 0.00 C ATOM 769 O HIS B 37 -5.099 -4.788 -5.469 1.00 0.00 O ATOM 770 CB HIS B 37 -2.691 -2.577 -5.302 1.00 0.00 C ATOM 771 CG HIS B 37 -2.218 -3.836 -4.627 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.933 -4.327 -4.785 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.847 -4.717 -3.791 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.837 -5.455 -4.062 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.974 -5.739 -3.434 1.00 0.00 N ATOM 0 H HIS B 37 -3.829 -0.843 -6.623 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.476 -3.602 -7.021 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.869 -2.113 -5.847 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.026 -1.856 -4.556 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.871 -4.632 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.056 -6.059 -3.998 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.164 -6.533 -2.823 1.00 0.00 H new ATOM 783 N LEU B 38 -5.791 -2.746 -4.845 1.00 0.00 N ATOM 784 CA LEU B 38 -6.905 -3.263 -4.065 1.00 0.00 C ATOM 785 C LEU B 38 -7.855 -4.057 -4.942 1.00 0.00 C ATOM 786 O LEU B 38 -8.376 -5.076 -4.526 1.00 0.00 O ATOM 787 CB LEU B 38 -7.664 -2.097 -3.400 1.00 0.00 C ATOM 788 CG LEU B 38 -7.045 -1.782 -2.026 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.363 -0.345 -1.628 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.627 -2.740 -0.973 1.00 0.00 C ATOM 0 H LEU B 38 -5.706 -1.730 -4.846 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.508 -3.925 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.622 -1.214 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.716 -2.357 -3.283 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.964 -1.908 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.921 -0.131 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.952 0.338 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.444 -0.213 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.190 -2.519 0.001 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.708 -2.612 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.395 -3.769 -1.249 1.00 0.00 H new ATOM 802 N ILE B 39 -8.081 -3.578 -6.147 1.00 0.00 N ATOM 803 CA ILE B 39 -8.987 -4.259 -7.062 1.00 0.00 C ATOM 804 C ILE B 39 -8.475 -5.663 -7.366 1.00 0.00 C ATOM 805 O ILE B 39 -9.242 -6.624 -7.361 1.00 0.00 O ATOM 806 CB ILE B 39 -9.097 -3.462 -8.366 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.818 -2.138 -8.094 1.00 0.00 C ATOM 808 CG2 ILE B 39 -9.889 -4.270 -9.400 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.735 -1.246 -9.335 1.00 0.00 C ATOM 0 H ILE B 39 -7.657 -2.728 -6.518 1.00 0.00 H new ATOM 0 HA ILE B 39 -9.969 -4.333 -6.594 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.098 -3.262 -8.752 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.861 -2.326 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.365 -1.634 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -9.965 -3.700 -10.326 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.377 -5.212 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -10.889 -4.473 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.248 -0.304 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.690 -1.048 -9.571 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.208 -1.750 -10.178 1.00 0.00 H new ATOM 821 N LEU B 40 -7.181 -5.773 -7.633 1.00 0.00 N ATOM 822 CA LEU B 40 -6.583 -7.072 -7.933 1.00 0.00 C ATOM 823 C LEU B 40 -6.483 -7.928 -6.675 1.00 0.00 C ATOM 824 O LEU B 40 -6.761 -9.128 -6.704 1.00 0.00 O ATOM 825 CB LEU B 40 -5.193 -6.875 -8.537 1.00 0.00 C ATOM 826 CG LEU B 40 -5.277 -5.887 -9.703 1.00 0.00 C ATOM 827 CD1 LEU B 40 -3.877 -5.653 -10.276 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.187 -6.458 -10.799 1.00 0.00 C ATOM 0 H LEU B 40 -6.529 -4.989 -7.649 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.222 -7.588 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.505 -6.501 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.797 -7.830 -8.883 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.688 -4.943 -9.346 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -3.937 -4.949 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.230 -5.244 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.466 -6.598 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.245 -5.753 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.778 -7.404 -11.155 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.185 -6.624 -10.393 1.00 0.00 H new ATOM 840 N TRP B 41 -6.068 -7.303 -5.576 1.00 0.00 N ATOM 841 CA TRP B 41 -5.922 -8.012 -4.314 1.00 0.00 C ATOM 842 C TRP B 41 -7.276 -8.466 -3.789 1.00 0.00 C ATOM 843 O TRP B 41 -7.404 -9.559 -3.235 1.00 0.00 O ATOM 844 CB TRP B 41 -5.219 -7.131 -3.289 1.00 0.00 C ATOM 845 CG TRP B 41 -5.211 -7.832 -1.967 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.332 -8.800 -1.607 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.043 -7.583 -0.798 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.623 -9.203 -0.317 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.656 -8.470 0.226 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.096 -6.691 -0.537 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.289 -8.471 1.464 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.731 -6.683 0.713 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.330 -7.576 1.708 1.00 0.00 C ATOM 0 H TRP B 41 -5.829 -6.312 -5.537 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.311 -8.898 -4.488 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.199 -6.921 -3.610 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.730 -6.172 -3.203 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.537 -9.191 -2.225 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.133 -9.951 0.173 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.419 -6.005 -1.306 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.976 -9.162 2.233 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.532 -5.985 0.906 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.826 -7.574 2.667 1.00 0.00 H new ATOM 864 N ILE B 42 -8.277 -7.618 -3.958 1.00 0.00 N ATOM 865 CA ILE B 42 -9.618 -7.940 -3.498 1.00 0.00 C ATOM 866 C ILE B 42 -10.156 -9.157 -4.245 1.00 0.00 C ATOM 867 O ILE B 42 -10.726 -10.063 -3.641 1.00 0.00 O ATOM 868 CB ILE B 42 -10.550 -6.736 -3.716 1.00 0.00 C ATOM 869 CG1 ILE B 42 -10.305 -5.690 -2.624 1.00 0.00 C ATOM 870 CG2 ILE B 42 -12.012 -7.192 -3.663 1.00 0.00 C ATOM 871 CD1 ILE B 42 -10.951 -4.367 -3.027 1.00 0.00 C ATOM 0 H ILE B 42 -8.188 -6.707 -4.407 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.577 -8.172 -2.434 1.00 0.00 H new ATOM 0 HB ILE B 42 -10.343 -6.299 -4.693 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -10.719 -6.035 -1.677 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -9.234 -5.552 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -12.667 -6.334 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -12.191 -7.931 -4.444 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -12.220 -7.635 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -10.775 -3.624 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.516 -4.020 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.024 -4.510 -3.156 1.00 0.00 H new ATOM 883 N LEU B 43 -9.987 -9.156 -5.560 1.00 0.00 N ATOM 884 CA LEU B 43 -10.469 -10.259 -6.381 1.00 0.00 C ATOM 885 C LEU B 43 -9.753 -11.547 -6.015 1.00 0.00 C ATOM 886 O LEU B 43 -10.364 -12.614 -5.950 1.00 0.00 O ATOM 887 CB LEU B 43 -10.244 -9.945 -7.861 1.00 0.00 C ATOM 888 CG LEU B 43 -11.177 -8.809 -8.295 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.742 -8.287 -9.666 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.629 -9.320 -8.376 1.00 0.00 C ATOM 0 H LEU B 43 -9.523 -8.410 -6.079 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.536 -10.387 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.205 -9.660 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.432 -10.833 -8.464 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.123 -8.004 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.405 -7.479 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.720 -7.914 -9.606 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.791 -9.096 -10.395 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.285 -8.506 -8.685 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.690 -10.130 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -12.941 -9.686 -7.398 1.00 0.00 H new ATOM 902 N ASP B 44 -8.450 -11.446 -5.780 1.00 0.00 N ATOM 903 CA ASP B 44 -7.654 -12.615 -5.428 1.00 0.00 C ATOM 904 C ASP B 44 -8.221 -13.289 -4.183 1.00 0.00 C ATOM 905 O ASP B 44 -8.322 -14.513 -4.122 1.00 0.00 O ATOM 906 CB ASP B 44 -6.204 -12.198 -5.168 1.00 0.00 C ATOM 907 CG ASP B 44 -5.352 -13.429 -4.877 1.00 0.00 C ATOM 908 OD1 ASP B 44 -5.916 -14.508 -4.790 1.00 0.00 O ATOM 909 OD2 ASP B 44 -4.149 -13.276 -4.752 1.00 0.00 O ATOM 0 H ASP B 44 -7.925 -10.573 -5.826 1.00 0.00 H new ATOM 0 HA ASP B 44 -7.686 -13.320 -6.258 1.00 0.00 H new ATOM 0 HB2 ASP B 44 -5.808 -11.668 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP B 44 -6.161 -11.508 -4.325 1.00 0.00 H new ATOM 914 N ARG B 45 -8.593 -12.481 -3.194 1.00 0.00 N ATOM 915 CA ARG B 45 -9.154 -13.014 -1.959 1.00 0.00 C ATOM 916 C ARG B 45 -10.468 -13.737 -2.237 1.00 0.00 C ATOM 917 O ARG B 45 -10.715 -14.824 -1.715 1.00 0.00 O ATOM 918 CB ARG B 45 -9.393 -11.880 -0.961 1.00 0.00 C ATOM 919 CG ARG B 45 -9.901 -12.458 0.362 1.00 0.00 C ATOM 920 CD ARG B 45 -10.089 -11.329 1.375 1.00 0.00 C ATOM 921 NE ARG B 45 -10.437 -11.876 2.681 1.00 0.00 N ATOM 922 CZ ARG B 45 -10.952 -11.107 3.634 1.00 0.00 C ATOM 923 NH1 ARG B 45 -11.155 -9.838 3.408 1.00 0.00 N ATOM 924 NH2 ARG B 45 -11.256 -11.620 4.796 1.00 0.00 N ATOM 0 H ARG B 45 -8.517 -11.464 -3.224 1.00 0.00 H new ATOM 0 HA ARG B 45 -8.444 -13.725 -1.536 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -8.469 -11.326 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -10.120 -11.175 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -10.845 -12.980 0.204 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -9.192 -13.191 0.747 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -9.173 -10.743 1.451 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -10.873 -10.653 1.035 1.00 0.00 H new ATOM 0 HE ARG B 45 -10.282 -12.867 2.866 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -10.918 -9.437 2.500 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -11.550 -9.247 4.139 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -11.098 -12.612 4.973 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -11.651 -11.029 5.527 1.00 0.00 H new ATOM 938 N LEU B 46 -11.314 -13.125 -3.058 1.00 0.00 N ATOM 939 CA LEU B 46 -12.601 -13.726 -3.388 1.00 0.00 C ATOM 940 C LEU B 46 -12.412 -15.045 -4.120 1.00 0.00 C ATOM 941 O LEU B 46 -13.087 -16.029 -3.823 1.00 0.00 O ATOM 942 CB LEU B 46 -13.405 -12.757 -4.272 1.00 0.00 C ATOM 943 CG LEU B 46 -14.062 -11.674 -3.393 1.00 0.00 C ATOM 944 CD1 LEU B 46 -14.260 -10.398 -4.212 1.00 0.00 C ATOM 945 CD2 LEU B 46 -15.426 -12.176 -2.903 1.00 0.00 C ATOM 0 H LEU B 46 -11.136 -12.224 -3.502 1.00 0.00 H new ATOM 0 HA LEU B 46 -13.142 -13.921 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -12.749 -12.293 -5.009 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -14.169 -13.303 -4.825 1.00 0.00 H new ATOM 0 HG LEU B 46 -13.418 -11.462 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -14.725 -9.634 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -13.294 -10.039 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -14.903 -10.610 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -15.893 -11.412 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -16.065 -12.387 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -15.290 -13.086 -2.319 1.00 0.00 H new ATOM 957 N PHE B 47 -11.506 -15.052 -5.086 1.00 0.00 N ATOM 958 CA PHE B 47 -11.246 -16.255 -5.863 1.00 0.00 C ATOM 959 C PHE B 47 -10.543 -17.299 -5.013 1.00 0.00 C ATOM 960 O PHE B 47 -10.918 -18.471 -5.021 1.00 0.00 O ATOM 961 CB PHE B 47 -10.381 -15.912 -7.085 1.00 0.00 C ATOM 962 CG PHE B 47 -11.255 -15.361 -8.190 1.00 0.00 C ATOM 963 CD1 PHE B 47 -12.091 -14.264 -7.944 1.00 0.00 C ATOM 964 CD2 PHE B 47 -11.234 -15.949 -9.461 1.00 0.00 C ATOM 965 CE1 PHE B 47 -12.902 -13.758 -8.960 1.00 0.00 C ATOM 966 CE2 PHE B 47 -12.045 -15.442 -10.480 1.00 0.00 C ATOM 967 CZ PHE B 47 -12.879 -14.347 -10.230 1.00 0.00 C ATOM 0 H PHE B 47 -10.942 -14.244 -5.350 1.00 0.00 H new ATOM 0 HA PHE B 47 -12.200 -16.663 -6.198 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -9.621 -15.181 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -9.856 -16.802 -7.433 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -12.108 -13.809 -6.965 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -10.591 -16.795 -9.654 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -13.547 -12.913 -8.767 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -12.028 -15.895 -11.460 1.00 0.00 H new ATOM 0 HZ PHE B 47 -13.506 -13.956 -11.018 1.00 0.00 H new ATOM 977 N PHE B 48 -9.511 -16.874 -4.291 1.00 0.00 N ATOM 978 CA PHE B 48 -8.750 -17.790 -3.443 1.00 0.00 C ATOM 979 C PHE B 48 -8.550 -17.192 -2.060 1.00 0.00 C ATOM 980 O PHE B 48 -8.432 -15.982 -1.910 1.00 0.00 O ATOM 981 CB PHE B 48 -7.388 -18.072 -4.080 1.00 0.00 C ATOM 982 CG PHE B 48 -7.565 -18.335 -5.561 1.00 0.00 C ATOM 983 CD1 PHE B 48 -8.452 -19.328 -5.996 1.00 0.00 C ATOM 984 CD2 PHE B 48 -6.844 -17.582 -6.499 1.00 0.00 C ATOM 985 CE1 PHE B 48 -8.618 -19.565 -7.364 1.00 0.00 C ATOM 986 CE2 PHE B 48 -7.011 -17.820 -7.866 1.00 0.00 C ATOM 987 CZ PHE B 48 -7.897 -18.814 -8.299 1.00 0.00 C ATOM 0 H PHE B 48 -9.183 -15.908 -4.274 1.00 0.00 H new ATOM 0 HA PHE B 48 -9.309 -18.721 -3.347 1.00 0.00 H new ATOM 0 HB2 PHE B 48 -6.721 -17.223 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE B 48 -6.922 -18.933 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE B 48 -9.007 -19.910 -5.275 1.00 0.00 H new ATOM 0 HD2 PHE B 48 -6.159 -16.817 -6.165 1.00 0.00 H new ATOM 0 HE1 PHE B 48 -9.304 -20.329 -7.700 1.00 0.00 H new ATOM 0 HE2 PHE B 48 -6.457 -17.238 -8.588 1.00 0.00 H new ATOM 0 HZ PHE B 48 -8.024 -19.001 -9.355 1.00 0.00 H new ATOM 997 N LYS B 49 -8.512 -18.051 -1.049 1.00 0.00 N ATOM 998 CA LYS B 49 -8.326 -17.597 0.325 1.00 0.00 C ATOM 999 C LYS B 49 -6.848 -17.369 0.621 1.00 0.00 C ATOM 1000 O LYS B 49 -6.353 -16.305 0.284 1.00 0.00 O ATOM 1001 CB LYS B 49 -8.890 -18.633 1.299 1.00 0.00 C ATOM 1002 CG LYS B 49 -10.413 -18.687 1.161 1.00 0.00 C ATOM 1003 CD LYS B 49 -10.978 -19.715 2.143 1.00 0.00 C ATOM 1004 CE LYS B 49 -12.500 -19.782 1.994 1.00 0.00 C ATOM 1005 NZ LYS B 49 -13.048 -20.792 2.944 1.00 0.00 N ATOM 1006 OXT LYS B 49 -6.232 -18.261 1.180 1.00 0.00 O ATOM 0 H LYS B 49 -8.607 -19.061 -1.153 1.00 0.00 H new ATOM 0 HA LYS B 49 -8.858 -16.654 0.450 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -8.461 -19.613 1.093 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -8.616 -18.374 2.322 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.842 -17.705 1.359 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.687 -18.954 0.140 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.540 -20.695 1.952 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.714 -19.441 3.164 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -12.939 -18.804 2.193 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -12.765 -20.048 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -14.082 -20.838 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -12.638 -21.724 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -12.807 -20.519 3.918 1.00 0.00 H new TER 1020 LYS B 49 ATOM 1021 N SER C 19 17.950 19.676 2.629 1.00 0.00 N ATOM 1022 CA SER C 19 18.043 21.162 2.673 1.00 0.00 C ATOM 1023 C SER C 19 16.859 21.764 1.926 1.00 0.00 C ATOM 1024 O SER C 19 16.426 22.877 2.223 1.00 0.00 O ATOM 1025 CB SER C 19 19.352 21.609 2.019 1.00 0.00 C ATOM 1026 OG SER C 19 20.439 21.270 2.870 1.00 0.00 O ATOM 0 HA SER C 19 18.025 21.501 3.709 1.00 0.00 H new ATOM 0 HB2 SER C 19 19.471 21.127 1.048 1.00 0.00 H new ATOM 0 HB3 SER C 19 19.335 22.684 1.841 1.00 0.00 H new ATOM 0 HG SER C 19 20.304 20.368 3.230 1.00 0.00 H new ATOM 1034 N ASN C 20 16.341 21.024 0.950 1.00 0.00 N ATOM 1035 CA ASN C 20 15.207 21.497 0.160 1.00 0.00 C ATOM 1036 C ASN C 20 13.894 21.108 0.826 1.00 0.00 C ATOM 1037 O ASN C 20 13.581 19.925 0.964 1.00 0.00 O ATOM 1038 CB ASN C 20 15.264 20.899 -1.246 1.00 0.00 C ATOM 1039 CG ASN C 20 14.184 21.526 -2.121 1.00 0.00 C ATOM 1040 OD1 ASN C 20 13.366 22.308 -1.635 1.00 0.00 O ATOM 1041 ND2 ASN C 20 14.134 21.230 -3.392 1.00 0.00 N ATOM 0 H ASN C 20 16.685 20.100 0.688 1.00 0.00 H new ATOM 0 HA ASN C 20 15.261 22.584 0.094 1.00 0.00 H new ATOM 0 HB2 ASN C 20 16.246 21.073 -1.685 1.00 0.00 H new ATOM 0 HB3 ASN C 20 15.123 19.819 -1.197 1.00 0.00 H new ATOM 0 HD21 ASN C 20 13.416 21.647 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN C 20 14.813 20.582 -3.792 1.00 0.00 H new ATOM 1048 N ASP C 21 13.127 22.111 1.243 1.00 0.00 N ATOM 1049 CA ASP C 21 11.844 21.863 1.898 1.00 0.00 C ATOM 1050 C ASP C 21 10.718 21.822 0.868 1.00 0.00 C ATOM 1051 O ASP C 21 9.552 21.651 1.220 1.00 0.00 O ATOM 1052 CB ASP C 21 11.561 22.963 2.922 1.00 0.00 C ATOM 1053 CG ASP C 21 11.652 24.332 2.260 1.00 0.00 C ATOM 1054 OD1 ASP C 21 11.714 24.375 1.042 1.00 0.00 O ATOM 1055 OD2 ASP C 21 11.658 25.317 2.979 1.00 0.00 O ATOM 0 H ASP C 21 13.368 23.097 1.141 1.00 0.00 H new ATOM 0 HA ASP C 21 11.894 20.899 2.405 1.00 0.00 H new ATOM 0 HB2 ASP C 21 10.569 22.824 3.352 1.00 0.00 H new ATOM 0 HB3 ASP C 21 12.276 22.899 3.742 1.00 0.00 H new ATOM 1060 N SER C 22 11.078 21.978 -0.402 1.00 0.00 N ATOM 1061 CA SER C 22 10.086 21.959 -1.472 1.00 0.00 C ATOM 1062 C SER C 22 9.366 20.616 -1.510 1.00 0.00 C ATOM 1063 O SER C 22 8.147 20.559 -1.666 1.00 0.00 O ATOM 1064 CB SER C 22 10.767 22.207 -2.817 1.00 0.00 C ATOM 1065 OG SER C 22 11.749 21.203 -3.038 1.00 0.00 O ATOM 0 H SER C 22 12.039 22.118 -0.714 1.00 0.00 H new ATOM 0 HA SER C 22 9.357 22.746 -1.280 1.00 0.00 H new ATOM 0 HB2 SER C 22 10.029 22.193 -3.619 1.00 0.00 H new ATOM 0 HB3 SER C 22 11.230 23.194 -2.827 1.00 0.00 H new ATOM 0 HG SER C 22 11.627 20.816 -3.930 1.00 0.00 H new ATOM 1071 N SER C 23 10.126 19.534 -1.357 1.00 0.00 N ATOM 1072 CA SER C 23 9.546 18.195 -1.369 1.00 0.00 C ATOM 1073 C SER C 23 10.407 17.233 -0.560 1.00 0.00 C ATOM 1074 O SER C 23 11.594 17.064 -0.836 1.00 0.00 O ATOM 1075 CB SER C 23 9.426 17.692 -2.806 1.00 0.00 C ATOM 1076 OG SER C 23 8.476 18.488 -3.504 1.00 0.00 O ATOM 0 H SER C 23 11.137 19.558 -1.224 1.00 0.00 H new ATOM 0 HA SER C 23 8.555 18.243 -0.918 1.00 0.00 H new ATOM 0 HB2 SER C 23 10.395 17.742 -3.303 1.00 0.00 H new ATOM 0 HB3 SER C 23 9.117 16.647 -2.813 1.00 0.00 H new ATOM 0 HG SER C 23 8.145 19.196 -2.913 1.00 0.00 H new ATOM 1082 N ASP C 24 9.799 16.603 0.441 1.00 0.00 N ATOM 1083 CA ASP C 24 10.520 15.667 1.281 1.00 0.00 C ATOM 1084 C ASP C 24 10.711 14.329 0.562 1.00 0.00 C ATOM 1085 O ASP C 24 9.875 13.930 -0.252 1.00 0.00 O ATOM 1086 CB ASP C 24 9.757 15.434 2.594 1.00 0.00 C ATOM 1087 CG ASP C 24 9.985 16.607 3.541 1.00 0.00 C ATOM 1088 OD1 ASP C 24 9.865 17.735 3.091 1.00 0.00 O ATOM 1089 OD2 ASP C 24 10.283 16.360 4.698 1.00 0.00 O ATOM 0 H ASP C 24 8.816 16.726 0.685 1.00 0.00 H new ATOM 0 HA ASP C 24 11.498 16.095 1.500 1.00 0.00 H new ATOM 0 HB2 ASP C 24 8.692 15.321 2.391 1.00 0.00 H new ATOM 0 HB3 ASP C 24 10.093 14.508 3.061 1.00 0.00 H new ATOM 1094 N PRO C 25 11.780 13.633 0.853 1.00 0.00 N ATOM 1095 CA PRO C 25 12.076 12.311 0.231 1.00 0.00 C ATOM 1096 C PRO C 25 11.089 11.234 0.673 1.00 0.00 C ATOM 1097 O PRO C 25 10.969 10.190 0.033 1.00 0.00 O ATOM 1098 CB PRO C 25 13.502 11.993 0.714 1.00 0.00 C ATOM 1099 CG PRO C 25 13.673 12.777 1.978 1.00 0.00 C ATOM 1100 CD PRO C 25 12.826 14.029 1.814 1.00 0.00 C ATOM 0 HA PRO C 25 11.989 12.338 -0.855 1.00 0.00 H new ATOM 0 HB2 PRO C 25 13.628 10.925 0.893 1.00 0.00 H new ATOM 0 HB3 PRO C 25 14.243 12.281 -0.031 1.00 0.00 H new ATOM 0 HG2 PRO C 25 13.349 12.198 2.843 1.00 0.00 H new ATOM 0 HG3 PRO C 25 14.720 13.033 2.139 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.395 14.346 2.764 1.00 0.00 H new ATOM 0 HD3 PRO C 25 13.417 14.864 1.438 1.00 0.00 H new ATOM 1108 N LEU C 26 10.405 11.484 1.782 1.00 0.00 N ATOM 1109 CA LEU C 26 9.449 10.519 2.307 1.00 0.00 C ATOM 1110 C LEU C 26 8.316 10.294 1.319 1.00 0.00 C ATOM 1111 O LEU C 26 7.895 9.158 1.092 1.00 0.00 O ATOM 1112 CB LEU C 26 8.875 11.028 3.634 1.00 0.00 C ATOM 1113 CG LEU C 26 9.984 11.064 4.693 1.00 0.00 C ATOM 1114 CD1 LEU C 26 9.467 11.772 5.949 1.00 0.00 C ATOM 1115 CD2 LEU C 26 10.416 9.629 5.053 1.00 0.00 C ATOM 0 H LEU C 26 10.493 12.339 2.331 1.00 0.00 H new ATOM 0 HA LEU C 26 9.967 9.573 2.469 1.00 0.00 H new ATOM 0 HB2 LEU C 26 8.452 12.024 3.501 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.064 10.379 3.964 1.00 0.00 H new ATOM 0 HG LEU C 26 10.842 11.605 4.294 1.00 0.00 H new ATOM 0 HD11 LEU C 26 10.254 11.798 6.702 1.00 0.00 H new ATOM 0 HD12 LEU C 26 9.172 12.791 5.697 1.00 0.00 H new ATOM 0 HD13 LEU C 26 8.606 11.232 6.343 1.00 0.00 H new ATOM 0 HD21 LEU C 26 11.204 9.664 5.806 1.00 0.00 H new ATOM 0 HD22 LEU C 26 9.561 9.080 5.448 1.00 0.00 H new ATOM 0 HD23 LEU C 26 10.789 9.127 4.161 1.00 0.00 H new ATOM 1127 N VAL C 27 7.826 11.378 0.733 1.00 0.00 N ATOM 1128 CA VAL C 27 6.737 11.285 -0.233 1.00 0.00 C ATOM 1129 C VAL C 27 7.178 10.499 -1.464 1.00 0.00 C ATOM 1130 O VAL C 27 6.460 9.621 -1.943 1.00 0.00 O ATOM 1131 CB VAL C 27 6.290 12.689 -0.648 1.00 0.00 C ATOM 1132 CG1 VAL C 27 5.232 12.583 -1.749 1.00 0.00 C ATOM 1133 CG2 VAL C 27 5.693 13.412 0.561 1.00 0.00 C ATOM 0 H VAL C 27 8.161 12.326 0.907 1.00 0.00 H new ATOM 0 HA VAL C 27 5.902 10.762 0.234 1.00 0.00 H new ATOM 0 HB VAL C 27 7.149 13.248 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL C 27 4.913 13.583 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL C 27 5.654 12.067 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL C 27 4.374 12.024 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL C 27 5.374 14.412 0.266 1.00 0.00 H new ATOM 0 HG22 VAL C 27 4.834 12.852 0.932 1.00 0.00 H new ATOM 0 HG23 VAL C 27 6.444 13.488 1.347 1.00 0.00 H new ATOM 1143 N VAL C 28 8.360 10.827 -1.975 1.00 0.00 N ATOM 1144 CA VAL C 28 8.885 10.149 -3.152 1.00 0.00 C ATOM 1145 C VAL C 28 9.170 8.684 -2.843 1.00 0.00 C ATOM 1146 O VAL C 28 8.866 7.799 -3.642 1.00 0.00 O ATOM 1147 CB VAL C 28 10.167 10.838 -3.625 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.773 10.050 -4.790 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.841 12.260 -4.088 1.00 0.00 C ATOM 0 H VAL C 28 8.968 11.553 -1.595 1.00 0.00 H new ATOM 0 HA VAL C 28 8.137 10.200 -3.943 1.00 0.00 H new ATOM 0 HB VAL C 28 10.881 10.877 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.686 10.542 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.006 9.037 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.059 10.010 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.754 12.751 -4.425 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.126 12.220 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.411 12.823 -3.260 1.00 0.00 H new ATOM 1159 N ALA C 29 9.772 8.437 -1.683 1.00 0.00 N ATOM 1160 CA ALA C 29 10.106 7.077 -1.283 1.00 0.00 C ATOM 1161 C ALA C 29 8.845 6.234 -1.135 1.00 0.00 C ATOM 1162 O ALA C 29 8.818 5.069 -1.527 1.00 0.00 O ATOM 1163 CB ALA C 29 10.865 7.096 0.046 1.00 0.00 C ATOM 0 H ALA C 29 10.036 9.156 -1.009 1.00 0.00 H new ATOM 0 HA ALA C 29 10.734 6.637 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.111 6.075 0.339 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.783 7.673 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.242 7.553 0.814 1.00 0.00 H new ATOM 1169 N ALA C 30 7.802 6.831 -0.570 1.00 0.00 N ATOM 1170 CA ALA C 30 6.545 6.120 -0.372 1.00 0.00 C ATOM 1171 C ALA C 30 5.992 5.627 -1.705 1.00 0.00 C ATOM 1172 O ALA C 30 5.533 4.490 -1.813 1.00 0.00 O ATOM 1173 CB ALA C 30 5.525 7.043 0.295 1.00 0.00 C ATOM 0 H ALA C 30 7.801 7.797 -0.243 1.00 0.00 H new ATOM 0 HA ALA C 30 6.733 5.260 0.270 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.588 6.505 0.440 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.908 7.371 1.261 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.350 7.912 -0.340 1.00 0.00 H new ATOM 1179 N ASN C 31 6.042 6.489 -2.717 1.00 0.00 N ATOM 1180 CA ASN C 31 5.544 6.124 -4.037 1.00 0.00 C ATOM 1181 C ASN C 31 6.369 4.984 -4.627 1.00 0.00 C ATOM 1182 O ASN C 31 5.824 4.033 -5.184 1.00 0.00 O ATOM 1183 CB ASN C 31 5.607 7.336 -4.969 1.00 0.00 C ATOM 1184 CG ASN C 31 5.053 6.971 -6.343 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.151 5.820 -6.771 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.468 7.887 -7.065 1.00 0.00 N ATOM 0 H ASN C 31 6.418 7.435 -2.649 1.00 0.00 H new ATOM 0 HA ASN C 31 4.510 5.793 -3.936 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.034 8.161 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.637 7.679 -5.063 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.092 7.650 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.386 8.840 -6.711 1.00 0.00 H new ATOM 1193 N ILE C 32 7.686 5.083 -4.493 1.00 0.00 N ATOM 1194 CA ILE C 32 8.579 4.055 -5.018 1.00 0.00 C ATOM 1195 C ILE C 32 8.313 2.719 -4.333 1.00 0.00 C ATOM 1196 O ILE C 32 8.290 1.672 -4.979 1.00 0.00 O ATOM 1197 CB ILE C 32 10.037 4.469 -4.805 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.356 5.680 -5.687 1.00 0.00 C ATOM 1199 CG2 ILE C 32 10.960 3.309 -5.185 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.708 6.266 -5.279 1.00 0.00 C ATOM 0 H ILE C 32 8.158 5.859 -4.029 1.00 0.00 H new ATOM 0 HA ILE C 32 8.392 3.944 -6.086 1.00 0.00 H new ATOM 0 HB ILE C 32 10.191 4.728 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.378 5.384 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.575 6.434 -5.585 1.00 0.00 H new ATOM 0 HG21 ILE C 32 11.998 3.605 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.734 2.445 -4.561 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.806 3.050 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.935 7.128 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.670 6.577 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.484 5.511 -5.404 1.00 0.00 H new ATOM 1212 N ILE C 33 8.127 2.762 -3.023 1.00 0.00 N ATOM 1213 CA ILE C 33 7.875 1.548 -2.259 1.00 0.00 C ATOM 1214 C ILE C 33 6.598 0.874 -2.736 1.00 0.00 C ATOM 1215 O ILE C 33 6.542 -0.348 -2.862 1.00 0.00 O ATOM 1216 CB ILE C 33 7.755 1.888 -0.767 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.121 2.371 -0.240 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.321 0.635 0.011 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.991 1.172 0.165 1.00 0.00 C ATOM 0 H ILE C 33 8.145 3.618 -2.469 1.00 0.00 H new ATOM 0 HA ILE C 33 8.709 0.863 -2.409 1.00 0.00 H new ATOM 0 HB ILE C 33 7.013 2.675 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE C 33 9.629 2.954 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE C 33 8.976 3.029 0.617 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.236 0.876 1.071 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.356 0.291 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.063 -0.152 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.952 1.528 0.535 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.488 0.606 0.949 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.151 0.530 -0.701 1.00 0.00 H new ATOM 1231 N GLY C 34 5.571 1.676 -2.981 1.00 0.00 N ATOM 1232 CA GLY C 34 4.289 1.141 -3.431 1.00 0.00 C ATOM 1233 C GLY C 34 4.468 0.243 -4.650 1.00 0.00 C ATOM 1234 O GLY C 34 4.056 -0.915 -4.648 1.00 0.00 O ATOM 0 H GLY C 34 5.597 2.690 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.824 0.575 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.614 1.961 -3.675 1.00 0.00 H new ATOM 1238 N ILE C 35 5.103 0.778 -5.681 1.00 0.00 N ATOM 1239 CA ILE C 35 5.346 0.011 -6.897 1.00 0.00 C ATOM 1240 C ILE C 35 6.255 -1.175 -6.613 1.00 0.00 C ATOM 1241 O ILE C 35 6.046 -2.266 -7.145 1.00 0.00 O ATOM 1242 CB ILE C 35 5.972 0.907 -7.975 1.00 0.00 C ATOM 1243 CG1 ILE C 35 4.917 1.911 -8.498 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.483 0.051 -9.136 1.00 0.00 C ATOM 1245 CD1 ILE C 35 4.857 3.131 -7.582 1.00 0.00 C ATOM 0 H ILE C 35 5.458 1.734 -5.703 1.00 0.00 H new ATOM 0 HA ILE C 35 4.390 -0.365 -7.260 1.00 0.00 H new ATOM 0 HB ILE C 35 6.808 1.454 -7.539 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.169 2.220 -9.513 1.00 0.00 H new ATOM 0 HG13 ILE C 35 3.939 1.432 -8.544 1.00 0.00 H new ATOM 0 HG21 ILE C 35 6.925 0.695 -9.896 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.235 -0.647 -8.770 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.653 -0.505 -9.571 1.00 0.00 H new ATOM 0 HD11 ILE C 35 4.112 3.832 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE C 35 4.584 2.817 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE C 35 5.833 3.617 -7.558 1.00 0.00 H new ATOM 1257 N LEU C 36 7.279 -0.942 -5.808 1.00 0.00 N ATOM 1258 CA LEU C 36 8.228 -1.994 -5.498 1.00 0.00 C ATOM 1259 C LEU C 36 7.518 -3.198 -4.888 1.00 0.00 C ATOM 1260 O LEU C 36 7.774 -4.345 -5.269 1.00 0.00 O ATOM 1261 CB LEU C 36 9.279 -1.469 -4.509 1.00 0.00 C ATOM 1262 CG LEU C 36 10.238 -2.601 -4.114 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.884 -3.193 -5.375 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.326 -2.049 -3.194 1.00 0.00 C ATOM 0 H LEU C 36 7.472 -0.045 -5.363 1.00 0.00 H new ATOM 0 HA LEU C 36 8.713 -2.304 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.837 -0.649 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU C 36 8.788 -1.070 -3.621 1.00 0.00 H new ATOM 0 HG LEU C 36 9.682 -3.381 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.564 -3.996 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.108 -3.589 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.439 -2.415 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.007 -2.852 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU C 36 11.881 -1.268 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.867 -1.632 -2.297 1.00 0.00 H new ATOM 1276 N HIS C 37 6.622 -2.933 -3.947 1.00 0.00 N ATOM 1277 CA HIS C 37 5.871 -4.000 -3.297 1.00 0.00 C ATOM 1278 C HIS C 37 5.029 -4.756 -4.315 1.00 0.00 C ATOM 1279 O HIS C 37 4.897 -5.978 -4.243 1.00 0.00 O ATOM 1280 CB HIS C 37 4.968 -3.418 -2.211 1.00 0.00 C ATOM 1281 CG HIS C 37 4.202 -4.531 -1.548 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.346 -4.838 -0.207 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.277 -5.418 -2.033 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.528 -5.872 0.061 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.853 -6.261 -1.015 1.00 0.00 N ATOM 0 H HIS C 37 6.398 -1.994 -3.618 1.00 0.00 H new ATOM 0 HA HIS C 37 6.579 -4.693 -2.843 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.566 -2.884 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.278 -2.695 -2.646 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.930 -5.456 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.432 -6.331 1.034 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.170 -7.016 -1.079 1.00 0.00 H new ATOM 1293 N LEU C 38 4.451 -4.024 -5.258 1.00 0.00 N ATOM 1294 CA LEU C 38 3.616 -4.641 -6.278 1.00 0.00 C ATOM 1295 C LEU C 38 4.414 -5.643 -7.092 1.00 0.00 C ATOM 1296 O LEU C 38 3.908 -6.695 -7.446 1.00 0.00 O ATOM 1297 CB LEU C 38 3.040 -3.555 -7.207 1.00 0.00 C ATOM 1298 CG LEU C 38 1.692 -3.053 -6.657 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.401 -1.657 -7.192 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.572 -4.011 -7.098 1.00 0.00 C ATOM 0 H LEU C 38 4.544 -3.011 -5.337 1.00 0.00 H new ATOM 0 HA LEU C 38 2.799 -5.168 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.741 -2.724 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.905 -3.957 -8.211 1.00 0.00 H new ATOM 0 HG LEU C 38 1.740 -3.018 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.446 -1.308 -6.799 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.192 -0.976 -6.880 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.356 -1.687 -8.281 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.383 -3.657 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.531 -4.046 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.774 -5.010 -6.711 1.00 0.00 H new ATOM 1312 N ILE C 39 5.650 -5.304 -7.394 1.00 0.00 N ATOM 1313 CA ILE C 39 6.493 -6.189 -8.184 1.00 0.00 C ATOM 1314 C ILE C 39 6.688 -7.517 -7.461 1.00 0.00 C ATOM 1315 O ILE C 39 6.598 -8.581 -8.070 1.00 0.00 O ATOM 1316 CB ILE C 39 7.856 -5.529 -8.418 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.686 -4.318 -9.340 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.812 -6.536 -9.070 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.994 -3.526 -9.394 1.00 0.00 C ATOM 0 H ILE C 39 6.094 -4.431 -7.109 1.00 0.00 H new ATOM 0 HA ILE C 39 6.007 -6.375 -9.142 1.00 0.00 H new ATOM 0 HB ILE C 39 8.268 -5.205 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.407 -4.647 -10.341 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.879 -3.682 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.780 -6.064 -9.235 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.936 -7.398 -8.414 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.400 -6.863 -10.025 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.871 -2.665 -10.051 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.254 -3.184 -8.392 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.790 -4.164 -9.778 1.00 0.00 H new ATOM 1331 N LEU C 40 6.958 -7.448 -6.163 1.00 0.00 N ATOM 1332 CA LEU C 40 7.158 -8.658 -5.372 1.00 0.00 C ATOM 1333 C LEU C 40 5.834 -9.382 -5.143 1.00 0.00 C ATOM 1334 O LEU C 40 5.761 -10.608 -5.235 1.00 0.00 O ATOM 1335 CB LEU C 40 7.790 -8.300 -4.028 1.00 0.00 C ATOM 1336 CG LEU C 40 9.028 -7.430 -4.260 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.638 -7.040 -2.911 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.062 -8.213 -5.082 1.00 0.00 C ATOM 0 H LEU C 40 7.043 -6.577 -5.639 1.00 0.00 H new ATOM 0 HA LEU C 40 7.824 -9.322 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.070 -7.768 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU C 40 8.066 -9.207 -3.491 1.00 0.00 H new ATOM 0 HG LEU C 40 8.740 -6.530 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.520 -6.421 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU C 40 8.906 -6.481 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.924 -7.940 -2.367 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.942 -7.592 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.350 -9.115 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.629 -8.489 -6.043 1.00 0.00 H new ATOM 1350 N TRP C 41 4.799 -8.613 -4.822 1.00 0.00 N ATOM 1351 CA TRP C 41 3.485 -9.184 -4.565 1.00 0.00 C ATOM 1352 C TRP C 41 2.904 -9.798 -5.831 1.00 0.00 C ATOM 1353 O TRP C 41 2.264 -10.850 -5.783 1.00 0.00 O ATOM 1354 CB TRP C 41 2.544 -8.123 -4.006 1.00 0.00 C ATOM 1355 CG TRP C 41 1.171 -8.704 -3.883 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.747 -9.485 -2.861 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.015 -8.499 -4.745 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.576 -9.823 -3.082 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.072 -9.225 -4.221 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.187 -7.770 -5.930 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.314 -9.228 -4.847 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.440 -7.764 -6.559 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.498 -8.496 -6.019 1.00 0.00 C ATOM 0 H TRP C 41 4.845 -7.598 -4.734 1.00 0.00 H new ATOM 0 HA TRP C 41 3.596 -9.975 -3.824 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.897 -7.782 -3.033 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.527 -7.252 -4.662 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.343 -9.793 -2.014 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.118 -10.439 -2.476 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.630 -7.210 -6.360 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.132 -9.795 -4.427 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.587 -7.192 -7.463 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.460 -8.495 -6.509 1.00 0.00 H new ATOM 1374 N ILE C 42 3.128 -9.136 -6.952 1.00 0.00 N ATOM 1375 CA ILE C 42 2.624 -9.627 -8.225 1.00 0.00 C ATOM 1376 C ILE C 42 3.266 -10.968 -8.564 1.00 0.00 C ATOM 1377 O ILE C 42 2.586 -11.902 -8.985 1.00 0.00 O ATOM 1378 CB ILE C 42 2.926 -8.605 -9.334 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.928 -7.447 -9.254 1.00 0.00 C ATOM 1380 CG2 ILE C 42 2.811 -9.278 -10.707 1.00 0.00 C ATOM 1381 CD1 ILE C 42 2.430 -6.277 -10.097 1.00 0.00 C ATOM 0 H ILE C 42 3.652 -8.263 -7.009 1.00 0.00 H new ATOM 0 HA ILE C 42 1.545 -9.764 -8.149 1.00 0.00 H new ATOM 0 HB ILE C 42 3.939 -8.225 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE C 42 0.950 -7.771 -9.610 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.802 -7.134 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.026 -8.549 -11.489 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.525 -10.099 -10.771 1.00 0.00 H new ATOM 0 HG23 ILE C 42 1.800 -9.664 -10.839 1.00 0.00 H new ATOM 0 HD11 ILE C 42 1.718 -5.454 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE C 42 3.398 -5.946 -9.721 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.533 -6.594 -11.135 1.00 0.00 H new ATOM 1393 N LEU C 43 4.580 -11.048 -8.398 1.00 0.00 N ATOM 1394 CA LEU C 43 5.304 -12.273 -8.700 1.00 0.00 C ATOM 1395 C LEU C 43 4.848 -13.401 -7.789 1.00 0.00 C ATOM 1396 O LEU C 43 4.694 -14.542 -8.225 1.00 0.00 O ATOM 1397 CB LEU C 43 6.808 -12.048 -8.528 1.00 0.00 C ATOM 1398 CG LEU C 43 7.318 -11.113 -9.631 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.731 -10.636 -9.285 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.343 -11.855 -10.981 1.00 0.00 C ATOM 0 H LEU C 43 5.162 -10.283 -8.058 1.00 0.00 H new ATOM 0 HA LEU C 43 5.096 -12.551 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU C 43 7.012 -11.616 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU C 43 7.336 -13.001 -8.572 1.00 0.00 H new ATOM 0 HG LEU C 43 6.650 -10.255 -9.707 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.093 -9.971 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.712 -10.100 -8.336 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.395 -11.496 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.707 -11.183 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU C 43 8.004 -12.719 -10.909 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.336 -12.189 -11.231 1.00 0.00 H new ATOM 1412 N ASP C 44 4.637 -13.076 -6.520 1.00 0.00 N ATOM 1413 CA ASP C 44 4.207 -14.075 -5.548 1.00 0.00 C ATOM 1414 C ASP C 44 2.903 -14.726 -5.999 1.00 0.00 C ATOM 1415 O ASP C 44 2.738 -15.941 -5.894 1.00 0.00 O ATOM 1416 CB ASP C 44 4.005 -13.418 -4.181 1.00 0.00 C ATOM 1417 CG ASP C 44 3.611 -14.470 -3.151 1.00 0.00 C ATOM 1418 OD1 ASP C 44 3.407 -15.608 -3.542 1.00 0.00 O ATOM 1419 OD2 ASP C 44 3.527 -14.125 -1.983 1.00 0.00 O ATOM 0 H ASP C 44 4.755 -12.136 -6.141 1.00 0.00 H new ATOM 0 HA ASP C 44 4.978 -14.841 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP C 44 4.922 -12.918 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP C 44 3.231 -12.653 -4.247 1.00 0.00 H new ATOM 1424 N ARG C 45 1.982 -13.911 -6.503 1.00 0.00 N ATOM 1425 CA ARG C 45 0.701 -14.423 -6.971 1.00 0.00 C ATOM 1426 C ARG C 45 0.899 -15.361 -8.157 1.00 0.00 C ATOM 1427 O ARG C 45 0.280 -16.422 -8.236 1.00 0.00 O ATOM 1428 CB ARG C 45 -0.210 -13.263 -7.378 1.00 0.00 C ATOM 1429 CG ARG C 45 -1.583 -13.806 -7.784 1.00 0.00 C ATOM 1430 CD ARG C 45 -2.506 -12.642 -8.143 1.00 0.00 C ATOM 1431 NE ARG C 45 -3.855 -13.130 -8.402 1.00 0.00 N ATOM 1432 CZ ARG C 45 -4.749 -12.375 -9.031 1.00 0.00 C ATOM 1433 NH1 ARG C 45 -4.427 -11.174 -9.427 1.00 0.00 N ATOM 1434 NH2 ARG C 45 -5.952 -12.835 -9.254 1.00 0.00 N ATOM 0 H ARG C 45 2.098 -12.902 -6.597 1.00 0.00 H new ATOM 0 HA ARG C 45 0.235 -14.980 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG C 45 -0.315 -12.562 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG C 45 0.234 -12.712 -8.207 1.00 0.00 H new ATOM 0 HG2 ARG C 45 -1.482 -14.480 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG C 45 -2.013 -14.386 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG C 45 -2.524 -11.918 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG C 45 -2.124 -12.123 -9.022 1.00 0.00 H new ATOM 0 HE ARG C 45 -4.117 -14.067 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG C 45 -3.488 -10.814 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG C 45 -5.114 -10.595 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG C 45 -6.204 -13.774 -8.945 1.00 0.00 H new ATOM 0 HH22 ARG C 45 -6.638 -12.255 -9.737 1.00 0.00 H new ATOM 1448 N LEU C 46 1.765 -14.962 -9.082 1.00 0.00 N ATOM 1449 CA LEU C 46 2.030 -15.780 -10.260 1.00 0.00 C ATOM 1450 C LEU C 46 2.658 -17.108 -9.867 1.00 0.00 C ATOM 1451 O LEU C 46 2.287 -18.157 -10.390 1.00 0.00 O ATOM 1452 CB LEU C 46 2.975 -15.022 -11.206 1.00 0.00 C ATOM 1453 CG LEU C 46 2.175 -13.990 -12.026 1.00 0.00 C ATOM 1454 CD1 LEU C 46 3.089 -12.833 -12.429 1.00 0.00 C ATOM 1455 CD2 LEU C 46 1.622 -14.662 -13.289 1.00 0.00 C ATOM 0 H LEU C 46 2.290 -14.088 -9.041 1.00 0.00 H new ATOM 0 HA LEU C 46 1.085 -15.982 -10.764 1.00 0.00 H new ATOM 0 HB2 LEU C 46 3.753 -14.519 -10.632 1.00 0.00 H new ATOM 0 HB3 LEU C 46 3.475 -15.723 -11.875 1.00 0.00 H new ATOM 0 HG LEU C 46 1.352 -13.609 -11.422 1.00 0.00 H new ATOM 0 HD11 LEU C 46 2.521 -12.105 -13.008 1.00 0.00 H new ATOM 0 HD12 LEU C 46 3.486 -12.354 -11.534 1.00 0.00 H new ATOM 0 HD13 LEU C 46 3.913 -13.214 -13.033 1.00 0.00 H new ATOM 0 HD21 LEU C 46 1.056 -13.934 -13.870 1.00 0.00 H new ATOM 0 HD22 LEU C 46 2.448 -15.043 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU C 46 0.969 -15.487 -13.006 1.00 0.00 H new ATOM 1467 N PHE C 47 3.623 -17.050 -8.960 1.00 0.00 N ATOM 1468 CA PHE C 47 4.309 -18.257 -8.517 1.00 0.00 C ATOM 1469 C PHE C 47 3.391 -19.109 -7.658 1.00 0.00 C ATOM 1470 O PHE C 47 3.309 -20.323 -7.842 1.00 0.00 O ATOM 1471 CB PHE C 47 5.566 -17.880 -7.718 1.00 0.00 C ATOM 1472 CG PHE C 47 6.701 -17.569 -8.671 1.00 0.00 C ATOM 1473 CD1 PHE C 47 6.533 -16.602 -9.672 1.00 0.00 C ATOM 1474 CD2 PHE C 47 7.919 -18.251 -8.557 1.00 0.00 C ATOM 1475 CE1 PHE C 47 7.577 -16.320 -10.554 1.00 0.00 C ATOM 1476 CE2 PHE C 47 8.965 -17.967 -9.439 1.00 0.00 C ATOM 1477 CZ PHE C 47 8.795 -17.001 -10.439 1.00 0.00 C ATOM 0 H PHE C 47 3.947 -16.189 -8.520 1.00 0.00 H new ATOM 0 HA PHE C 47 4.598 -18.833 -9.396 1.00 0.00 H new ATOM 0 HB2 PHE C 47 5.362 -17.016 -7.086 1.00 0.00 H new ATOM 0 HB3 PHE C 47 5.848 -18.699 -7.056 1.00 0.00 H new ATOM 0 HD1 PHE C 47 5.595 -16.075 -9.761 1.00 0.00 H new ATOM 0 HD2 PHE C 47 8.050 -18.997 -7.787 1.00 0.00 H new ATOM 0 HE1 PHE C 47 7.445 -15.576 -11.326 1.00 0.00 H new ATOM 0 HE2 PHE C 47 9.904 -18.492 -9.350 1.00 0.00 H new ATOM 0 HZ PHE C 47 9.603 -16.782 -11.121 1.00 0.00 H new ATOM 1487 N PHE C 48 2.711 -18.470 -6.711 1.00 0.00 N ATOM 1488 CA PHE C 48 1.805 -19.187 -5.815 1.00 0.00 C ATOM 1489 C PHE C 48 0.477 -18.455 -5.706 1.00 0.00 C ATOM 1490 O PHE C 48 0.427 -17.232 -5.765 1.00 0.00 O ATOM 1491 CB PHE C 48 2.437 -19.307 -4.426 1.00 0.00 C ATOM 1492 CG PHE C 48 3.891 -19.708 -4.565 1.00 0.00 C ATOM 1493 CD1 PHE C 48 4.239 -20.855 -5.288 1.00 0.00 C ATOM 1494 CD2 PHE C 48 4.893 -18.927 -3.970 1.00 0.00 C ATOM 1495 CE1 PHE C 48 5.582 -21.222 -5.418 1.00 0.00 C ATOM 1496 CE2 PHE C 48 6.236 -19.293 -4.101 1.00 0.00 C ATOM 1497 CZ PHE C 48 6.581 -20.441 -4.824 1.00 0.00 C ATOM 0 H PHE C 48 2.768 -17.465 -6.543 1.00 0.00 H new ATOM 0 HA PHE C 48 1.628 -20.182 -6.223 1.00 0.00 H new ATOM 0 HB2 PHE C 48 2.360 -18.357 -3.896 1.00 0.00 H new ATOM 0 HB3 PHE C 48 1.900 -20.047 -3.833 1.00 0.00 H new ATOM 0 HD1 PHE C 48 3.469 -21.458 -5.746 1.00 0.00 H new ATOM 0 HD2 PHE C 48 4.627 -18.042 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE C 48 5.849 -22.107 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE C 48 7.007 -18.690 -3.644 1.00 0.00 H new ATOM 0 HZ PHE C 48 7.618 -20.724 -4.924 1.00 0.00 H new ATOM 1507 N LYS C 49 -0.599 -19.215 -5.545 1.00 0.00 N ATOM 1508 CA LYS C 49 -1.930 -18.628 -5.428 1.00 0.00 C ATOM 1509 C LYS C 49 -2.182 -18.150 -4.001 1.00 0.00 C ATOM 1510 O LYS C 49 -1.739 -17.062 -3.673 1.00 0.00 O ATOM 1511 CB LYS C 49 -2.991 -19.656 -5.820 1.00 0.00 C ATOM 1512 CG LYS C 49 -2.881 -19.961 -7.316 1.00 0.00 C ATOM 1513 CD LYS C 49 -3.946 -20.985 -7.709 1.00 0.00 C ATOM 1514 CE LYS C 49 -3.827 -21.298 -9.202 1.00 0.00 C ATOM 1515 NZ LYS C 49 -4.863 -22.300 -9.583 1.00 0.00 N ATOM 1516 OXT LYS C 49 -2.817 -18.881 -3.258 1.00 0.00 O ATOM 0 H LYS C 49 -0.578 -20.233 -5.493 1.00 0.00 H new ATOM 0 HA LYS C 49 -1.989 -17.772 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -2.858 -20.570 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -3.985 -19.274 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -3.010 -19.046 -7.895 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -1.888 -20.347 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -3.822 -21.897 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -4.940 -20.596 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -3.954 -20.387 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -2.832 -21.684 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -4.783 -22.513 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -4.722 -23.172 -9.034 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -5.808 -21.915 -9.384 1.00 0.00 H new TER 1530 LYS C 49 ATOM 1531 N SER D 19 -0.365 22.384 14.734 1.00 0.00 N ATOM 1532 CA SER D 19 -0.257 23.864 14.597 1.00 0.00 C ATOM 1533 C SER D 19 0.523 24.198 13.333 1.00 0.00 C ATOM 1534 O SER D 19 0.330 25.256 12.732 1.00 0.00 O ATOM 1535 CB SER D 19 0.462 24.434 15.821 1.00 0.00 C ATOM 1536 OG SER D 19 -0.403 24.366 16.946 1.00 0.00 O ATOM 0 HA SER D 19 -1.252 24.303 14.529 1.00 0.00 H new ATOM 0 HB2 SER D 19 1.375 23.872 16.015 1.00 0.00 H new ATOM 0 HB3 SER D 19 0.757 25.467 15.636 1.00 0.00 H new ATOM 0 HG SER D 19 0.055 24.729 17.733 1.00 0.00 H new ATOM 1544 N ASN D 20 1.410 23.292 12.933 1.00 0.00 N ATOM 1545 CA ASN D 20 2.219 23.502 11.734 1.00 0.00 C ATOM 1546 C ASN D 20 1.491 22.982 10.502 1.00 0.00 C ATOM 1547 O ASN D 20 1.234 21.785 10.378 1.00 0.00 O ATOM 1548 CB ASN D 20 3.560 22.783 11.875 1.00 0.00 C ATOM 1549 CG ASN D 20 4.470 23.141 10.706 1.00 0.00 C ATOM 1550 OD1 ASN D 20 4.047 23.836 9.781 1.00 0.00 O ATOM 1551 ND2 ASN D 20 5.702 22.713 10.693 1.00 0.00 N ATOM 0 H ASN D 20 1.587 22.411 13.416 1.00 0.00 H new ATOM 0 HA ASN D 20 2.392 24.572 11.618 1.00 0.00 H new ATOM 0 HB2 ASN D 20 4.035 23.063 12.815 1.00 0.00 H new ATOM 0 HB3 ASN D 20 3.402 21.705 11.907 1.00 0.00 H new ATOM 0 HD21 ASN D 20 6.317 22.954 9.916 1.00 0.00 H new ATOM 0 HD22 ASN D 20 6.050 22.138 11.460 1.00 0.00 H new ATOM 1558 N ASP D 21 1.155 23.890 9.590 1.00 0.00 N ATOM 1559 CA ASP D 21 0.452 23.512 8.366 1.00 0.00 C ATOM 1560 C ASP D 21 1.449 23.197 7.255 1.00 0.00 C ATOM 1561 O ASP D 21 1.061 22.877 6.132 1.00 0.00 O ATOM 1562 CB ASP D 21 -0.468 24.651 7.920 1.00 0.00 C ATOM 1563 CG ASP D 21 0.327 25.945 7.792 1.00 0.00 C ATOM 1564 OD1 ASP D 21 1.545 25.877 7.834 1.00 0.00 O ATOM 1565 OD2 ASP D 21 -0.294 26.985 7.652 1.00 0.00 O ATOM 0 H ASP D 21 1.356 24.887 9.673 1.00 0.00 H new ATOM 0 HA ASP D 21 -0.144 22.622 8.569 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -0.930 24.403 6.965 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -1.275 24.781 8.641 1.00 0.00 H new ATOM 1570 N SER D 22 2.736 23.289 7.577 1.00 0.00 N ATOM 1571 CA SER D 22 3.779 23.012 6.594 1.00 0.00 C ATOM 1572 C SER D 22 3.675 21.578 6.089 1.00 0.00 C ATOM 1573 O SER D 22 3.792 21.324 4.890 1.00 0.00 O ATOM 1574 CB SER D 22 5.156 23.228 7.222 1.00 0.00 C ATOM 1575 OG SER D 22 5.299 22.369 8.345 1.00 0.00 O ATOM 0 H SER D 22 3.080 23.550 8.501 1.00 0.00 H new ATOM 0 HA SER D 22 3.647 23.693 5.753 1.00 0.00 H new ATOM 0 HB2 SER D 22 5.938 23.023 6.491 1.00 0.00 H new ATOM 0 HB3 SER D 22 5.270 24.268 7.528 1.00 0.00 H new ATOM 0 HG SER D 22 6.147 21.883 8.279 1.00 0.00 H new ATOM 1581 N SER D 23 3.440 20.645 7.007 1.00 0.00 N ATOM 1582 CA SER D 23 3.311 19.238 6.640 1.00 0.00 C ATOM 1583 C SER D 23 2.432 18.502 7.644 1.00 0.00 C ATOM 1584 O SER D 23 2.716 18.492 8.841 1.00 0.00 O ATOM 1585 CB SER D 23 4.691 18.585 6.588 1.00 0.00 C ATOM 1586 OG SER D 23 5.431 19.135 5.507 1.00 0.00 O ATOM 0 H SER D 23 3.336 20.835 8.004 1.00 0.00 H new ATOM 0 HA SER D 23 2.845 19.178 5.656 1.00 0.00 H new ATOM 0 HB2 SER D 23 5.220 18.750 7.527 1.00 0.00 H new ATOM 0 HB3 SER D 23 4.591 17.507 6.464 1.00 0.00 H new ATOM 0 HG SER D 23 6.318 18.719 5.472 1.00 0.00 H new ATOM 1592 N ASP D 24 1.364 17.886 7.146 1.00 0.00 N ATOM 1593 CA ASP D 24 0.452 17.157 8.006 1.00 0.00 C ATOM 1594 C ASP D 24 1.047 15.802 8.400 1.00 0.00 C ATOM 1595 O ASP D 24 1.802 15.202 7.632 1.00 0.00 O ATOM 1596 CB ASP D 24 -0.890 16.940 7.298 1.00 0.00 C ATOM 1597 CG ASP D 24 -1.719 18.219 7.349 1.00 0.00 C ATOM 1598 OD1 ASP D 24 -1.168 19.269 7.066 1.00 0.00 O ATOM 1599 OD2 ASP D 24 -2.890 18.131 7.682 1.00 0.00 O ATOM 0 H ASP D 24 1.114 17.880 6.157 1.00 0.00 H new ATOM 0 HA ASP D 24 0.292 17.749 8.907 1.00 0.00 H new ATOM 0 HB2 ASP D 24 -0.721 16.648 6.262 1.00 0.00 H new ATOM 0 HB3 ASP D 24 -1.434 16.125 7.774 1.00 0.00 H new ATOM 1604 N PRO D 25 0.711 15.310 9.564 1.00 0.00 N ATOM 1605 CA PRO D 25 1.213 13.997 10.059 1.00 0.00 C ATOM 1606 C PRO D 25 0.650 12.826 9.256 1.00 0.00 C ATOM 1607 O PRO D 25 1.187 11.720 9.297 1.00 0.00 O ATOM 1608 CB PRO D 25 0.735 13.952 11.521 1.00 0.00 C ATOM 1609 CG PRO D 25 -0.447 14.866 11.574 1.00 0.00 C ATOM 1610 CD PRO D 25 -0.188 15.952 10.541 1.00 0.00 C ATOM 0 HA PRO D 25 2.295 13.906 9.961 1.00 0.00 H new ATOM 0 HB2 PRO D 25 0.463 12.938 11.815 1.00 0.00 H new ATOM 0 HB3 PRO D 25 1.519 14.282 12.202 1.00 0.00 H new ATOM 0 HG2 PRO D 25 -1.367 14.326 11.350 1.00 0.00 H new ATOM 0 HG3 PRO D 25 -0.564 15.295 12.569 1.00 0.00 H new ATOM 0 HD2 PRO D 25 -1.114 16.285 10.072 1.00 0.00 H new ATOM 0 HD3 PRO D 25 0.275 16.830 10.992 1.00 0.00 H new ATOM 1618 N LEU D 26 -0.444 13.074 8.547 1.00 0.00 N ATOM 1619 CA LEU D 26 -1.079 12.027 7.759 1.00 0.00 C ATOM 1620 C LEU D 26 -0.140 11.537 6.667 1.00 0.00 C ATOM 1621 O LEU D 26 -0.030 10.334 6.425 1.00 0.00 O ATOM 1622 CB LEU D 26 -2.364 12.566 7.122 1.00 0.00 C ATOM 1623 CG LEU D 26 -3.390 12.876 8.219 1.00 0.00 C ATOM 1624 CD1 LEU D 26 -4.587 13.609 7.608 1.00 0.00 C ATOM 1625 CD2 LEU D 26 -3.869 11.568 8.878 1.00 0.00 C ATOM 0 H LEU D 26 -0.906 13.982 8.502 1.00 0.00 H new ATOM 0 HA LEU D 26 -1.318 11.193 8.419 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -2.147 13.467 6.548 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -2.772 11.834 6.425 1.00 0.00 H new ATOM 0 HG LEU D 26 -2.923 13.506 8.976 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.316 13.829 8.388 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.250 14.540 7.153 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.049 12.980 6.847 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -4.597 11.798 9.656 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -4.331 10.929 8.125 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -3.018 11.050 9.320 1.00 0.00 H new ATOM 1637 N VAL D 27 0.535 12.473 6.012 1.00 0.00 N ATOM 1638 CA VAL D 27 1.466 12.121 4.946 1.00 0.00 C ATOM 1639 C VAL D 27 2.625 11.295 5.496 1.00 0.00 C ATOM 1640 O VAL D 27 2.998 10.269 4.922 1.00 0.00 O ATOM 1641 CB VAL D 27 2.007 13.392 4.288 1.00 0.00 C ATOM 1642 CG1 VAL D 27 3.083 13.021 3.264 1.00 0.00 C ATOM 1643 CG2 VAL D 27 0.865 14.126 3.581 1.00 0.00 C ATOM 0 H VAL D 27 0.457 13.473 6.197 1.00 0.00 H new ATOM 0 HA VAL D 27 0.933 11.526 4.204 1.00 0.00 H new ATOM 0 HB VAL D 27 2.439 14.039 5.051 1.00 0.00 H new ATOM 0 HG11 VAL D 27 3.468 13.927 2.796 1.00 0.00 H new ATOM 0 HG12 VAL D 27 3.897 12.498 3.765 1.00 0.00 H new ATOM 0 HG13 VAL D 27 2.651 12.374 2.501 1.00 0.00 H new ATOM 0 HG21 VAL D 27 1.250 15.032 3.112 1.00 0.00 H new ATOM 0 HG22 VAL D 27 0.433 13.478 2.818 1.00 0.00 H new ATOM 0 HG23 VAL D 27 0.098 14.392 4.308 1.00 0.00 H new ATOM 1653 N VAL D 28 3.191 11.748 6.608 1.00 0.00 N ATOM 1654 CA VAL D 28 4.308 11.046 7.225 1.00 0.00 C ATOM 1655 C VAL D 28 3.864 9.677 7.734 1.00 0.00 C ATOM 1656 O VAL D 28 4.566 8.681 7.560 1.00 0.00 O ATOM 1657 CB VAL D 28 4.869 11.869 8.385 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.963 11.072 9.099 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.459 13.173 7.845 1.00 0.00 C ATOM 0 H VAL D 28 2.897 12.593 7.098 1.00 0.00 H new ATOM 0 HA VAL D 28 5.085 10.907 6.473 1.00 0.00 H new ATOM 0 HB VAL D 28 4.068 12.095 9.089 1.00 0.00 H new ATOM 0 HG11 VAL D 28 6.361 11.661 9.925 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.543 10.143 9.484 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.765 10.844 8.396 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.859 13.761 8.671 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.259 12.946 7.140 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.680 13.743 7.339 1.00 0.00 H new ATOM 1669 N ALA D 29 2.703 9.640 8.377 1.00 0.00 N ATOM 1670 CA ALA D 29 2.182 8.392 8.920 1.00 0.00 C ATOM 1671 C ALA D 29 1.932 7.383 7.805 1.00 0.00 C ATOM 1672 O ALA D 29 2.211 6.196 7.957 1.00 0.00 O ATOM 1673 CB ALA D 29 0.875 8.654 9.671 1.00 0.00 C ATOM 0 H ALA D 29 2.108 10.454 8.534 1.00 0.00 H new ATOM 0 HA ALA D 29 2.922 7.982 9.607 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.492 7.716 10.074 1.00 0.00 H new ATOM 0 HB2 ALA D 29 1.058 9.352 10.488 1.00 0.00 H new ATOM 0 HB3 ALA D 29 0.142 9.081 8.987 1.00 0.00 H new ATOM 1679 N ALA D 30 1.403 7.864 6.685 1.00 0.00 N ATOM 1680 CA ALA D 30 1.115 6.990 5.555 1.00 0.00 C ATOM 1681 C ALA D 30 2.384 6.291 5.079 1.00 0.00 C ATOM 1682 O ALA D 30 2.373 5.094 4.790 1.00 0.00 O ATOM 1683 CB ALA D 30 0.518 7.806 4.406 1.00 0.00 C ATOM 0 H ALA D 30 1.167 8.845 6.536 1.00 0.00 H new ATOM 0 HA ALA D 30 0.398 6.234 5.877 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.305 7.147 3.564 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.405 8.281 4.738 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.229 8.572 4.096 1.00 0.00 H new ATOM 1689 N ASN D 31 3.475 7.046 4.997 1.00 0.00 N ATOM 1690 CA ASN D 31 4.745 6.483 4.555 1.00 0.00 C ATOM 1691 C ASN D 31 5.240 5.431 5.544 1.00 0.00 C ATOM 1692 O ASN D 31 5.685 4.356 5.151 1.00 0.00 O ATOM 1693 CB ASN D 31 5.790 7.594 4.427 1.00 0.00 C ATOM 1694 CG ASN D 31 7.108 7.017 3.921 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.434 5.863 4.204 1.00 0.00 O ATOM 1696 ND2 ASN D 31 7.891 7.754 3.184 1.00 0.00 N ATOM 0 H ASN D 31 3.506 8.039 5.228 1.00 0.00 H new ATOM 0 HA ASN D 31 4.593 6.010 3.585 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.433 8.362 3.741 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.942 8.075 5.393 1.00 0.00 H new ATOM 0 HD21 ASN D 31 8.774 7.375 2.841 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.621 8.709 2.950 1.00 0.00 H new ATOM 1703 N ILE D 32 5.149 5.746 6.831 1.00 0.00 N ATOM 1704 CA ILE D 32 5.591 4.823 7.871 1.00 0.00 C ATOM 1705 C ILE D 32 4.776 3.535 7.818 1.00 0.00 C ATOM 1706 O ILE D 32 5.318 2.440 7.958 1.00 0.00 O ATOM 1707 CB ILE D 32 5.448 5.475 9.248 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.446 6.632 9.368 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.741 4.440 10.338 1.00 0.00 C ATOM 1710 CD1 ILE D 32 6.117 7.459 10.612 1.00 0.00 C ATOM 0 H ILE D 32 4.775 6.629 7.179 1.00 0.00 H new ATOM 0 HA ILE D 32 6.640 4.582 7.699 1.00 0.00 H new ATOM 0 HB ILE D 32 4.432 5.852 9.367 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.463 6.245 9.434 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.401 7.260 8.478 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.639 4.905 11.318 1.00 0.00 H new ATOM 0 HG22 ILE D 32 5.036 3.613 10.254 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.757 4.064 10.219 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.826 8.283 10.699 1.00 0.00 H new ATOM 0 HD12 ILE D 32 5.106 7.858 10.527 1.00 0.00 H new ATOM 0 HD13 ILE D 32 6.184 6.827 11.497 1.00 0.00 H new ATOM 1722 N ILE D 33 3.473 3.676 7.628 1.00 0.00 N ATOM 1723 CA ILE D 33 2.594 2.518 7.566 1.00 0.00 C ATOM 1724 C ILE D 33 2.980 1.618 6.404 1.00 0.00 C ATOM 1725 O ILE D 33 2.989 0.393 6.533 1.00 0.00 O ATOM 1726 CB ILE D 33 1.138 2.979 7.402 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.685 3.714 8.680 1.00 0.00 C ATOM 1728 CG2 ILE D 33 0.236 1.756 7.166 1.00 0.00 C ATOM 1729 CD1 ILE D 33 0.195 2.703 9.726 1.00 0.00 C ATOM 0 H ILE D 33 3.003 4.574 7.515 1.00 0.00 H new ATOM 0 HA ILE D 33 2.695 1.954 8.494 1.00 0.00 H new ATOM 0 HB ILE D 33 1.064 3.654 6.549 1.00 0.00 H new ATOM 0 HG12 ILE D 33 1.512 4.297 9.086 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -0.113 4.417 8.441 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -0.797 2.083 7.050 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.556 1.237 6.263 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.309 1.080 8.018 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -0.122 3.233 10.624 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.646 2.139 9.321 1.00 0.00 H new ATOM 0 HD13 ILE D 33 1.005 2.017 9.976 1.00 0.00 H new ATOM 1741 N GLY D 34 3.278 2.227 5.264 1.00 0.00 N ATOM 1742 CA GLY D 34 3.646 1.462 4.076 1.00 0.00 C ATOM 1743 C GLY D 34 4.779 0.488 4.384 1.00 0.00 C ATOM 1744 O GLY D 34 4.663 -0.709 4.136 1.00 0.00 O ATOM 0 H GLY D 34 3.273 3.239 5.135 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.779 0.913 3.709 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.952 2.142 3.281 1.00 0.00 H new ATOM 1748 N ILE D 35 5.864 1.008 4.937 1.00 0.00 N ATOM 1749 CA ILE D 35 7.004 0.171 5.291 1.00 0.00 C ATOM 1750 C ILE D 35 6.626 -0.828 6.373 1.00 0.00 C ATOM 1751 O ILE D 35 7.044 -1.985 6.329 1.00 0.00 O ATOM 1752 CB ILE D 35 8.177 1.042 5.762 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.768 1.817 4.561 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.263 0.165 6.389 1.00 0.00 C ATOM 1755 CD1 ILE D 35 7.965 3.095 4.318 1.00 0.00 C ATOM 0 H ILE D 35 5.981 1.999 5.150 1.00 0.00 H new ATOM 0 HA ILE D 35 7.309 -0.383 4.403 1.00 0.00 H new ATOM 0 HB ILE D 35 7.814 1.750 6.507 1.00 0.00 H new ATOM 0 HG12 ILE D 35 9.812 2.065 4.755 1.00 0.00 H new ATOM 0 HG13 ILE D 35 8.750 1.191 3.669 1.00 0.00 H new ATOM 0 HG21 ILE D 35 10.091 0.792 6.720 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.850 -0.371 7.243 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.623 -0.552 5.651 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.388 3.635 3.471 1.00 0.00 H new ATOM 0 HD12 ILE D 35 6.928 2.838 4.103 1.00 0.00 H new ATOM 0 HD13 ILE D 35 8.006 3.725 5.207 1.00 0.00 H new ATOM 1767 N LEU D 36 5.872 -0.363 7.355 1.00 0.00 N ATOM 1768 CA LEU D 36 5.482 -1.220 8.458 1.00 0.00 C ATOM 1769 C LEU D 36 4.748 -2.455 7.943 1.00 0.00 C ATOM 1770 O LEU D 36 5.022 -3.580 8.370 1.00 0.00 O ATOM 1771 CB LEU D 36 4.566 -0.448 9.419 1.00 0.00 C ATOM 1772 CG LEU D 36 4.092 -1.372 10.547 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.309 -1.973 11.267 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.253 -0.571 11.542 1.00 0.00 C ATOM 0 H LEU D 36 5.522 0.593 7.410 1.00 0.00 H new ATOM 0 HA LEU D 36 6.383 -1.537 8.984 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.100 0.405 9.837 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.707 -0.052 8.877 1.00 0.00 H new ATOM 0 HG LEU D 36 3.488 -2.176 10.127 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.970 -2.629 12.068 1.00 0.00 H new ATOM 0 HD12 LEU D 36 5.906 -2.546 10.557 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.916 -1.171 11.687 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.915 -1.227 12.344 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.856 0.234 11.961 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.388 -0.148 11.031 1.00 0.00 H new ATOM 1786 N HIS D 37 3.820 -2.239 7.021 1.00 0.00 N ATOM 1787 CA HIS D 37 3.056 -3.340 6.445 1.00 0.00 C ATOM 1788 C HIS D 37 3.986 -4.313 5.730 1.00 0.00 C ATOM 1789 O HIS D 37 3.799 -5.529 5.797 1.00 0.00 O ATOM 1790 CB HIS D 37 2.019 -2.802 5.463 1.00 0.00 C ATOM 1791 CG HIS D 37 1.237 -3.949 4.881 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.126 -4.091 5.071 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.615 -5.019 4.112 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.511 -5.208 4.430 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.509 -5.811 3.828 1.00 0.00 N ATOM 0 H HIS D 37 3.578 -1.318 6.657 1.00 0.00 H new ATOM 0 HA HIS D 37 2.545 -3.867 7.251 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.347 -2.110 5.970 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.511 -2.243 4.667 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.622 -5.217 3.777 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.528 -5.572 4.407 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.485 -6.669 3.277 1.00 0.00 H new ATOM 1803 N LEU D 38 4.977 -3.775 5.034 1.00 0.00 N ATOM 1804 CA LEU D 38 5.918 -4.611 4.301 1.00 0.00 C ATOM 1805 C LEU D 38 6.649 -5.551 5.240 1.00 0.00 C ATOM 1806 O LEU D 38 6.887 -6.700 4.903 1.00 0.00 O ATOM 1807 CB LEU D 38 6.936 -3.722 3.560 1.00 0.00 C ATOM 1808 CG LEU D 38 6.405 -3.372 2.156 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.057 -2.087 1.660 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.737 -4.518 1.186 1.00 0.00 C ATOM 0 H LEU D 38 5.150 -2.772 4.961 1.00 0.00 H new ATOM 0 HA LEU D 38 5.360 -5.208 3.580 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.116 -2.809 4.128 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.892 -4.240 3.478 1.00 0.00 H new ATOM 0 HG LEU D 38 5.325 -3.231 2.206 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.677 -1.846 0.667 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.824 -1.272 2.346 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.137 -2.222 1.612 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.363 -4.273 0.192 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.817 -4.657 1.143 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.267 -5.437 1.535 1.00 0.00 H new ATOM 1822 N ILE D 39 7.009 -5.055 6.406 1.00 0.00 N ATOM 1823 CA ILE D 39 7.729 -5.871 7.372 1.00 0.00 C ATOM 1824 C ILE D 39 6.888 -7.075 7.777 1.00 0.00 C ATOM 1825 O ILE D 39 7.391 -8.195 7.853 1.00 0.00 O ATOM 1826 CB ILE D 39 8.054 -5.034 8.614 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.080 -3.957 8.250 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.630 -5.939 9.709 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.246 -2.988 9.422 1.00 0.00 C ATOM 0 H ILE D 39 6.819 -4.100 6.709 1.00 0.00 H new ATOM 0 HA ILE D 39 8.654 -6.222 6.915 1.00 0.00 H new ATOM 0 HB ILE D 39 7.143 -4.560 8.979 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.037 -4.419 8.009 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.755 -3.416 7.361 1.00 0.00 H new ATOM 0 HG21 ILE D 39 8.860 -5.341 10.591 1.00 0.00 H new ATOM 0 HG22 ILE D 39 7.899 -6.705 9.970 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.541 -6.415 9.346 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.977 -2.223 9.161 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.289 -2.516 9.642 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.591 -3.534 10.300 1.00 0.00 H new ATOM 1841 N LEU D 40 5.609 -6.841 8.039 1.00 0.00 N ATOM 1842 CA LEU D 40 4.711 -7.923 8.431 1.00 0.00 C ATOM 1843 C LEU D 40 4.386 -8.819 7.240 1.00 0.00 C ATOM 1844 O LEU D 40 4.357 -10.045 7.361 1.00 0.00 O ATOM 1845 CB LEU D 40 3.420 -7.340 9.006 1.00 0.00 C ATOM 1846 CG LEU D 40 3.760 -6.317 10.092 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.468 -5.706 10.640 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.524 -7.006 11.233 1.00 0.00 C ATOM 0 H LEU D 40 5.171 -5.921 7.988 1.00 0.00 H new ATOM 0 HA LEU D 40 5.210 -8.526 9.190 1.00 0.00 H new ATOM 0 HB2 LEU D 40 2.839 -6.866 8.215 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.803 -8.136 9.422 1.00 0.00 H new ATOM 0 HG LEU D 40 4.383 -5.531 9.664 1.00 0.00 H new ATOM 0 HD11 LEU D 40 2.710 -4.977 11.414 1.00 0.00 H new ATOM 0 HD12 LEU D 40 1.928 -5.212 9.832 1.00 0.00 H new ATOM 0 HD13 LEU D 40 1.845 -6.493 11.065 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.764 -6.274 12.004 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.905 -7.794 11.661 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.446 -7.439 10.844 1.00 0.00 H new ATOM 1860 N TRP D 41 4.122 -8.193 6.095 1.00 0.00 N ATOM 1861 CA TRP D 41 3.786 -8.934 4.891 1.00 0.00 C ATOM 1862 C TRP D 41 4.976 -9.751 4.406 1.00 0.00 C ATOM 1863 O TRP D 41 4.817 -10.881 3.942 1.00 0.00 O ATOM 1864 CB TRP D 41 3.310 -7.984 3.798 1.00 0.00 C ATOM 1865 CG TRP D 41 3.109 -8.759 2.533 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.014 -9.502 2.241 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.961 -8.810 1.353 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.179 -10.058 0.987 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.354 -9.647 0.396 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.198 -8.228 1.031 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.952 -9.896 -0.835 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.799 -8.470 -0.213 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.178 -9.306 -1.140 1.00 0.00 C ATOM 0 H TRP D 41 4.135 -7.180 5.980 1.00 0.00 H new ATOM 0 HA TRP D 41 2.976 -9.624 5.130 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.379 -7.503 4.097 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.043 -7.192 3.642 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.155 -9.637 2.882 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.512 -10.695 0.552 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.691 -7.588 1.748 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.469 -10.544 -1.552 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.745 -8.008 -0.453 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.647 -9.497 -2.094 1.00 0.00 H new ATOM 1884 N ILE D 42 6.159 -9.171 4.515 1.00 0.00 N ATOM 1885 CA ILE D 42 7.369 -9.854 4.086 1.00 0.00 C ATOM 1886 C ILE D 42 7.593 -11.106 4.929 1.00 0.00 C ATOM 1887 O ILE D 42 7.906 -12.172 4.400 1.00 0.00 O ATOM 1888 CB ILE D 42 8.577 -8.910 4.222 1.00 0.00 C ATOM 1889 CG1 ILE D 42 8.587 -7.919 3.053 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.876 -9.721 4.209 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.540 -6.767 3.366 1.00 0.00 C ATOM 0 H ILE D 42 6.308 -8.236 4.894 1.00 0.00 H new ATOM 0 HA ILE D 42 7.258 -10.147 3.042 1.00 0.00 H new ATOM 0 HB ILE D 42 8.500 -8.366 5.164 1.00 0.00 H new ATOM 0 HG12 ILE D 42 8.898 -8.423 2.138 1.00 0.00 H new ATOM 0 HG13 ILE D 42 7.582 -7.536 2.879 1.00 0.00 H new ATOM 0 HG21 ILE D 42 10.727 -9.047 4.306 1.00 0.00 H new ATOM 0 HG22 ILE D 42 9.874 -10.424 5.042 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.953 -10.270 3.270 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.546 -6.063 2.534 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.209 -6.257 4.270 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.546 -7.158 3.518 1.00 0.00 H new ATOM 1903 N LEU D 43 7.448 -10.964 6.240 1.00 0.00 N ATOM 1904 CA LEU D 43 7.648 -12.086 7.144 1.00 0.00 C ATOM 1905 C LEU D 43 6.624 -13.178 6.874 1.00 0.00 C ATOM 1906 O LEU D 43 6.947 -14.366 6.899 1.00 0.00 O ATOM 1907 CB LEU D 43 7.526 -11.616 8.596 1.00 0.00 C ATOM 1908 CG LEU D 43 8.723 -10.726 8.951 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.451 -10.009 10.276 1.00 0.00 C ATOM 1910 CD2 LEU D 43 9.996 -11.583 9.083 1.00 0.00 C ATOM 0 H LEU D 43 7.194 -10.088 6.698 1.00 0.00 H new ATOM 0 HA LEU D 43 8.646 -12.490 6.976 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.596 -11.064 8.733 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.488 -12.476 9.265 1.00 0.00 H new ATOM 0 HG LEU D 43 8.868 -9.991 8.159 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.302 -9.376 10.529 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.557 -9.393 10.180 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.300 -10.746 11.065 1.00 0.00 H new ATOM 0 HD21 LEU D 43 10.841 -10.943 9.335 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.855 -12.325 9.869 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.194 -12.089 8.138 1.00 0.00 H new ATOM 1922 N ASP D 44 5.388 -12.768 6.620 1.00 0.00 N ATOM 1923 CA ASP D 44 4.318 -13.723 6.356 1.00 0.00 C ATOM 1924 C ASP D 44 4.675 -14.608 5.166 1.00 0.00 C ATOM 1925 O ASP D 44 4.456 -15.820 5.195 1.00 0.00 O ATOM 1926 CB ASP D 44 3.014 -12.977 6.065 1.00 0.00 C ATOM 1927 CG ASP D 44 1.882 -13.974 5.841 1.00 0.00 C ATOM 1928 OD1 ASP D 44 2.162 -15.160 5.807 1.00 0.00 O ATOM 1929 OD2 ASP D 44 0.751 -13.535 5.711 1.00 0.00 O ATOM 0 H ASP D 44 5.102 -11.789 6.591 1.00 0.00 H new ATOM 0 HA ASP D 44 4.189 -14.351 7.238 1.00 0.00 H new ATOM 0 HB2 ASP D 44 2.769 -12.317 6.897 1.00 0.00 H new ATOM 0 HB3 ASP D 44 3.135 -12.347 5.184 1.00 0.00 H new ATOM 1934 N ARG D 45 5.235 -13.998 4.126 1.00 0.00 N ATOM 1935 CA ARG D 45 5.626 -14.744 2.938 1.00 0.00 C ATOM 1936 C ARG D 45 6.718 -15.753 3.277 1.00 0.00 C ATOM 1937 O ARG D 45 6.680 -16.902 2.832 1.00 0.00 O ATOM 1938 CB ARG D 45 6.128 -13.785 1.859 1.00 0.00 C ATOM 1939 CG ARG D 45 6.452 -14.569 0.585 1.00 0.00 C ATOM 1940 CD ARG D 45 6.903 -13.602 -0.511 1.00 0.00 C ATOM 1941 NE ARG D 45 7.086 -14.315 -1.769 1.00 0.00 N ATOM 1942 CZ ARG D 45 7.767 -13.772 -2.773 1.00 0.00 C ATOM 1943 NH1 ARG D 45 8.283 -12.581 -2.643 1.00 0.00 N ATOM 1944 NH2 ARG D 45 7.919 -14.431 -3.890 1.00 0.00 N ATOM 0 H ARG D 45 5.427 -12.997 4.083 1.00 0.00 H new ATOM 0 HA ARG D 45 4.754 -15.281 2.565 1.00 0.00 H new ATOM 0 HB2 ARG D 45 5.371 -13.029 1.650 1.00 0.00 H new ATOM 0 HB3 ARG D 45 7.016 -13.259 2.210 1.00 0.00 H new ATOM 0 HG2 ARG D 45 7.236 -15.300 0.785 1.00 0.00 H new ATOM 0 HG3 ARG D 45 5.575 -15.125 0.255 1.00 0.00 H new ATOM 0 HD2 ARG D 45 6.162 -12.813 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG D 45 7.836 -13.120 -0.219 1.00 0.00 H new ATOM 0 HE ARG D 45 6.685 -15.246 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG D 45 8.164 -12.066 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG D 45 8.806 -12.165 -3.414 1.00 0.00 H new ATOM 0 HH21 ARG D 45 7.515 -15.362 -3.992 1.00 0.00 H new ATOM 0 HH22 ARG D 45 8.442 -14.015 -4.661 1.00 0.00 H new ATOM 1958 N LEU D 46 7.698 -15.317 4.059 1.00 0.00 N ATOM 1959 CA LEU D 46 8.797 -16.195 4.441 1.00 0.00 C ATOM 1960 C LEU D 46 8.296 -17.367 5.269 1.00 0.00 C ATOM 1961 O LEU D 46 8.704 -18.506 5.056 1.00 0.00 O ATOM 1962 CB LEU D 46 9.832 -15.397 5.252 1.00 0.00 C ATOM 1963 CG LEU D 46 10.728 -14.583 4.296 1.00 0.00 C ATOM 1964 CD1 LEU D 46 11.250 -13.339 5.015 1.00 0.00 C ATOM 1965 CD2 LEU D 46 11.915 -15.446 3.850 1.00 0.00 C ATOM 0 H LEU D 46 7.755 -14.372 4.438 1.00 0.00 H new ATOM 0 HA LEU D 46 9.257 -16.587 3.534 1.00 0.00 H new ATOM 0 HB2 LEU D 46 9.325 -14.729 5.948 1.00 0.00 H new ATOM 0 HB3 LEU D 46 10.442 -16.075 5.848 1.00 0.00 H new ATOM 0 HG LEU D 46 10.146 -14.282 3.425 1.00 0.00 H new ATOM 0 HD11 LEU D 46 11.883 -12.766 4.337 1.00 0.00 H new ATOM 0 HD12 LEU D 46 10.409 -12.723 5.334 1.00 0.00 H new ATOM 0 HD13 LEU D 46 11.831 -13.640 5.887 1.00 0.00 H new ATOM 0 HD21 LEU D 46 12.549 -14.872 3.174 1.00 0.00 H new ATOM 0 HD22 LEU D 46 12.494 -15.747 4.723 1.00 0.00 H new ATOM 0 HD23 LEU D 46 11.547 -16.333 3.335 1.00 0.00 H new ATOM 1977 N PHE D 47 7.422 -17.075 6.223 1.00 0.00 N ATOM 1978 CA PHE D 47 6.881 -18.112 7.087 1.00 0.00 C ATOM 1979 C PHE D 47 5.926 -19.006 6.315 1.00 0.00 C ATOM 1980 O PHE D 47 5.997 -20.232 6.413 1.00 0.00 O ATOM 1981 CB PHE D 47 6.146 -17.473 8.275 1.00 0.00 C ATOM 1982 CG PHE D 47 7.147 -17.080 9.341 1.00 0.00 C ATOM 1983 CD1 PHE D 47 8.230 -16.252 9.017 1.00 0.00 C ATOM 1984 CD2 PHE D 47 6.994 -17.547 10.653 1.00 0.00 C ATOM 1985 CE1 PHE D 47 9.155 -15.894 9.997 1.00 0.00 C ATOM 1986 CE2 PHE D 47 7.920 -17.188 11.635 1.00 0.00 C ATOM 1987 CZ PHE D 47 9.001 -16.361 11.309 1.00 0.00 C ATOM 0 H PHE D 47 7.075 -16.135 6.416 1.00 0.00 H new ATOM 0 HA PHE D 47 7.707 -18.719 7.457 1.00 0.00 H new ATOM 0 HB2 PHE D 47 5.591 -16.596 7.943 1.00 0.00 H new ATOM 0 HB3 PHE D 47 5.419 -18.174 8.685 1.00 0.00 H new ATOM 0 HD1 PHE D 47 8.348 -15.890 8.006 1.00 0.00 H new ATOM 0 HD2 PHE D 47 6.160 -18.185 10.905 1.00 0.00 H new ATOM 0 HE1 PHE D 47 9.990 -15.257 9.745 1.00 0.00 H new ATOM 0 HE2 PHE D 47 7.802 -17.549 12.646 1.00 0.00 H new ATOM 0 HZ PHE D 47 9.716 -16.083 12.069 1.00 0.00 H new ATOM 1997 N PHE D 48 5.023 -18.390 5.559 1.00 0.00 N ATOM 1998 CA PHE D 48 4.044 -19.146 4.777 1.00 0.00 C ATOM 1999 C PHE D 48 3.983 -18.620 3.353 1.00 0.00 C ATOM 2000 O PHE D 48 4.157 -17.430 3.113 1.00 0.00 O ATOM 2001 CB PHE D 48 2.664 -19.030 5.427 1.00 0.00 C ATOM 2002 CG PHE D 48 2.792 -19.215 6.925 1.00 0.00 C ATOM 2003 CD1 PHE D 48 3.408 -20.361 7.442 1.00 0.00 C ATOM 2004 CD2 PHE D 48 2.295 -18.236 7.797 1.00 0.00 C ATOM 2005 CE1 PHE D 48 3.528 -20.527 8.825 1.00 0.00 C ATOM 2006 CE2 PHE D 48 2.416 -18.403 9.180 1.00 0.00 C ATOM 2007 CZ PHE D 48 3.031 -19.548 9.694 1.00 0.00 C ATOM 0 H PHE D 48 4.946 -17.377 5.470 1.00 0.00 H new ATOM 0 HA PHE D 48 4.349 -20.192 4.753 1.00 0.00 H new ATOM 0 HB2 PHE D 48 2.228 -18.056 5.206 1.00 0.00 H new ATOM 0 HB3 PHE D 48 1.992 -19.782 5.014 1.00 0.00 H new ATOM 0 HD1 PHE D 48 3.791 -21.117 6.772 1.00 0.00 H new ATOM 0 HD2 PHE D 48 1.818 -17.352 7.400 1.00 0.00 H new ATOM 0 HE1 PHE D 48 4.004 -21.411 9.223 1.00 0.00 H new ATOM 0 HE2 PHE D 48 2.034 -17.647 9.851 1.00 0.00 H new ATOM 0 HZ PHE D 48 3.123 -19.678 10.762 1.00 0.00 H new ATOM 2017 N LYS D 49 3.730 -19.518 2.408 1.00 0.00 N ATOM 2018 CA LYS D 49 3.644 -19.133 1.003 1.00 0.00 C ATOM 2019 C LYS D 49 2.267 -18.560 0.685 1.00 0.00 C ATOM 2020 O LYS D 49 2.058 -17.389 0.951 1.00 0.00 O ATOM 2021 CB LYS D 49 3.913 -20.347 0.112 1.00 0.00 C ATOM 2022 CG LYS D 49 5.375 -20.774 0.258 1.00 0.00 C ATOM 2023 CD LYS D 49 5.645 -21.987 -0.635 1.00 0.00 C ATOM 2024 CE LYS D 49 7.104 -22.421 -0.482 1.00 0.00 C ATOM 2025 NZ LYS D 49 7.366 -23.601 -1.353 1.00 0.00 N ATOM 2026 OXT LYS D 49 1.442 -19.303 0.178 1.00 0.00 O ATOM 0 H LYS D 49 3.582 -20.511 2.586 1.00 0.00 H new ATOM 0 HA LYS D 49 4.395 -18.367 0.810 1.00 0.00 H new ATOM 0 HB2 LYS D 49 3.254 -21.169 0.391 1.00 0.00 H new ATOM 0 HB3 LYS D 49 3.697 -20.103 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS D 49 6.034 -19.951 -0.019 1.00 0.00 H new ATOM 0 HG3 LYS D 49 5.591 -21.019 1.298 1.00 0.00 H new ATOM 0 HD2 LYS D 49 4.980 -22.807 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS D 49 5.436 -21.739 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS D 49 7.769 -21.601 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS D 49 7.313 -22.670 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS D 49 8.358 -23.896 -1.249 1.00 0.00 H new ATOM 0 HZ2 LYS D 49 6.741 -24.384 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS D 49 7.182 -23.348 -2.345 1.00 0.00 H new TER 2040 LYS D 49 HETATM 2041 S 3LW C 100 2.562 8.478 0.548 1.00 0.00 S HETATM 2042 BR 3LW C 100 4.184 10.848 1.278 1.00 0.00 BR HETATM 2043 C1 3LW C 100 2.750 9.925 0.443 1.00 0.00 C HETATM 2044 C2 3LW C 100 1.806 10.510 -0.302 1.00 0.00 C HETATM 2045 N2 3LW C 100 1.623 6.005 -0.452 1.00 0.00 N HETATM 2046 C3 3LW C 100 0.965 9.569 -0.729 1.00 0.00 C HETATM 2047 C5 3LW C 100 0.649 7.092 -0.548 1.00 0.00 C HETATM 2048 C10 3LW C 100 1.118 4.648 -0.227 1.00 0.00 C HETATM 2049 C12 3LW C 100 1.344 8.375 -0.274 1.00 0.00 C HETATM 2050 C61 3LW C 100 2.284 3.622 -0.128 1.00 0.00 C HETATM 2051 C62 3LW C 100 0.196 4.173 -1.393 1.00 0.00 C HETATM 2052 C63 3LW C 100 0.309 4.523 1.103 1.00 0.00 C HETATM 2053 C71 3LW C 100 1.757 2.188 0.092 1.00 0.00 C HETATM 2054 C72 3LW C 100 -0.321 2.746 -1.157 1.00 0.00 C HETATM 2055 C73 3LW C 100 -0.214 3.091 1.312 1.00 0.00 C HETATM 2056 C81 3LW C 100 0.855 1.773 -1.071 1.00 0.00 C HETATM 2057 C82 3LW C 100 -1.128 2.698 0.144 1.00 0.00 C HETATM 2058 C83 3LW C 100 0.966 2.123 1.401 1.00 0.00 C