USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 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: A 8 TYR OH : rot -146:sc= -0.603 USER MOD Set 1.2: A 11 TYR OH : rot 2:sc= -0.659 USER MOD Single : A 3 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.442) USER MOD Single : A 5 LYS NZ :NH3+ 161:sc= -3.88! (180deg=-5.01!) USER MOD Single : A 6 LYS NZ :NH3+ 137:sc= 0.569 (180deg=-0.245) USER MOD Single : A 10 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0475) USER MOD Single : A 17 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.4!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 21 GLN : amide:sc= -4.28! C(o=-4.3!,f=-9.6!) USER MOD Single : A 23 ASN : amide:sc= -3.12! C(o=-3.1!,f=-10!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= -0.166 (180deg=-1.13) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.91! K(o=-1.9!,f=-0.94) USER MOD Single : A 34 SER OG : rot -28:sc= 0.234 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 143:sc= -0.311 (180deg=-1.62!) USER MOD Single : A 44 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.3!) USER MOD Single : A 46 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.4!) USER MOD Single : A 51 TYR OH : rot 50:sc= -3.07 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 89.633 -9.694 -53.748 1.00 0.00 N ATOM 2 CA ASP A 2 89.596 -10.431 -52.491 1.00 0.00 C ATOM 3 C ASP A 2 89.276 -11.902 -52.741 1.00 0.00 C ATOM 4 O ASP A 2 88.232 -12.400 -52.323 1.00 0.00 O ATOM 5 CB ASP A 2 88.541 -9.829 -51.562 1.00 0.00 C ATOM 6 CG ASP A 2 88.983 -8.445 -51.098 1.00 0.00 C ATOM 7 OD1 ASP A 2 90.128 -8.099 -51.340 1.00 0.00 O ATOM 8 OD2 ASP A 2 88.171 -7.751 -50.509 1.00 0.00 O ATOM 0 HA ASP A 2 90.577 -10.358 -52.021 1.00 0.00 H new ATOM 0 HB2 ASP A 2 87.585 -9.759 -52.081 1.00 0.00 H new ATOM 0 HB3 ASP A 2 88.390 -10.479 -50.700 1.00 0.00 H new ATOM 13 N LYS A 3 90.183 -12.591 -53.427 1.00 0.00 N ATOM 14 CA LYS A 3 89.987 -14.004 -53.730 1.00 0.00 C ATOM 15 C LYS A 3 90.197 -14.856 -52.482 1.00 0.00 C ATOM 16 O LYS A 3 89.478 -15.829 -52.255 1.00 0.00 O ATOM 17 CB LYS A 3 90.965 -14.443 -54.820 1.00 0.00 C ATOM 18 CG LYS A 3 90.878 -13.479 -56.005 1.00 0.00 C ATOM 19 CD LYS A 3 89.485 -13.562 -56.630 1.00 0.00 C ATOM 20 CE LYS A 3 89.521 -12.972 -58.041 1.00 0.00 C ATOM 21 NZ LYS A 3 90.273 -11.684 -58.020 1.00 0.00 N ATOM 0 H LYS A 3 91.055 -12.197 -53.781 1.00 0.00 H new ATOM 0 HA LYS A 3 88.964 -14.142 -54.081 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.981 -14.460 -54.426 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.732 -15.457 -55.145 1.00 0.00 H new ATOM 0 HG2 LYS A 3 91.079 -12.460 -55.674 1.00 0.00 H new ATOM 0 HG3 LYS A 3 91.636 -13.729 -56.747 1.00 0.00 H new ATOM 0 HD2 LYS A 3 89.153 -14.600 -56.667 1.00 0.00 H new ATOM 0 HD3 LYS A 3 88.767 -13.019 -56.016 1.00 0.00 H new ATOM 0 HE2 LYS A 3 89.996 -13.672 -58.728 1.00 0.00 H new ATOM 0 HE3 LYS A 3 88.507 -12.808 -58.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 89.985 -11.100 -58.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 90.066 -11.175 -57.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 91.293 -11.877 -58.077 1.00 0.00 H new ATOM 35 N CYS A 4 91.186 -14.483 -51.676 1.00 0.00 N ATOM 36 CA CYS A 4 91.484 -15.223 -50.455 1.00 0.00 C ATOM 37 C CYS A 4 90.328 -15.155 -49.469 1.00 0.00 C ATOM 38 O CYS A 4 90.050 -16.113 -48.746 1.00 0.00 O ATOM 39 CB CYS A 4 92.713 -14.623 -49.768 1.00 0.00 C ATOM 40 SG CYS A 4 94.117 -14.653 -50.910 1.00 0.00 S ATOM 0 H CYS A 4 91.791 -13.679 -51.844 1.00 0.00 H new ATOM 0 HA CYS A 4 91.661 -16.260 -50.741 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.505 -13.599 -49.457 1.00 0.00 H new ATOM 0 HB3 CYS A 4 92.951 -15.188 -48.867 1.00 0.00 H new ATOM 45 N LYS A 5 89.666 -14.004 -49.429 1.00 0.00 N ATOM 46 CA LYS A 5 88.556 -13.803 -48.505 1.00 0.00 C ATOM 47 C LYS A 5 87.321 -14.564 -48.976 1.00 0.00 C ATOM 48 O LYS A 5 86.774 -14.277 -50.041 1.00 0.00 O ATOM 49 CB LYS A 5 88.231 -12.312 -48.396 1.00 0.00 C ATOM 50 CG LYS A 5 89.520 -11.497 -48.517 1.00 0.00 C ATOM 51 CD LYS A 5 90.493 -11.915 -47.411 1.00 0.00 C ATOM 52 CE LYS A 5 91.735 -11.025 -47.461 1.00 0.00 C ATOM 53 NZ LYS A 5 92.770 -11.562 -46.533 1.00 0.00 N ATOM 0 H LYS A 5 89.877 -13.201 -50.021 1.00 0.00 H new ATOM 0 HA LYS A 5 88.849 -14.182 -47.526 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.531 -12.024 -49.180 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.745 -12.104 -47.443 1.00 0.00 H new ATOM 0 HG2 LYS A 5 89.974 -11.657 -49.495 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.299 -10.433 -48.439 1.00 0.00 H new ATOM 0 HD2 LYS A 5 90.011 -11.830 -46.437 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.776 -12.960 -47.537 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.127 -10.987 -48.477 1.00 0.00 H new ATOM 0 HE3 LYS A 5 91.475 -10.004 -47.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 93.701 -11.175 -46.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 92.538 -11.287 -45.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 92.795 -12.599 -46.604 1.00 0.00 H new ATOM 67 N LYS A 6 86.889 -15.533 -48.177 1.00 0.00 N ATOM 68 CA LYS A 6 85.714 -16.325 -48.520 1.00 0.00 C ATOM 69 C LYS A 6 84.669 -16.240 -47.412 1.00 0.00 C ATOM 70 O LYS A 6 85.003 -16.256 -46.228 1.00 0.00 O ATOM 71 CB LYS A 6 86.114 -17.787 -48.735 1.00 0.00 C ATOM 72 CG LYS A 6 87.071 -17.884 -49.926 1.00 0.00 C ATOM 73 CD LYS A 6 87.343 -19.355 -50.244 1.00 0.00 C ATOM 74 CE LYS A 6 88.423 -19.454 -51.323 1.00 0.00 C ATOM 75 NZ LYS A 6 89.748 -19.110 -50.732 1.00 0.00 N ATOM 0 H LYS A 6 87.331 -15.788 -47.294 1.00 0.00 H new ATOM 0 HA LYS A 6 85.286 -15.926 -49.440 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.592 -18.180 -47.838 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.228 -18.395 -48.916 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.639 -17.387 -50.795 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.006 -17.372 -49.698 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.664 -19.879 -49.344 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.428 -19.839 -50.585 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.448 -20.462 -51.737 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.193 -18.777 -52.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.466 -19.780 -51.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 90.014 -18.145 -51.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.690 -19.165 -49.695 1.00 0.00 H new ATOM 89 N VAL A 7 83.402 -16.148 -47.805 1.00 0.00 N ATOM 90 CA VAL A 7 82.318 -16.040 -46.835 1.00 0.00 C ATOM 91 C VAL A 7 81.446 -17.291 -46.861 1.00 0.00 C ATOM 92 O VAL A 7 81.009 -17.733 -47.924 1.00 0.00 O ATOM 93 CB VAL A 7 81.461 -14.812 -47.144 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.794 -14.984 -48.509 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.383 -14.660 -46.068 1.00 0.00 C ATOM 0 H VAL A 7 83.102 -16.146 -48.780 1.00 0.00 H new ATOM 0 HA VAL A 7 82.755 -15.938 -45.842 1.00 0.00 H new ATOM 0 HB VAL A 7 82.092 -13.924 -47.157 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.183 -14.108 -48.728 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.560 -15.094 -49.277 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.163 -15.873 -48.496 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.771 -13.785 -46.287 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.753 -15.549 -46.056 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.856 -14.537 -45.094 1.00 0.00 H new ATOM 105 N TYR A 8 81.194 -17.855 -45.685 1.00 0.00 N ATOM 106 CA TYR A 8 80.323 -19.020 -45.578 1.00 0.00 C ATOM 107 C TYR A 8 79.446 -18.920 -44.333 1.00 0.00 C ATOM 108 O TYR A 8 79.943 -18.957 -43.207 1.00 0.00 O ATOM 109 CB TYR A 8 81.164 -20.297 -45.512 1.00 0.00 C ATOM 110 CG TYR A 8 81.647 -20.514 -44.098 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.858 -19.950 -43.679 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.885 -21.277 -43.206 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.307 -20.151 -42.368 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.334 -21.478 -41.895 1.00 0.00 C ATOM 115 CZ TYR A 8 82.545 -20.915 -41.476 1.00 0.00 C ATOM 116 OH TYR A 8 82.987 -21.113 -40.184 1.00 0.00 O ATOM 0 H TYR A 8 81.577 -17.528 -44.798 1.00 0.00 H new ATOM 0 HA TYR A 8 79.682 -19.054 -46.459 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.572 -21.152 -45.840 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.014 -20.220 -46.189 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.446 -19.360 -44.367 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.950 -21.711 -43.529 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.241 -19.717 -42.045 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.746 -22.067 -41.207 1.00 0.00 H new ATOM 0 HH TYR A 8 82.718 -22.005 -39.879 1.00 0.00 H new ATOM 126 N GLU A 9 78.141 -18.790 -44.546 1.00 0.00 N ATOM 127 CA GLU A 9 77.211 -18.604 -43.439 1.00 0.00 C ATOM 128 C GLU A 9 77.122 -19.867 -42.590 1.00 0.00 C ATOM 129 O GLU A 9 77.807 -19.993 -41.574 1.00 0.00 O ATOM 130 CB GLU A 9 75.822 -18.252 -43.979 1.00 0.00 C ATOM 131 CG GLU A 9 75.929 -17.045 -44.913 1.00 0.00 C ATOM 132 CD GLU A 9 74.539 -16.610 -45.363 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.595 -17.334 -45.089 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.438 -15.559 -45.975 1.00 0.00 O ATOM 0 H GLU A 9 77.706 -18.810 -45.468 1.00 0.00 H new ATOM 0 HA GLU A 9 77.579 -17.789 -42.816 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.402 -19.103 -44.514 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.145 -18.028 -43.154 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.429 -16.222 -44.402 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.538 -17.299 -45.780 1.00 0.00 H new ATOM 141 N ASN A 10 76.273 -20.800 -43.009 1.00 0.00 N ATOM 142 CA ASN A 10 76.031 -22.006 -42.226 1.00 0.00 C ATOM 143 C ASN A 10 75.459 -21.645 -40.860 1.00 0.00 C ATOM 144 O ASN A 10 74.369 -22.087 -40.494 1.00 0.00 O ATOM 145 CB ASN A 10 77.336 -22.784 -42.046 1.00 0.00 C ATOM 146 CG ASN A 10 77.806 -23.332 -43.388 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.071 -23.278 -44.374 1.00 0.00 O ATOM 148 ND2 ASN A 10 78.996 -23.858 -43.486 1.00 0.00 N ATOM 0 H ASN A 10 75.745 -20.745 -43.880 1.00 0.00 H new ATOM 0 HA ASN A 10 75.311 -22.627 -42.759 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.101 -22.134 -41.621 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.187 -23.603 -41.342 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.319 -24.226 -44.381 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.603 -23.902 -42.668 1.00 0.00 H new ATOM 155 N TYR A 11 76.200 -20.835 -40.112 1.00 0.00 N ATOM 156 CA TYR A 11 75.710 -20.318 -38.841 1.00 0.00 C ATOM 157 C TYR A 11 75.690 -18.793 -38.860 1.00 0.00 C ATOM 158 O TYR A 11 76.734 -18.146 -38.775 1.00 0.00 O ATOM 159 CB TYR A 11 76.601 -20.807 -37.697 1.00 0.00 C ATOM 160 CG TYR A 11 78.001 -20.274 -37.884 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.350 -19.026 -37.356 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.949 -21.028 -38.586 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.649 -18.532 -37.529 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.246 -20.534 -38.759 1.00 0.00 C ATOM 165 CZ TYR A 11 80.597 -19.286 -38.230 1.00 0.00 C ATOM 166 OH TYR A 11 81.877 -18.800 -38.400 1.00 0.00 O ATOM 0 H TYR A 11 77.138 -20.524 -40.363 1.00 0.00 H new ATOM 0 HA TYR A 11 74.695 -20.683 -38.687 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.198 -20.473 -36.741 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.616 -21.897 -37.674 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.618 -18.444 -36.815 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.679 -21.991 -38.994 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.919 -17.569 -37.121 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.977 -21.115 -39.301 1.00 0.00 H new ATOM 0 HH TYR A 11 81.962 -17.936 -37.945 1.00 0.00 H new ATOM 176 N PRO A 12 74.524 -18.218 -38.975 1.00 0.00 N ATOM 177 CA PRO A 12 74.354 -16.743 -39.068 1.00 0.00 C ATOM 178 C PRO A 12 75.151 -15.996 -38.002 1.00 0.00 C ATOM 179 O PRO A 12 75.892 -16.603 -37.227 1.00 0.00 O ATOM 180 CB PRO A 12 72.812 -16.519 -38.897 1.00 0.00 C ATOM 181 CG PRO A 12 72.216 -17.814 -39.348 1.00 0.00 C ATOM 182 CD PRO A 12 73.232 -18.918 -39.027 1.00 0.00 C ATOM 0 HA PRO A 12 74.731 -16.353 -40.013 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.552 -16.297 -37.862 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.459 -15.683 -39.501 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.271 -18.001 -38.838 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.002 -17.787 -40.416 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.005 -19.404 -38.078 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.231 -19.695 -39.792 1.00 0.00 H new ATOM 190 N VAL A 13 74.993 -14.678 -37.970 1.00 0.00 N ATOM 191 CA VAL A 13 75.742 -13.848 -37.033 1.00 0.00 C ATOM 192 C VAL A 13 75.625 -14.402 -35.617 1.00 0.00 C ATOM 193 O VAL A 13 76.326 -13.958 -34.707 1.00 0.00 O ATOM 194 CB VAL A 13 75.213 -12.414 -37.069 1.00 0.00 C ATOM 195 CG1 VAL A 13 74.732 -12.084 -38.484 1.00 0.00 C ATOM 196 CG2 VAL A 13 74.045 -12.277 -36.091 1.00 0.00 C ATOM 0 H VAL A 13 74.357 -14.163 -38.578 1.00 0.00 H new ATOM 0 HA VAL A 13 76.791 -13.854 -37.327 1.00 0.00 H new ATOM 0 HB VAL A 13 76.009 -11.726 -36.785 1.00 0.00 H new ATOM 0 HG11 VAL A 13 74.355 -11.062 -38.511 1.00 0.00 H new ATOM 0 HG12 VAL A 13 75.563 -12.183 -39.183 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.936 -12.772 -38.767 1.00 0.00 H new ATOM 0 HG21 VAL A 13 73.667 -11.255 -36.116 1.00 0.00 H new ATOM 0 HG22 VAL A 13 73.249 -12.965 -36.376 1.00 0.00 H new ATOM 0 HG23 VAL A 13 74.385 -12.513 -35.083 1.00 0.00 H new ATOM 206 N SER A 14 74.737 -15.373 -35.439 1.00 0.00 N ATOM 207 CA SER A 14 74.505 -15.950 -34.120 1.00 0.00 C ATOM 208 C SER A 14 75.823 -16.131 -33.376 1.00 0.00 C ATOM 209 O SER A 14 75.955 -15.732 -32.219 1.00 0.00 O ATOM 210 CB SER A 14 73.804 -17.302 -34.258 1.00 0.00 C ATOM 211 OG SER A 14 73.386 -17.747 -32.974 1.00 0.00 O ATOM 0 H SER A 14 74.170 -15.775 -36.185 1.00 0.00 H new ATOM 0 HA SER A 14 73.871 -15.269 -33.552 1.00 0.00 H new ATOM 0 HB2 SER A 14 72.945 -17.213 -34.922 1.00 0.00 H new ATOM 0 HB3 SER A 14 74.479 -18.031 -34.706 1.00 0.00 H new ATOM 0 HG SER A 14 72.935 -18.613 -33.059 1.00 0.00 H new ATOM 217 N LYS A 15 76.798 -16.735 -34.048 1.00 0.00 N ATOM 218 CA LYS A 15 78.102 -16.969 -33.438 1.00 0.00 C ATOM 219 C LYS A 15 78.975 -15.723 -33.553 1.00 0.00 C ATOM 220 O LYS A 15 79.744 -15.405 -32.646 1.00 0.00 O ATOM 221 CB LYS A 15 78.797 -18.147 -34.122 1.00 0.00 C ATOM 222 CG LYS A 15 77.933 -19.403 -33.980 1.00 0.00 C ATOM 223 CD LYS A 15 78.750 -20.631 -34.385 1.00 0.00 C ATOM 224 CE LYS A 15 77.853 -21.871 -34.362 1.00 0.00 C ATOM 225 NZ LYS A 15 77.579 -22.259 -32.950 1.00 0.00 N ATOM 0 H LYS A 15 76.711 -17.069 -35.008 1.00 0.00 H new ATOM 0 HA LYS A 15 77.953 -17.201 -32.383 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.962 -17.923 -35.176 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.777 -18.314 -33.675 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.588 -19.506 -32.951 1.00 0.00 H new ATOM 0 HG3 LYS A 15 77.046 -19.320 -34.607 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.168 -20.490 -35.382 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.590 -20.764 -33.703 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.917 -21.666 -34.882 1.00 0.00 H new ATOM 0 HE3 LYS A 15 78.337 -22.693 -34.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.101 -23.182 -32.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 78.476 -22.323 -32.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.969 -21.543 -32.505 1.00 0.00 H new ATOM 239 N CYS A 16 78.852 -15.024 -34.677 1.00 0.00 N ATOM 240 CA CYS A 16 79.669 -13.841 -34.923 1.00 0.00 C ATOM 241 C CYS A 16 79.595 -12.882 -33.740 1.00 0.00 C ATOM 242 O CYS A 16 80.295 -11.870 -33.704 1.00 0.00 O ATOM 243 CB CYS A 16 79.191 -13.131 -36.190 1.00 0.00 C ATOM 244 SG CYS A 16 80.262 -11.711 -36.526 1.00 0.00 S ATOM 0 H CYS A 16 78.200 -15.254 -35.427 1.00 0.00 H new ATOM 0 HA CYS A 16 80.704 -14.158 -35.053 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.207 -13.820 -37.034 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.159 -12.801 -36.068 1.00 0.00 H new ATOM 249 N GLN A 17 78.742 -13.207 -32.773 1.00 0.00 N ATOM 250 CA GLN A 17 78.599 -12.374 -31.584 1.00 0.00 C ATOM 251 C GLN A 17 79.941 -12.214 -30.878 1.00 0.00 C ATOM 252 O GLN A 17 80.155 -11.253 -30.140 1.00 0.00 O ATOM 253 CB GLN A 17 77.586 -13.003 -30.625 1.00 0.00 C ATOM 254 CG GLN A 17 76.208 -13.036 -31.287 1.00 0.00 C ATOM 255 CD GLN A 17 75.638 -11.624 -31.375 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.922 -10.784 -30.520 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.847 -11.310 -32.364 1.00 0.00 N ATOM 0 H GLN A 17 78.144 -14.034 -32.788 1.00 0.00 H new ATOM 0 HA GLN A 17 78.244 -11.390 -31.892 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.898 -14.013 -30.361 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.542 -12.430 -29.699 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.285 -13.469 -32.284 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.535 -13.674 -30.714 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.613 -12.007 -33.071 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.463 -10.368 -32.430 1.00 0.00 H new ATOM 266 N LEU A 18 80.842 -13.163 -31.113 1.00 0.00 N ATOM 267 CA LEU A 18 82.176 -13.097 -30.527 1.00 0.00 C ATOM 268 C LEU A 18 83.242 -13.218 -31.612 1.00 0.00 C ATOM 269 O LEU A 18 83.357 -14.252 -32.271 1.00 0.00 O ATOM 270 CB LEU A 18 82.356 -14.224 -29.508 1.00 0.00 C ATOM 271 CG LEU A 18 81.292 -14.101 -28.417 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.990 -15.485 -27.839 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.808 -13.187 -27.303 1.00 0.00 C ATOM 0 H LEU A 18 80.675 -13.980 -31.700 1.00 0.00 H new ATOM 0 HA LEU A 18 82.286 -12.134 -30.028 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.275 -15.192 -30.003 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.352 -14.174 -29.067 1.00 0.00 H new ATOM 0 HG LEU A 18 80.382 -13.679 -28.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.231 -15.397 -27.061 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.623 -16.138 -28.631 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.900 -15.908 -27.412 1.00 0.00 H new ATOM 0 HD21 LEU A 18 81.050 -13.099 -26.525 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.718 -13.610 -26.877 1.00 0.00 H new ATOM 0 HD23 LEU A 18 82.024 -12.200 -27.713 1.00 0.00 H new ATOM 285 N ALA A 19 84.020 -12.156 -31.792 1.00 0.00 N ATOM 286 CA ALA A 19 85.050 -12.144 -32.823 1.00 0.00 C ATOM 287 C ALA A 19 85.955 -13.365 -32.689 1.00 0.00 C ATOM 288 O ALA A 19 86.725 -13.682 -33.594 1.00 0.00 O ATOM 289 CB ALA A 19 85.890 -10.870 -32.710 1.00 0.00 C ATOM 0 H ALA A 19 83.958 -11.299 -31.242 1.00 0.00 H new ATOM 0 HA ALA A 19 84.562 -12.171 -33.797 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.657 -10.870 -33.484 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.248 -9.998 -32.835 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.365 -10.833 -31.729 1.00 0.00 H new ATOM 295 N ASN A 20 85.855 -14.046 -31.551 1.00 0.00 N ATOM 296 CA ASN A 20 86.677 -15.223 -31.302 1.00 0.00 C ATOM 297 C ASN A 20 86.000 -16.477 -31.848 1.00 0.00 C ATOM 298 O ASN A 20 86.635 -17.522 -31.998 1.00 0.00 O ATOM 299 CB ASN A 20 86.919 -15.384 -29.800 1.00 0.00 C ATOM 300 CG ASN A 20 87.425 -14.073 -29.209 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.250 -13.393 -29.820 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.977 -13.675 -28.050 1.00 0.00 N ATOM 0 H ASN A 20 85.217 -13.804 -30.792 1.00 0.00 H new ATOM 0 HA ASN A 20 87.631 -15.089 -31.811 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.995 -15.683 -29.305 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.646 -16.176 -29.624 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.310 -12.799 -27.648 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.294 -14.240 -27.546 1.00 0.00 H new ATOM 309 N GLN A 21 84.709 -16.367 -32.142 1.00 0.00 N ATOM 310 CA GLN A 21 83.948 -17.508 -32.637 1.00 0.00 C ATOM 311 C GLN A 21 84.234 -17.739 -34.118 1.00 0.00 C ATOM 312 O GLN A 21 84.539 -18.857 -34.533 1.00 0.00 O ATOM 313 CB GLN A 21 82.450 -17.265 -32.437 1.00 0.00 C ATOM 314 CG GLN A 21 81.782 -18.561 -31.971 1.00 0.00 C ATOM 315 CD GLN A 21 81.908 -19.628 -33.052 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.895 -19.314 -34.243 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.029 -20.881 -32.708 1.00 0.00 N ATOM 0 H GLN A 21 84.171 -15.506 -32.047 1.00 0.00 H new ATOM 0 HA GLN A 21 84.250 -18.393 -32.076 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.293 -16.477 -31.700 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.998 -16.925 -33.369 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.247 -18.909 -31.049 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.731 -18.379 -31.749 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.040 -21.140 -31.722 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.113 -21.601 -33.426 1.00 0.00 H new ATOM 326 N CYS A 22 84.133 -16.676 -34.909 1.00 0.00 N ATOM 327 CA CYS A 22 84.369 -16.779 -36.343 1.00 0.00 C ATOM 328 C CYS A 22 85.679 -17.511 -36.620 1.00 0.00 C ATOM 329 O CYS A 22 85.690 -18.559 -37.267 1.00 0.00 O ATOM 330 CB CYS A 22 84.421 -15.383 -36.966 1.00 0.00 C ATOM 331 SG CYS A 22 82.744 -14.713 -37.092 1.00 0.00 S ATOM 0 H CYS A 22 83.891 -15.740 -34.584 1.00 0.00 H new ATOM 0 HA CYS A 22 83.549 -17.344 -36.787 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.042 -14.725 -36.358 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.880 -15.431 -37.954 1.00 0.00 H new ATOM 336 N ASN A 23 86.778 -16.952 -36.126 1.00 0.00 N ATOM 337 CA ASN A 23 88.089 -17.561 -36.326 1.00 0.00 C ATOM 338 C ASN A 23 88.031 -19.061 -36.054 1.00 0.00 C ATOM 339 O ASN A 23 88.488 -19.867 -36.865 1.00 0.00 O ATOM 340 CB ASN A 23 89.114 -16.912 -35.395 1.00 0.00 C ATOM 341 CG ASN A 23 88.725 -15.463 -35.122 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.938 -14.879 -35.867 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.233 -14.843 -34.092 1.00 0.00 N ATOM 0 H ASN A 23 86.789 -16.085 -35.588 1.00 0.00 H new ATOM 0 HA ASN A 23 88.387 -17.402 -37.362 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.168 -17.466 -34.458 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.105 -16.952 -35.847 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.978 -13.874 -33.904 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.885 -15.328 -33.475 1.00 0.00 H new ATOM 350 N TYR A 24 87.467 -19.428 -34.908 1.00 0.00 N ATOM 351 CA TYR A 24 87.341 -20.835 -34.545 1.00 0.00 C ATOM 352 C TYR A 24 86.653 -21.618 -35.660 1.00 0.00 C ATOM 353 O TYR A 24 87.227 -22.551 -36.221 1.00 0.00 O ATOM 354 CB TYR A 24 86.537 -20.971 -33.252 1.00 0.00 C ATOM 355 CG TYR A 24 87.478 -20.968 -32.071 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.327 -19.877 -31.855 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.502 -22.058 -31.192 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.200 -19.874 -30.761 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.375 -22.056 -30.097 1.00 0.00 C ATOM 360 CZ TYR A 24 89.224 -20.963 -29.882 1.00 0.00 C ATOM 361 OH TYR A 24 90.084 -20.960 -28.803 1.00 0.00 O ATOM 0 H TYR A 24 87.092 -18.776 -34.219 1.00 0.00 H new ATOM 0 HA TYR A 24 88.341 -21.242 -34.395 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.825 -20.150 -33.166 1.00 0.00 H new ATOM 0 HB3 TYR A 24 85.958 -21.894 -33.267 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.309 -19.037 -32.533 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.847 -22.900 -31.359 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.855 -19.032 -30.595 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.394 -22.896 -29.419 1.00 0.00 H new ATOM 0 HH TYR A 24 89.973 -21.790 -28.294 1.00 0.00 H new ATOM 371 N ASP A 25 85.421 -21.231 -35.975 1.00 0.00 N ATOM 372 CA ASP A 25 84.667 -21.898 -37.030 1.00 0.00 C ATOM 373 C ASP A 25 85.373 -21.743 -38.374 1.00 0.00 C ATOM 374 O ASP A 25 85.484 -22.700 -39.142 1.00 0.00 O ATOM 375 CB ASP A 25 83.259 -21.307 -37.120 1.00 0.00 C ATOM 376 CG ASP A 25 82.482 -21.616 -35.845 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.994 -22.364 -35.029 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.386 -21.098 -35.704 1.00 0.00 O ATOM 0 H ASP A 25 84.927 -20.465 -35.518 1.00 0.00 H new ATOM 0 HA ASP A 25 84.601 -22.959 -36.788 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.317 -20.229 -37.268 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.737 -21.720 -37.983 1.00 0.00 H new ATOM 383 N CYS A 26 85.846 -20.533 -38.653 1.00 0.00 N ATOM 384 CA CYS A 26 86.533 -20.263 -39.911 1.00 0.00 C ATOM 385 C CYS A 26 87.796 -21.110 -40.026 1.00 0.00 C ATOM 386 O CYS A 26 88.163 -21.548 -41.116 1.00 0.00 O ATOM 387 CB CYS A 26 86.901 -18.780 -39.996 1.00 0.00 C ATOM 388 SG CYS A 26 86.208 -18.074 -41.512 1.00 0.00 S ATOM 0 H CYS A 26 85.767 -19.729 -38.030 1.00 0.00 H new ATOM 0 HA CYS A 26 85.863 -20.519 -40.731 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.517 -18.248 -39.126 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.985 -18.662 -39.989 1.00 0.00 H new ATOM 393 N LYS A 27 88.455 -21.337 -38.895 1.00 0.00 N ATOM 394 CA LYS A 27 89.679 -22.131 -38.882 1.00 0.00 C ATOM 395 C LYS A 27 89.351 -23.620 -38.913 1.00 0.00 C ATOM 396 O LYS A 27 90.067 -24.412 -39.527 1.00 0.00 O ATOM 397 CB LYS A 27 90.497 -21.812 -37.629 1.00 0.00 C ATOM 398 CG LYS A 27 91.061 -20.393 -37.736 1.00 0.00 C ATOM 399 CD LYS A 27 91.344 -19.850 -36.334 1.00 0.00 C ATOM 400 CE LYS A 27 92.481 -20.650 -35.696 1.00 0.00 C ATOM 401 NZ LYS A 27 93.661 -20.648 -36.606 1.00 0.00 N ATOM 0 H LYS A 27 88.166 -20.986 -37.982 1.00 0.00 H new ATOM 0 HA LYS A 27 90.262 -21.880 -39.768 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.871 -21.900 -36.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.309 -22.530 -37.519 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.977 -20.398 -38.328 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.351 -19.746 -38.252 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.614 -18.795 -36.389 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.447 -19.918 -35.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.750 -20.216 -34.733 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.157 -21.673 -35.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.534 -20.694 -36.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.613 -21.472 -37.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.661 -19.776 -37.173 1.00 0.00 H new ATOM 415 N LEU A 28 88.264 -23.996 -38.248 1.00 0.00 N ATOM 416 CA LEU A 28 87.862 -25.396 -38.187 1.00 0.00 C ATOM 417 C LEU A 28 87.051 -25.774 -39.422 1.00 0.00 C ATOM 418 O LEU A 28 86.996 -26.942 -39.807 1.00 0.00 O ATOM 419 CB LEU A 28 87.029 -25.646 -36.929 1.00 0.00 C ATOM 420 CG LEU A 28 87.853 -25.286 -35.692 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.915 -24.969 -34.526 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.751 -26.468 -35.317 1.00 0.00 C ATOM 0 H LEU A 28 87.649 -23.355 -37.747 1.00 0.00 H new ATOM 0 HA LEU A 28 88.761 -26.012 -38.154 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.118 -25.049 -36.959 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.723 -26.691 -36.884 1.00 0.00 H new ATOM 0 HG LEU A 28 88.470 -24.414 -35.908 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.503 -24.713 -33.645 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.275 -24.128 -34.792 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.297 -25.840 -34.309 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.339 -26.213 -34.435 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.134 -27.340 -35.101 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.421 -26.694 -36.147 1.00 0.00 H new ATOM 434 N ASP A 29 86.423 -24.778 -40.039 1.00 0.00 N ATOM 435 CA ASP A 29 85.559 -25.027 -41.188 1.00 0.00 C ATOM 436 C ASP A 29 86.361 -24.950 -42.484 1.00 0.00 C ATOM 437 O ASP A 29 86.463 -25.931 -43.222 1.00 0.00 O ATOM 438 CB ASP A 29 84.428 -23.999 -41.225 1.00 0.00 C ATOM 439 CG ASP A 29 83.532 -24.166 -40.002 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.795 -25.062 -39.217 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.596 -23.396 -39.869 1.00 0.00 O ATOM 0 H ASP A 29 86.495 -23.798 -39.765 1.00 0.00 H new ATOM 0 HA ASP A 29 85.136 -26.027 -41.092 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.842 -22.991 -41.248 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.842 -24.124 -42.135 1.00 0.00 H new ATOM 446 N LYS A 30 86.928 -23.779 -42.754 1.00 0.00 N ATOM 447 CA LYS A 30 87.648 -23.560 -44.003 1.00 0.00 C ATOM 448 C LYS A 30 89.139 -23.376 -43.736 1.00 0.00 C ATOM 449 O LYS A 30 89.932 -23.221 -44.665 1.00 0.00 O ATOM 450 CB LYS A 30 87.097 -22.322 -44.714 1.00 0.00 C ATOM 451 CG LYS A 30 85.573 -22.295 -44.586 1.00 0.00 C ATOM 452 CD LYS A 30 84.979 -23.515 -45.294 1.00 0.00 C ATOM 453 CE LYS A 30 83.460 -23.359 -45.391 1.00 0.00 C ATOM 454 NZ LYS A 30 82.880 -24.558 -46.062 1.00 0.00 N ATOM 0 H LYS A 30 86.904 -22.973 -42.130 1.00 0.00 H new ATOM 0 HA LYS A 30 87.510 -24.434 -44.639 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.525 -21.419 -44.279 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.384 -22.336 -45.765 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.286 -22.296 -43.535 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.177 -21.379 -45.024 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.409 -23.616 -46.290 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.228 -24.424 -44.746 1.00 0.00 H new ATOM 0 HE2 LYS A 30 83.031 -23.243 -44.396 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.211 -22.459 -45.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.847 -24.453 -46.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.281 -24.649 -47.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.107 -25.409 -45.509 1.00 0.00 H new ATOM 468 N HIS A 31 89.512 -23.395 -42.460 1.00 0.00 N ATOM 469 CA HIS A 31 90.912 -23.238 -42.080 1.00 0.00 C ATOM 470 C HIS A 31 91.410 -21.840 -42.431 1.00 0.00 C ATOM 471 O HIS A 31 92.330 -21.681 -43.234 1.00 0.00 O ATOM 472 CB HIS A 31 91.769 -24.281 -42.800 1.00 0.00 C ATOM 473 CG HIS A 31 91.051 -25.602 -42.807 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.194 -26.526 -41.784 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.182 -26.169 -43.706 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.429 -27.591 -42.088 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.791 -27.425 -43.250 1.00 0.00 N ATOM 0 H HIS A 31 88.870 -23.517 -41.677 1.00 0.00 H new ATOM 0 HA HIS A 31 90.994 -23.381 -41.002 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.970 -23.959 -43.822 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.733 -24.382 -42.302 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.852 -25.711 -44.627 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.342 -28.471 -41.469 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.154 -28.078 -43.706 1.00 0.00 H new ATOM 485 N ALA A 32 90.798 -20.828 -41.823 1.00 0.00 N ATOM 486 CA ALA A 32 91.191 -19.447 -42.079 1.00 0.00 C ATOM 487 C ALA A 32 92.306 -19.022 -41.128 1.00 0.00 C ATOM 488 O ALA A 32 92.945 -19.860 -40.492 1.00 0.00 O ATOM 489 CB ALA A 32 89.988 -18.520 -41.902 1.00 0.00 C ATOM 0 H ALA A 32 90.035 -20.937 -41.155 1.00 0.00 H new ATOM 0 HA ALA A 32 91.556 -19.377 -43.104 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.290 -17.491 -42.095 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.203 -18.805 -42.602 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.612 -18.603 -40.882 1.00 0.00 H new ATOM 495 N ARG A 33 92.535 -17.716 -41.038 1.00 0.00 N ATOM 496 CA ARG A 33 93.579 -17.192 -40.167 1.00 0.00 C ATOM 497 C ARG A 33 92.971 -16.354 -39.046 1.00 0.00 C ATOM 498 O ARG A 33 93.296 -16.540 -37.874 1.00 0.00 O ATOM 499 CB ARG A 33 94.552 -16.334 -40.977 1.00 0.00 C ATOM 500 CG ARG A 33 95.160 -17.174 -42.102 1.00 0.00 C ATOM 501 CD ARG A 33 96.203 -16.346 -42.852 1.00 0.00 C ATOM 502 NE ARG A 33 96.544 -16.987 -44.117 1.00 0.00 N ATOM 503 CZ ARG A 33 97.711 -16.759 -44.711 1.00 0.00 C ATOM 504 NH1 ARG A 33 98.573 -15.947 -44.165 1.00 0.00 N ATOM 505 NH2 ARG A 33 97.993 -17.347 -45.842 1.00 0.00 N ATOM 0 H ARG A 33 92.015 -17.006 -41.554 1.00 0.00 H new ATOM 0 HA ARG A 33 94.115 -18.033 -39.727 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.032 -15.471 -41.393 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.340 -15.950 -40.329 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.621 -18.072 -41.691 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.379 -17.502 -42.788 1.00 0.00 H new ATOM 0 HD2 ARG A 33 95.817 -15.344 -43.037 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.098 -16.235 -42.240 1.00 0.00 H new ATOM 0 HE ARG A 33 95.875 -17.621 -44.554 1.00 0.00 H new ATOM 0 HH11 ARG A 33 98.352 -15.487 -43.282 1.00 0.00 H new ATOM 0 HH12 ARG A 33 99.469 -15.772 -44.621 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.318 -17.981 -46.269 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.888 -17.172 -46.298 1.00 0.00 H new ATOM 519 N SER A 34 92.089 -15.433 -39.415 1.00 0.00 N ATOM 520 CA SER A 34 91.476 -14.542 -38.436 1.00 0.00 C ATOM 521 C SER A 34 89.955 -14.643 -38.496 1.00 0.00 C ATOM 522 O SER A 34 89.254 -14.122 -37.628 1.00 0.00 O ATOM 523 CB SER A 34 91.903 -13.099 -38.704 1.00 0.00 C ATOM 524 OG SER A 34 91.455 -12.271 -37.639 1.00 0.00 O ATOM 0 H SER A 34 91.784 -15.284 -40.377 1.00 0.00 H new ATOM 0 HA SER A 34 91.810 -14.842 -37.442 1.00 0.00 H new ATOM 0 HB2 SER A 34 92.988 -13.039 -38.795 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.485 -12.753 -39.649 1.00 0.00 H new ATOM 0 HG SER A 34 90.651 -12.661 -37.237 1.00 0.00 H new ATOM 530 N GLY A 35 89.451 -15.316 -39.525 1.00 0.00 N ATOM 531 CA GLY A 35 88.011 -15.470 -39.692 1.00 0.00 C ATOM 532 C GLY A 35 87.274 -14.215 -39.239 1.00 0.00 C ATOM 533 O GLY A 35 86.565 -14.228 -38.232 1.00 0.00 O ATOM 0 H GLY A 35 90.014 -15.760 -40.251 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.782 -15.674 -40.738 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.664 -16.328 -39.117 1.00 0.00 H new ATOM 537 N GLU A 36 87.447 -13.130 -39.987 1.00 0.00 N ATOM 538 CA GLU A 36 86.828 -11.860 -39.627 1.00 0.00 C ATOM 539 C GLU A 36 85.416 -11.771 -40.197 1.00 0.00 C ATOM 540 O GLU A 36 85.150 -12.251 -41.299 1.00 0.00 O ATOM 541 CB GLU A 36 87.670 -10.698 -40.160 1.00 0.00 C ATOM 542 CG GLU A 36 88.747 -10.336 -39.136 1.00 0.00 C ATOM 543 CD GLU A 36 88.109 -9.676 -37.919 1.00 0.00 C ATOM 544 OE1 GLU A 36 86.972 -9.249 -38.027 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.767 -9.608 -36.893 1.00 0.00 O ATOM 0 H GLU A 36 88.006 -13.104 -40.840 1.00 0.00 H new ATOM 0 HA GLU A 36 86.773 -11.800 -38.540 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.132 -10.975 -41.107 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.034 -9.834 -40.356 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.287 -11.232 -38.832 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.476 -9.661 -39.586 1.00 0.00 H new ATOM 552 N CYS A 37 84.516 -11.154 -39.439 1.00 0.00 N ATOM 553 CA CYS A 37 83.135 -11.000 -39.881 1.00 0.00 C ATOM 554 C CYS A 37 82.995 -9.783 -40.790 1.00 0.00 C ATOM 555 O CYS A 37 83.794 -8.849 -40.720 1.00 0.00 O ATOM 556 CB CYS A 37 82.145 -10.767 -38.697 1.00 0.00 C ATOM 557 SG CYS A 37 81.388 -12.298 -38.097 1.00 0.00 S ATOM 0 H CYS A 37 84.716 -10.755 -38.522 1.00 0.00 H new ATOM 0 HA CYS A 37 82.891 -11.929 -40.395 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.676 -10.285 -37.876 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.360 -10.081 -39.016 1.00 0.00 H new ATOM 562 N PHE A 38 81.974 -9.800 -41.641 1.00 0.00 N ATOM 563 CA PHE A 38 81.719 -8.678 -42.536 1.00 0.00 C ATOM 564 C PHE A 38 80.222 -8.509 -42.770 1.00 0.00 C ATOM 565 O PHE A 38 79.425 -9.374 -42.406 1.00 0.00 O ATOM 566 CB PHE A 38 82.424 -8.906 -43.875 1.00 0.00 C ATOM 567 CG PHE A 38 83.918 -8.801 -43.683 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.635 -9.883 -43.160 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.586 -7.619 -44.027 1.00 0.00 C ATOM 570 CE1 PHE A 38 86.019 -9.785 -42.982 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.970 -7.521 -43.848 1.00 0.00 C ATOM 572 CZ PHE A 38 86.687 -8.604 -43.326 1.00 0.00 C ATOM 0 H PHE A 38 81.314 -10.573 -41.729 1.00 0.00 H new ATOM 0 HA PHE A 38 82.107 -7.772 -42.071 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.166 -9.888 -44.271 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.088 -8.169 -44.605 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.120 -10.794 -42.894 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.033 -6.784 -44.430 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.572 -10.621 -42.579 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.485 -6.610 -44.113 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.756 -8.528 -43.189 1.00 0.00 H new ATOM 582 N TYR A 39 79.845 -7.390 -43.381 1.00 0.00 N ATOM 583 CA TYR A 39 78.439 -7.118 -43.658 1.00 0.00 C ATOM 584 C TYR A 39 78.097 -7.481 -45.099 1.00 0.00 C ATOM 585 O TYR A 39 78.748 -7.019 -46.036 1.00 0.00 O ATOM 586 CB TYR A 39 78.135 -5.638 -43.415 1.00 0.00 C ATOM 587 CG TYR A 39 78.071 -5.375 -41.929 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.856 -5.511 -41.247 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.226 -4.996 -41.235 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.796 -5.267 -39.870 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.166 -4.752 -39.857 1.00 0.00 C ATOM 592 CZ TYR A 39 77.951 -4.888 -39.174 1.00 0.00 C ATOM 593 OH TYR A 39 77.892 -4.648 -37.816 1.00 0.00 O ATOM 0 H TYR A 39 80.488 -6.662 -43.692 1.00 0.00 H new ATOM 0 HA TYR A 39 77.832 -7.727 -42.989 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.906 -5.018 -43.872 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.189 -5.368 -43.884 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.965 -5.804 -41.783 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.163 -4.892 -41.762 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.859 -5.371 -39.344 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.057 -4.459 -39.321 1.00 0.00 H new ATOM 0 HH TYR A 39 78.781 -4.396 -37.489 1.00 0.00 H new ATOM 603 N ASP A 40 77.074 -8.311 -45.268 1.00 0.00 N ATOM 604 CA ASP A 40 76.649 -8.723 -46.601 1.00 0.00 C ATOM 605 C ASP A 40 75.380 -7.983 -47.013 1.00 0.00 C ATOM 606 O ASP A 40 75.060 -6.928 -46.466 1.00 0.00 O ATOM 607 CB ASP A 40 76.392 -10.231 -46.624 1.00 0.00 C ATOM 608 CG ASP A 40 77.705 -10.986 -46.441 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.721 -10.335 -46.269 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.673 -12.205 -46.476 1.00 0.00 O ATOM 0 H ASP A 40 76.527 -8.710 -44.505 1.00 0.00 H new ATOM 0 HA ASP A 40 77.443 -8.478 -47.306 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.694 -10.502 -45.832 1.00 0.00 H new ATOM 0 HB3 ASP A 40 75.928 -10.515 -47.569 1.00 0.00 H new ATOM 615 N GLU A 41 74.662 -8.544 -47.980 1.00 0.00 N ATOM 616 CA GLU A 41 73.433 -7.925 -48.462 1.00 0.00 C ATOM 617 C GLU A 41 72.370 -7.921 -47.368 1.00 0.00 C ATOM 618 O GLU A 41 71.422 -7.137 -47.413 1.00 0.00 O ATOM 619 CB GLU A 41 72.910 -8.685 -49.682 1.00 0.00 C ATOM 620 CG GLU A 41 73.917 -8.571 -50.827 1.00 0.00 C ATOM 621 CD GLU A 41 73.382 -9.279 -52.067 1.00 0.00 C ATOM 622 OE1 GLU A 41 72.376 -9.959 -51.948 1.00 0.00 O ATOM 623 OE2 GLU A 41 73.987 -9.133 -53.117 1.00 0.00 O ATOM 0 H GLU A 41 74.907 -9.419 -48.442 1.00 0.00 H new ATOM 0 HA GLU A 41 73.653 -6.895 -48.742 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.749 -9.733 -49.429 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.946 -8.280 -49.990 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.107 -7.521 -51.051 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.869 -9.011 -50.530 1.00 0.00 H new ATOM 630 N LYS A 42 72.535 -8.803 -46.387 1.00 0.00 N ATOM 631 CA LYS A 42 71.579 -8.897 -45.290 1.00 0.00 C ATOM 632 C LYS A 42 72.100 -8.160 -44.061 1.00 0.00 C ATOM 633 O LYS A 42 71.646 -8.399 -42.942 1.00 0.00 O ATOM 634 CB LYS A 42 71.330 -10.365 -44.938 1.00 0.00 C ATOM 635 CG LYS A 42 70.737 -11.087 -46.150 1.00 0.00 C ATOM 636 CD LYS A 42 70.684 -12.590 -45.873 1.00 0.00 C ATOM 637 CE LYS A 42 69.489 -12.902 -44.970 1.00 0.00 C ATOM 638 NZ LYS A 42 68.244 -12.371 -45.595 1.00 0.00 N ATOM 0 H LYS A 42 73.315 -9.458 -46.329 1.00 0.00 H new ATOM 0 HA LYS A 42 70.644 -8.436 -45.608 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.263 -10.842 -44.638 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.649 -10.436 -44.090 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.736 -10.709 -46.358 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.342 -10.891 -47.035 1.00 0.00 H new ATOM 0 HD2 LYS A 42 70.598 -13.140 -46.810 1.00 0.00 H new ATOM 0 HD3 LYS A 42 71.608 -12.915 -45.396 1.00 0.00 H new ATOM 0 HE2 LYS A 42 69.403 -13.978 -44.820 1.00 0.00 H new ATOM 0 HE3 LYS A 42 69.635 -12.454 -43.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 67.458 -13.028 -45.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 68.019 -11.442 -45.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 68.385 -12.272 -46.621 1.00 0.00 H new ATOM 652 N ARG A 43 73.055 -7.260 -44.276 1.00 0.00 N ATOM 653 CA ARG A 43 73.640 -6.503 -43.176 1.00 0.00 C ATOM 654 C ARG A 43 73.965 -7.425 -42.004 1.00 0.00 C ATOM 655 O ARG A 43 74.092 -6.976 -40.866 1.00 0.00 O ATOM 656 CB ARG A 43 72.668 -5.414 -42.717 1.00 0.00 C ATOM 657 CG ARG A 43 72.928 -4.131 -43.509 1.00 0.00 C ATOM 658 CD ARG A 43 74.237 -3.496 -43.038 1.00 0.00 C ATOM 659 NE ARG A 43 75.236 -3.551 -44.099 1.00 0.00 N ATOM 660 CZ ARG A 43 76.397 -2.915 -43.984 1.00 0.00 C ATOM 661 NH1 ARG A 43 76.658 -2.224 -42.909 1.00 0.00 N ATOM 662 NH2 ARG A 43 77.275 -2.979 -44.948 1.00 0.00 N ATOM 0 H ARG A 43 73.438 -7.039 -45.195 1.00 0.00 H new ATOM 0 HA ARG A 43 74.563 -6.042 -43.527 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.640 -5.743 -42.865 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.792 -5.227 -41.650 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.983 -4.354 -44.575 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.103 -3.433 -43.371 1.00 0.00 H new ATOM 0 HD2 ARG A 43 74.063 -2.460 -42.747 1.00 0.00 H new ATOM 0 HD3 ARG A 43 74.605 -4.018 -42.155 1.00 0.00 H new ATOM 0 HE ARG A 43 75.040 -4.087 -44.944 1.00 0.00 H new ATOM 0 HH11 ARG A 43 75.971 -2.172 -42.157 1.00 0.00 H new ATOM 0 HH12 ARG A 43 77.549 -1.736 -42.820 1.00 0.00 H new ATOM 0 HH21 ARG A 43 77.070 -3.517 -45.790 1.00 0.00 H new ATOM 0 HH22 ARG A 43 78.166 -2.491 -44.859 1.00 0.00 H new ATOM 676 N ASN A 44 74.098 -8.716 -42.293 1.00 0.00 N ATOM 677 CA ASN A 44 74.400 -9.693 -41.255 1.00 0.00 C ATOM 678 C ASN A 44 75.905 -9.923 -41.158 1.00 0.00 C ATOM 679 O ASN A 44 76.623 -9.830 -42.153 1.00 0.00 O ATOM 680 CB ASN A 44 73.698 -11.018 -41.563 1.00 0.00 C ATOM 681 CG ASN A 44 72.249 -10.960 -41.095 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.795 -9.927 -40.603 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.490 -12.015 -41.218 1.00 0.00 N ATOM 0 H ASN A 44 74.002 -9.107 -43.230 1.00 0.00 H new ATOM 0 HA ASN A 44 74.040 -9.305 -40.302 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.735 -11.219 -42.634 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.217 -11.838 -41.067 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.519 -11.984 -40.906 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.868 -12.870 -41.626 1.00 0.00 H new ATOM 690 N LEU A 45 76.376 -10.224 -39.951 1.00 0.00 N ATOM 691 CA LEU A 45 77.795 -10.492 -39.741 1.00 0.00 C ATOM 692 C LEU A 45 78.129 -11.933 -40.112 1.00 0.00 C ATOM 693 O LEU A 45 77.734 -12.871 -39.419 1.00 0.00 O ATOM 694 CB LEU A 45 78.163 -10.242 -38.278 1.00 0.00 C ATOM 695 CG LEU A 45 77.303 -9.105 -37.722 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.656 -8.869 -36.253 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.569 -7.828 -38.522 1.00 0.00 C ATOM 0 H LEU A 45 75.802 -10.288 -39.111 1.00 0.00 H new ATOM 0 HA LEU A 45 78.370 -9.822 -40.380 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.008 -11.149 -37.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.219 -9.986 -38.196 1.00 0.00 H new ATOM 0 HG LEU A 45 76.250 -9.373 -37.803 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.043 -8.059 -35.857 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.467 -9.779 -35.683 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.709 -8.601 -36.170 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.957 -7.017 -38.127 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.622 -7.560 -38.440 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.317 -7.996 -39.569 1.00 0.00 H new ATOM 709 N GLN A 46 78.860 -12.102 -41.209 1.00 0.00 N ATOM 710 CA GLN A 46 79.223 -13.435 -41.677 1.00 0.00 C ATOM 711 C GLN A 46 80.720 -13.671 -41.511 1.00 0.00 C ATOM 712 O GLN A 46 81.539 -12.917 -42.037 1.00 0.00 O ATOM 713 CB GLN A 46 78.839 -13.594 -43.149 1.00 0.00 C ATOM 714 CG GLN A 46 77.375 -13.193 -43.343 1.00 0.00 C ATOM 715 CD GLN A 46 76.461 -14.237 -42.710 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.935 -15.254 -42.204 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.170 -14.044 -42.708 1.00 0.00 N ATOM 0 H GLN A 46 79.211 -11.338 -41.787 1.00 0.00 H new ATOM 0 HA GLN A 46 78.683 -14.169 -41.080 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.482 -12.973 -43.772 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.989 -14.626 -43.465 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.194 -12.217 -42.892 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.153 -13.099 -44.406 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.780 -13.200 -43.128 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.551 -14.737 -42.286 1.00 0.00 H new ATOM 726 N CYS A 47 81.071 -14.722 -40.776 1.00 0.00 N ATOM 727 CA CYS A 47 82.474 -15.066 -40.573 1.00 0.00 C ATOM 728 C CYS A 47 83.150 -15.366 -41.908 1.00 0.00 C ATOM 729 O CYS A 47 82.846 -16.367 -42.557 1.00 0.00 O ATOM 730 CB CYS A 47 82.634 -16.298 -39.667 1.00 0.00 C ATOM 731 SG CYS A 47 81.721 -16.124 -38.113 1.00 0.00 S ATOM 0 H CYS A 47 80.409 -15.346 -40.314 1.00 0.00 H new ATOM 0 HA CYS A 47 82.942 -14.206 -40.094 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.283 -17.184 -40.196 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.691 -16.453 -39.451 1.00 0.00 H new ATOM 736 N ILE A 48 84.069 -14.494 -42.310 1.00 0.00 N ATOM 737 CA ILE A 48 84.768 -14.666 -43.578 1.00 0.00 C ATOM 738 C ILE A 48 86.173 -15.215 -43.344 1.00 0.00 C ATOM 739 O ILE A 48 86.991 -14.587 -42.673 1.00 0.00 O ATOM 740 CB ILE A 48 84.858 -13.327 -44.311 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.450 -12.855 -44.681 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.687 -13.497 -45.585 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.539 -11.779 -45.764 1.00 0.00 C ATOM 0 H ILE A 48 84.345 -13.667 -41.781 1.00 0.00 H new ATOM 0 HA ILE A 48 84.208 -15.376 -44.187 1.00 0.00 H new ATOM 0 HB ILE A 48 85.333 -12.590 -43.664 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.855 -13.696 -45.037 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.945 -12.458 -43.800 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.751 -12.543 -46.107 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.690 -13.836 -45.324 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.212 -14.234 -46.233 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.536 -11.443 -46.027 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.118 -10.934 -45.391 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.027 -12.191 -46.647 1.00 0.00 H new ATOM 755 N CYS A 49 86.443 -16.390 -43.902 1.00 0.00 N ATOM 756 CA CYS A 49 87.763 -16.998 -43.777 1.00 0.00 C ATOM 757 C CYS A 49 88.750 -16.338 -44.733 1.00 0.00 C ATOM 758 O CYS A 49 88.548 -16.339 -45.948 1.00 0.00 O ATOM 759 CB CYS A 49 87.674 -18.478 -44.126 1.00 0.00 C ATOM 760 SG CYS A 49 86.677 -19.419 -42.945 1.00 0.00 S ATOM 0 H CYS A 49 85.772 -16.937 -44.441 1.00 0.00 H new ATOM 0 HA CYS A 49 88.107 -16.865 -42.751 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.246 -18.586 -45.123 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.679 -18.899 -44.163 1.00 0.00 H new ATOM 765 N ASP A 50 89.818 -15.776 -44.178 1.00 0.00 N ATOM 766 CA ASP A 50 90.810 -15.078 -44.988 1.00 0.00 C ATOM 767 C ASP A 50 92.149 -15.808 -44.942 1.00 0.00 C ATOM 768 O ASP A 50 92.806 -15.856 -43.902 1.00 0.00 O ATOM 769 CB ASP A 50 90.989 -13.647 -44.478 1.00 0.00 C ATOM 770 CG ASP A 50 89.628 -13.011 -44.221 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.688 -13.372 -44.911 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.545 -12.171 -43.340 1.00 0.00 O ATOM 0 H ASP A 50 90.019 -15.789 -43.178 1.00 0.00 H new ATOM 0 HA ASP A 50 90.457 -15.054 -46.019 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.577 -13.650 -43.560 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.543 -13.058 -45.209 1.00 0.00 H new ATOM 777 N TYR A 51 92.547 -16.375 -46.076 1.00 0.00 N ATOM 778 CA TYR A 51 93.839 -17.044 -46.171 1.00 0.00 C ATOM 779 C TYR A 51 94.832 -16.185 -46.946 1.00 0.00 C ATOM 780 O TYR A 51 95.329 -16.589 -47.998 1.00 0.00 O ATOM 781 CB TYR A 51 93.674 -18.396 -46.868 1.00 0.00 C ATOM 782 CG TYR A 51 92.260 -18.890 -46.680 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.250 -18.471 -47.554 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.958 -19.766 -45.630 1.00 0.00 C ATOM 785 CE1 TYR A 51 89.938 -18.929 -47.379 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.646 -20.223 -45.454 1.00 0.00 C ATOM 787 CZ TYR A 51 89.636 -19.804 -46.329 1.00 0.00 C ATOM 788 OH TYR A 51 88.343 -20.255 -46.156 1.00 0.00 O ATOM 0 H TYR A 51 91.998 -16.385 -46.936 1.00 0.00 H new ATOM 0 HA TYR A 51 94.223 -17.199 -45.163 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.899 -18.299 -47.930 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.380 -19.118 -46.457 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.482 -17.795 -48.363 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.737 -20.089 -44.956 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.159 -18.607 -48.054 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.413 -20.898 -44.644 1.00 0.00 H new ATOM 0 HH TYR A 51 87.999 -20.597 -47.008 1.00 0.00 H new ATOM 798 N CYS A 52 95.116 -14.997 -46.421 1.00 0.00 N ATOM 799 CA CYS A 52 96.031 -14.077 -47.085 1.00 0.00 C ATOM 800 C CYS A 52 96.339 -12.884 -46.185 1.00 0.00 C ATOM 801 O CYS A 52 96.029 -12.897 -44.994 1.00 0.00 O ATOM 802 CB CYS A 52 95.415 -13.583 -48.395 1.00 0.00 C ATOM 803 SG CYS A 52 95.731 -14.794 -49.704 1.00 0.00 S ATOM 0 H CYS A 52 94.728 -14.651 -45.543 1.00 0.00 H new ATOM 0 HA CYS A 52 96.959 -14.608 -47.297 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.342 -13.436 -48.272 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.840 -12.617 -48.668 1.00 0.00 H new ATOM 808 N GLU A 53 96.951 -11.855 -46.762 1.00 0.00 N ATOM 809 CA GLU A 53 97.282 -10.653 -46.006 1.00 0.00 C ATOM 810 C GLU A 53 96.254 -9.556 -46.265 1.00 0.00 C ATOM 811 O GLU A 53 96.522 -8.602 -46.995 1.00 0.00 O ATOM 812 CB GLU A 53 98.674 -10.156 -46.400 1.00 0.00 C ATOM 813 CG GLU A 53 99.723 -11.185 -45.976 1.00 0.00 C ATOM 814 CD GLU A 53 101.121 -10.670 -46.301 1.00 0.00 C ATOM 815 OE1 GLU A 53 101.215 -9.655 -46.971 1.00 0.00 O ATOM 816 OE2 GLU A 53 102.077 -11.298 -45.875 1.00 0.00 O ATOM 0 H GLU A 53 97.226 -11.829 -47.744 1.00 0.00 H new ATOM 0 HA GLU A 53 97.272 -10.900 -44.944 1.00 0.00 H new ATOM 0 HB2 GLU A 53 98.723 -9.994 -47.477 1.00 0.00 H new ATOM 0 HB3 GLU A 53 98.877 -9.197 -45.924 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.639 -11.383 -44.907 1.00 0.00 H new ATOM 0 HG3 GLU A 53 99.546 -12.130 -46.490 1.00 0.00 H new ATOM 823 N TYR A 54 95.078 -9.700 -45.663 1.00 0.00 N ATOM 824 CA TYR A 54 94.020 -8.709 -45.832 1.00 0.00 C ATOM 825 C TYR A 54 94.588 -7.297 -45.740 1.00 0.00 C ATOM 826 CB TYR A 54 92.949 -8.902 -44.755 1.00 0.00 C ATOM 827 CG TYR A 54 93.613 -9.149 -43.423 1.00 0.00 C ATOM 828 CD1 TYR A 54 93.918 -10.456 -43.023 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.925 -8.071 -42.585 1.00 0.00 C ATOM 830 CE1 TYR A 54 94.533 -10.685 -41.787 1.00 0.00 C ATOM 831 CE2 TYR A 54 94.542 -8.300 -41.350 1.00 0.00 C ATOM 832 CZ TYR A 54 94.845 -9.608 -40.950 1.00 0.00 C ATOM 833 OH TYR A 54 95.452 -9.833 -39.731 1.00 0.00 O ATOM 0 H TYR A 54 94.834 -10.485 -45.059 1.00 0.00 H new ATOM 0 HA TYR A 54 93.574 -8.845 -46.817 1.00 0.00 H new ATOM 0 HB2 TYR A 54 92.313 -8.019 -44.698 1.00 0.00 H new ATOM 0 HB3 TYR A 54 92.305 -9.743 -45.014 1.00 0.00 H new ATOM 0 HD1 TYR A 54 93.678 -11.288 -43.669 1.00 0.00 H new ATOM 0 HD2 TYR A 54 93.689 -7.063 -42.892 1.00 0.00 H new ATOM 0 HE1 TYR A 54 94.767 -11.693 -41.479 1.00 0.00 H new ATOM 0 HE2 TYR A 54 94.785 -7.468 -40.705 1.00 0.00 H new ATOM 0 HH TYR A 54 95.600 -8.978 -39.276 1.00 0.00 H new TER 843 TYR A 54