USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 LYS NZ :NH3+ -122:sc= -1.78 (180deg=-4.02!) USER MOD Single : A 1 SER N :NH3+ -121:sc= 0.113 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -84:sc= -3.52! USER MOD Single : A 21 ASN : amide:sc= -4.87! C(o=-4.9!,f=-6.2!) USER MOD Single : A 22 ASN : amide:sc= -9.88! C(o=-9.9!,f=-3.7!) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.491) USER MOD Single : A 24 THR OG1 : rot -130:sc= -0.433 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= -0.574 (180deg=-1.28!) USER MOD Single : A 35 MET CE :methyl -128:sc= -2.17 (180deg=-6.37!) USER MOD Single : A 37 SER OG : rot -110:sc= 0.384! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -55:sc= 0.103 USER MOD Single : A 48 GLN : amide:sc= -2.7 K(o=-2.7,f=-0.67) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00634 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -38:sc= 0.433 USER MOD Single : A 67 SER OG : rot 180:sc= -0.556 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -173:sc= -0.0255 (180deg=-0.17) USER MOD Single : A 76 HIS : no HE2:sc= -1.04 K(o=-1,f=-3!) USER MOD Single : A 79 SER OG : rot 43:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 24.817 3.693 7.829 1.00 0.00 N ATOM 2 CA SER A 1 23.990 3.264 8.992 1.00 0.00 C ATOM 3 C SER A 1 23.067 2.120 8.567 1.00 0.00 C ATOM 4 O SER A 1 22.939 1.815 7.398 1.00 0.00 O ATOM 5 CB SER A 1 23.147 4.443 9.481 1.00 0.00 C ATOM 6 OG SER A 1 22.186 4.776 8.488 1.00 0.00 O ATOM 0 H1 SER A 1 25.825 3.585 8.061 1.00 0.00 H new ATOM 0 H2 SER A 1 24.587 3.104 7.003 1.00 0.00 H new ATOM 0 H3 SER A 1 24.617 4.690 7.610 1.00 0.00 H new ATOM 0 HA SER A 1 24.643 2.925 9.796 1.00 0.00 H new ATOM 0 HB2 SER A 1 22.648 4.185 10.415 1.00 0.00 H new ATOM 0 HB3 SER A 1 23.786 5.301 9.687 1.00 0.00 H new ATOM 0 HG SER A 1 21.643 5.530 8.799 1.00 0.00 H new ATOM 14 N ASP A 2 22.423 1.484 9.507 1.00 0.00 N ATOM 15 CA ASP A 2 21.509 0.362 9.154 1.00 0.00 C ATOM 16 C ASP A 2 20.668 -0.016 10.375 1.00 0.00 C ATOM 17 O ASP A 2 20.730 -1.127 10.863 1.00 0.00 O ATOM 18 CB ASP A 2 22.336 -0.847 8.709 1.00 0.00 C ATOM 19 CG ASP A 2 23.378 -1.174 9.779 1.00 0.00 C ATOM 20 OD1 ASP A 2 23.994 -0.248 10.282 1.00 0.00 O ATOM 21 OD2 ASP A 2 23.544 -2.346 10.079 1.00 0.00 O ATOM 0 H ASP A 2 22.490 1.693 10.503 1.00 0.00 H new ATOM 0 HA ASP A 2 20.850 0.671 8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.685 -1.706 8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 2 22.828 -0.635 7.760 1.00 0.00 H new ATOM 26 N VAL A 3 19.882 0.904 10.876 1.00 0.00 N ATOM 27 CA VAL A 3 19.032 0.618 12.071 1.00 0.00 C ATOM 28 C VAL A 3 17.585 0.370 11.637 1.00 0.00 C ATOM 29 O VAL A 3 16.968 -0.601 12.027 1.00 0.00 O ATOM 30 CB VAL A 3 19.074 1.814 13.012 1.00 0.00 C ATOM 31 CG1 VAL A 3 18.207 1.536 14.243 1.00 0.00 C ATOM 32 CG2 VAL A 3 20.518 2.070 13.447 1.00 0.00 C ATOM 0 H VAL A 3 19.793 1.850 10.504 1.00 0.00 H new ATOM 0 HA VAL A 3 19.412 -0.269 12.577 1.00 0.00 H new ATOM 0 HB VAL A 3 18.689 2.693 12.495 1.00 0.00 H new ATOM 0 HG11 VAL A 3 18.241 2.395 14.913 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.178 1.359 13.931 1.00 0.00 H new ATOM 0 HG13 VAL A 3 18.585 0.655 14.763 1.00 0.00 H new ATOM 0 HG21 VAL A 3 20.549 2.926 14.121 1.00 0.00 H new ATOM 0 HG22 VAL A 3 20.905 1.190 13.961 1.00 0.00 H new ATOM 0 HG23 VAL A 3 21.131 2.277 12.570 1.00 0.00 H new ATOM 42 N TYR A 4 17.035 1.247 10.842 1.00 0.00 N ATOM 43 CA TYR A 4 15.623 1.070 10.396 1.00 0.00 C ATOM 44 C TYR A 4 15.555 -0.067 9.371 1.00 0.00 C ATOM 45 O TYR A 4 14.511 -0.649 9.146 1.00 0.00 O ATOM 46 CB TYR A 4 15.118 2.383 9.766 1.00 0.00 C ATOM 47 CG TYR A 4 14.541 3.293 10.835 1.00 0.00 C ATOM 48 CD1 TYR A 4 15.157 3.389 12.091 1.00 0.00 C ATOM 49 CD2 TYR A 4 13.387 4.040 10.566 1.00 0.00 C ATOM 50 CE1 TYR A 4 14.620 4.228 13.072 1.00 0.00 C ATOM 51 CE2 TYR A 4 12.851 4.880 11.548 1.00 0.00 C ATOM 52 CZ TYR A 4 13.467 4.975 12.802 1.00 0.00 C ATOM 53 OH TYR A 4 12.937 5.802 13.771 1.00 0.00 O ATOM 0 H TYR A 4 17.502 2.079 10.482 1.00 0.00 H new ATOM 0 HA TYR A 4 14.993 0.820 11.249 1.00 0.00 H new ATOM 0 HB2 TYR A 4 15.937 2.887 9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 4 14.358 2.165 9.015 1.00 0.00 H new ATOM 0 HD1 TYR A 4 16.047 2.814 12.301 1.00 0.00 H new ATOM 0 HD2 TYR A 4 12.911 3.967 9.600 1.00 0.00 H new ATOM 0 HE1 TYR A 4 15.095 4.300 14.039 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.961 5.456 11.339 1.00 0.00 H new ATOM 0 HH TYR A 4 12.138 6.248 13.419 1.00 0.00 H new ATOM 63 N CYS A 5 16.655 -0.391 8.750 1.00 0.00 N ATOM 64 CA CYS A 5 16.640 -1.493 7.746 1.00 0.00 C ATOM 65 C CYS A 5 16.264 -2.801 8.442 1.00 0.00 C ATOM 66 O CYS A 5 15.556 -3.626 7.898 1.00 0.00 O ATOM 67 CB CYS A 5 18.027 -1.632 7.112 1.00 0.00 C ATOM 68 SG CYS A 5 17.923 -2.694 5.652 1.00 0.00 S ATOM 0 H CYS A 5 17.560 0.057 8.893 1.00 0.00 H new ATOM 0 HA CYS A 5 15.911 -1.267 6.968 1.00 0.00 H new ATOM 0 HB2 CYS A 5 18.411 -0.650 6.834 1.00 0.00 H new ATOM 0 HB3 CYS A 5 18.727 -2.055 7.833 1.00 0.00 H new ATOM 73 N GLU A 6 16.732 -2.998 9.645 1.00 0.00 N ATOM 74 CA GLU A 6 16.402 -4.252 10.380 1.00 0.00 C ATOM 75 C GLU A 6 15.025 -4.112 11.033 1.00 0.00 C ATOM 76 O GLU A 6 14.167 -4.958 10.880 1.00 0.00 O ATOM 77 CB GLU A 6 17.456 -4.501 11.461 1.00 0.00 C ATOM 78 CG GLU A 6 18.792 -4.845 10.803 1.00 0.00 C ATOM 79 CD GLU A 6 19.857 -5.045 11.883 1.00 0.00 C ATOM 80 OE1 GLU A 6 19.527 -5.602 12.917 1.00 0.00 O ATOM 81 OE2 GLU A 6 20.985 -4.638 11.658 1.00 0.00 O ATOM 0 H GLU A 6 17.329 -2.344 10.151 1.00 0.00 H new ATOM 0 HA GLU A 6 16.391 -5.090 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.565 -3.616 12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 6 17.139 -5.316 12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.692 -5.750 10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 6 19.092 -4.046 10.125 1.00 0.00 H new ATOM 88 N VAL A 7 14.809 -3.050 11.759 1.00 0.00 N ATOM 89 CA VAL A 7 13.489 -2.855 12.421 1.00 0.00 C ATOM 90 C VAL A 7 12.372 -2.994 11.383 1.00 0.00 C ATOM 91 O VAL A 7 11.432 -3.743 11.565 1.00 0.00 O ATOM 92 CB VAL A 7 13.432 -1.458 13.043 1.00 0.00 C ATOM 93 CG1 VAL A 7 12.105 -1.281 13.782 1.00 0.00 C ATOM 94 CG2 VAL A 7 14.590 -1.292 14.031 1.00 0.00 C ATOM 0 H VAL A 7 15.490 -2.309 11.922 1.00 0.00 H new ATOM 0 HA VAL A 7 13.359 -3.607 13.200 1.00 0.00 H new ATOM 0 HB VAL A 7 13.513 -0.708 12.256 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.065 -0.286 14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.279 -1.399 13.080 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.024 -2.031 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.550 -0.297 14.474 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.508 -2.043 14.817 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.537 -1.418 13.506 1.00 0.00 H new ATOM 104 N CYS A 8 12.467 -2.276 10.299 1.00 0.00 N ATOM 105 CA CYS A 8 11.412 -2.358 9.250 1.00 0.00 C ATOM 106 C CYS A 8 11.239 -3.813 8.800 1.00 0.00 C ATOM 107 O CYS A 8 10.135 -4.309 8.687 1.00 0.00 O ATOM 108 CB CYS A 8 11.827 -1.498 8.052 1.00 0.00 C ATOM 109 SG CYS A 8 13.243 -2.264 7.220 1.00 0.00 S ATOM 0 H CYS A 8 13.232 -1.634 10.093 1.00 0.00 H new ATOM 0 HA CYS A 8 10.467 -1.995 9.655 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.994 -1.398 7.357 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.087 -0.493 8.385 1.00 0.00 H new ATOM 114 N GLU A 9 12.321 -4.492 8.529 1.00 0.00 N ATOM 115 CA GLU A 9 12.212 -5.926 8.067 1.00 0.00 C ATOM 116 C GLU A 9 11.207 -6.678 8.947 1.00 0.00 C ATOM 117 O GLU A 9 10.457 -7.509 8.475 1.00 0.00 O ATOM 118 CB GLU A 9 13.571 -6.664 8.139 1.00 0.00 C ATOM 119 CG GLU A 9 13.369 -8.129 7.740 1.00 0.00 C ATOM 120 CD GLU A 9 14.729 -8.781 7.490 1.00 0.00 C ATOM 121 OE1 GLU A 9 15.575 -8.132 6.898 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.901 -9.919 7.893 1.00 0.00 O ATOM 0 H GLU A 9 13.271 -4.129 8.603 1.00 0.00 H new ATOM 0 HA GLU A 9 11.882 -5.906 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.292 -6.189 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.979 -6.602 9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.838 -8.662 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.753 -8.191 6.843 1.00 0.00 H new ATOM 129 N PHE A 10 11.199 -6.408 10.223 1.00 0.00 N ATOM 130 CA PHE A 10 10.256 -7.124 11.133 1.00 0.00 C ATOM 131 C PHE A 10 8.869 -6.474 11.089 1.00 0.00 C ATOM 132 O PHE A 10 7.889 -7.065 11.495 1.00 0.00 O ATOM 133 CB PHE A 10 10.800 -7.066 12.562 1.00 0.00 C ATOM 134 CG PHE A 10 9.808 -7.698 13.510 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.758 -9.090 13.643 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.939 -6.891 14.254 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.837 -9.676 14.521 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.020 -7.476 15.132 1.00 0.00 C ATOM 139 CZ PHE A 10 7.969 -8.869 15.266 1.00 0.00 C ATOM 0 H PHE A 10 11.804 -5.723 10.677 1.00 0.00 H new ATOM 0 HA PHE A 10 10.166 -8.160 10.807 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.755 -7.587 12.619 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.984 -6.031 12.850 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.429 -9.712 13.069 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.978 -5.817 14.150 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.797 -10.750 14.623 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.350 -6.853 15.706 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.260 -9.321 15.944 1.00 0.00 H new ATOM 149 N LEU A 11 8.772 -5.261 10.612 1.00 0.00 N ATOM 150 CA LEU A 11 7.439 -4.583 10.562 1.00 0.00 C ATOM 151 C LEU A 11 6.754 -4.855 9.220 1.00 0.00 C ATOM 152 O LEU A 11 5.550 -5.006 9.152 1.00 0.00 O ATOM 153 CB LEU A 11 7.628 -3.072 10.734 1.00 0.00 C ATOM 154 CG LEU A 11 8.278 -2.775 12.092 1.00 0.00 C ATOM 155 CD1 LEU A 11 8.610 -1.281 12.173 1.00 0.00 C ATOM 156 CD2 LEU A 11 7.319 -3.154 13.238 1.00 0.00 C ATOM 0 H LEU A 11 9.553 -4.711 10.256 1.00 0.00 H new ATOM 0 HA LEU A 11 6.815 -4.974 11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.252 -2.681 9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.665 -2.567 10.664 1.00 0.00 H new ATOM 0 HG LEU A 11 9.190 -3.364 12.190 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.072 -1.063 13.136 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.300 -1.018 11.371 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.694 -0.699 12.070 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.793 -2.938 14.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.400 -2.575 13.149 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.085 -4.217 13.180 1.00 0.00 H new ATOM 168 N VAL A 12 7.498 -4.905 8.147 1.00 0.00 N ATOM 169 CA VAL A 12 6.866 -5.151 6.821 1.00 0.00 C ATOM 170 C VAL A 12 6.554 -6.644 6.650 1.00 0.00 C ATOM 171 O VAL A 12 5.618 -7.005 5.974 1.00 0.00 O ATOM 172 CB VAL A 12 7.808 -4.679 5.713 1.00 0.00 C ATOM 173 CG1 VAL A 12 8.221 -3.230 5.980 1.00 0.00 C ATOM 174 CG2 VAL A 12 9.050 -5.569 5.671 1.00 0.00 C ATOM 0 H VAL A 12 8.511 -4.787 8.132 1.00 0.00 H new ATOM 0 HA VAL A 12 5.931 -4.594 6.760 1.00 0.00 H new ATOM 0 HB VAL A 12 7.295 -4.741 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.893 -2.892 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.334 -2.596 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.731 -3.168 6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.716 -5.227 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.568 -5.517 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.753 -6.599 5.475 1.00 0.00 H new ATOM 184 N LYS A 13 7.324 -7.504 7.263 1.00 0.00 N ATOM 185 CA LYS A 13 7.071 -8.979 7.155 1.00 0.00 C ATOM 186 C LYS A 13 5.995 -9.386 8.171 1.00 0.00 C ATOM 187 O LYS A 13 5.126 -10.185 7.881 1.00 0.00 O ATOM 188 CB LYS A 13 8.374 -9.723 7.447 1.00 0.00 C ATOM 189 CG LYS A 13 8.169 -11.268 7.387 1.00 0.00 C ATOM 190 CD LYS A 13 8.644 -11.932 8.690 1.00 0.00 C ATOM 191 CE LYS A 13 7.601 -11.714 9.790 1.00 0.00 C ATOM 192 NZ LYS A 13 8.012 -12.454 11.017 1.00 0.00 N ATOM 0 H LYS A 13 8.126 -7.249 7.840 1.00 0.00 H new ATOM 0 HA LYS A 13 6.724 -9.230 6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.135 -9.426 6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.743 -9.441 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.116 -11.494 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.720 -11.680 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.800 -12.999 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.602 -11.512 8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.504 -10.651 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.624 -12.060 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.304 -12.307 11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.083 -13.469 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.936 -12.103 11.341 1.00 0.00 H new ATOM 206 N GLU A 14 6.038 -8.838 9.357 1.00 0.00 N ATOM 207 CA GLU A 14 5.009 -9.192 10.378 1.00 0.00 C ATOM 208 C GLU A 14 3.660 -8.616 9.941 1.00 0.00 C ATOM 209 O GLU A 14 2.668 -9.306 9.843 1.00 0.00 O ATOM 210 CB GLU A 14 5.405 -8.603 11.732 1.00 0.00 C ATOM 211 CG GLU A 14 4.490 -9.164 12.822 1.00 0.00 C ATOM 212 CD GLU A 14 4.832 -10.634 13.069 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.969 -10.908 13.417 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.951 -11.463 12.906 1.00 0.00 O ATOM 0 H GLU A 14 6.739 -8.163 9.662 1.00 0.00 H new ATOM 0 HA GLU A 14 4.936 -10.276 10.469 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.444 -8.845 11.955 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.330 -7.516 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.610 -8.592 13.742 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.447 -9.068 12.521 1.00 0.00 H new ATOM 221 N VAL A 15 3.614 -7.352 9.655 1.00 0.00 N ATOM 222 CA VAL A 15 2.332 -6.749 9.204 1.00 0.00 C ATOM 223 C VAL A 15 1.778 -7.606 8.069 1.00 0.00 C ATOM 224 O VAL A 15 0.606 -7.893 8.024 1.00 0.00 O ATOM 225 CB VAL A 15 2.571 -5.307 8.737 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.326 -5.301 7.406 1.00 0.00 C ATOM 227 CG2 VAL A 15 1.226 -4.598 8.570 1.00 0.00 C ATOM 0 H VAL A 15 4.404 -6.709 9.713 1.00 0.00 H new ATOM 0 HA VAL A 15 1.612 -6.719 10.022 1.00 0.00 H new ATOM 0 HB VAL A 15 3.170 -4.785 9.483 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.490 -4.272 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.287 -5.799 7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.740 -5.827 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.394 -3.573 8.238 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.626 -5.126 7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.699 -4.589 9.524 1.00 0.00 H new ATOM 237 N THR A 16 2.623 -8.041 7.173 1.00 0.00 N ATOM 238 CA THR A 16 2.146 -8.904 6.058 1.00 0.00 C ATOM 239 C THR A 16 1.358 -10.085 6.641 1.00 0.00 C ATOM 240 O THR A 16 0.283 -10.405 6.188 1.00 0.00 O ATOM 241 CB THR A 16 3.364 -9.417 5.263 1.00 0.00 C ATOM 242 OG1 THR A 16 4.531 -9.003 5.927 1.00 0.00 O ATOM 243 CG2 THR A 16 3.349 -8.838 3.847 1.00 0.00 C ATOM 0 H THR A 16 3.622 -7.835 7.166 1.00 0.00 H new ATOM 0 HA THR A 16 1.497 -8.336 5.391 1.00 0.00 H new ATOM 0 HB THR A 16 3.330 -10.504 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.755 -8.089 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.213 -9.206 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.435 -9.145 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.388 -7.750 3.898 1.00 0.00 H new ATOM 251 N LYS A 17 1.893 -10.741 7.636 1.00 0.00 N ATOM 252 CA LYS A 17 1.170 -11.903 8.231 1.00 0.00 C ATOM 253 C LYS A 17 -0.287 -11.509 8.497 1.00 0.00 C ATOM 254 O LYS A 17 -1.196 -12.288 8.288 1.00 0.00 O ATOM 255 CB LYS A 17 1.852 -12.323 9.541 1.00 0.00 C ATOM 256 CG LYS A 17 3.083 -13.180 9.230 1.00 0.00 C ATOM 257 CD LYS A 17 3.730 -13.638 10.538 1.00 0.00 C ATOM 258 CE LYS A 17 4.723 -14.765 10.249 1.00 0.00 C ATOM 259 NZ LYS A 17 5.668 -14.332 9.181 1.00 0.00 N ATOM 0 H LYS A 17 2.795 -10.524 8.061 1.00 0.00 H new ATOM 0 HA LYS A 17 1.194 -12.744 7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.146 -11.440 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.154 -12.884 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.795 -14.045 8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.798 -12.607 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.241 -12.802 11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.965 -13.983 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.273 -15.021 11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.190 -15.663 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.615 -14.995 8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.412 -13.378 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.637 -14.321 9.558 1.00 0.00 H new ATOM 273 N LEU A 18 -0.523 -10.303 8.948 1.00 0.00 N ATOM 274 CA LEU A 18 -1.929 -9.864 9.214 1.00 0.00 C ATOM 275 C LEU A 18 -2.521 -9.264 7.925 1.00 0.00 C ATOM 276 O LEU A 18 -3.663 -9.489 7.592 1.00 0.00 O ATOM 277 CB LEU A 18 -1.913 -8.862 10.405 1.00 0.00 C ATOM 278 CG LEU A 18 -2.167 -7.410 9.959 1.00 0.00 C ATOM 279 CD1 LEU A 18 -3.653 -7.223 9.559 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.803 -6.473 11.119 1.00 0.00 C ATOM 0 H LEU A 18 0.194 -9.604 9.143 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.568 -10.701 9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.672 -9.154 11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.949 -8.920 10.911 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.552 -7.176 9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.819 -6.192 9.246 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.896 -7.896 8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.291 -7.450 10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.977 -5.439 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.421 -6.709 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.752 -6.604 11.377 1.00 0.00 H new ATOM 292 N ILE A 19 -1.747 -8.513 7.201 1.00 0.00 N ATOM 293 CA ILE A 19 -2.235 -7.904 5.936 1.00 0.00 C ATOM 294 C ILE A 19 -2.425 -9.024 4.905 1.00 0.00 C ATOM 295 O ILE A 19 -3.076 -8.849 3.894 1.00 0.00 O ATOM 296 CB ILE A 19 -1.149 -6.899 5.478 1.00 0.00 C ATOM 297 CG1 ILE A 19 -1.558 -5.458 5.804 1.00 0.00 C ATOM 298 CG2 ILE A 19 -0.850 -7.003 3.978 1.00 0.00 C ATOM 299 CD1 ILE A 19 -0.343 -4.524 5.656 1.00 0.00 C ATOM 0 H ILE A 19 -0.780 -8.291 7.436 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.187 -7.388 6.059 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.245 -7.160 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.358 -5.138 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.949 -5.402 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.082 -6.277 3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.497 -8.008 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.758 -6.798 3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.640 -3.501 5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.444 -4.839 6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.029 -4.570 4.632 1.00 0.00 H new ATOM 311 N ASP A 20 -1.831 -10.160 5.153 1.00 0.00 N ATOM 312 CA ASP A 20 -1.931 -11.299 4.197 1.00 0.00 C ATOM 313 C ASP A 20 -3.362 -11.415 3.658 1.00 0.00 C ATOM 314 O ASP A 20 -3.584 -11.413 2.464 1.00 0.00 O ATOM 315 CB ASP A 20 -1.553 -12.597 4.914 1.00 0.00 C ATOM 316 CG ASP A 20 -1.576 -13.756 3.915 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.020 -13.597 2.841 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.148 -14.782 4.243 1.00 0.00 O ATOM 0 H ASP A 20 -1.275 -10.349 5.987 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.251 -11.124 3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.562 -12.505 5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.250 -12.791 5.729 1.00 0.00 H new ATOM 323 N ASN A 21 -4.338 -11.514 4.528 1.00 0.00 N ATOM 324 CA ASN A 21 -5.749 -11.628 4.053 1.00 0.00 C ATOM 325 C ASN A 21 -6.719 -11.192 5.149 1.00 0.00 C ATOM 326 O ASN A 21 -7.504 -11.978 5.640 1.00 0.00 O ATOM 327 CB ASN A 21 -6.049 -13.078 3.674 1.00 0.00 C ATOM 328 CG ASN A 21 -5.154 -13.504 2.509 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.063 -13.999 2.715 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.571 -13.332 1.284 1.00 0.00 N ATOM 0 H ASN A 21 -4.218 -11.521 5.541 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.874 -10.981 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.881 -13.730 4.531 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.098 -13.181 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.982 -13.613 0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.486 -12.917 1.110 1.00 0.00 H new ATOM 337 N ASN A 22 -6.680 -9.939 5.520 1.00 0.00 N ATOM 338 CA ASN A 22 -7.609 -9.419 6.571 1.00 0.00 C ATOM 339 C ASN A 22 -8.533 -8.392 5.928 1.00 0.00 C ATOM 340 O ASN A 22 -9.740 -8.540 5.926 1.00 0.00 O ATOM 341 CB ASN A 22 -6.798 -8.767 7.690 1.00 0.00 C ATOM 342 CG ASN A 22 -6.090 -9.863 8.487 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.989 -9.787 9.695 1.00 0.00 O ATOM 344 ND2 ASN A 22 -5.590 -10.891 7.851 1.00 0.00 N ATOM 0 H ASN A 22 -6.038 -9.245 5.136 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.198 -10.232 6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.069 -8.073 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.452 -8.188 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.115 -11.630 8.370 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.675 -10.954 6.837 1.00 0.00 H new ATOM 351 N LYS A 23 -7.974 -7.362 5.355 1.00 0.00 N ATOM 352 CA LYS A 23 -8.810 -6.330 4.675 1.00 0.00 C ATOM 353 C LYS A 23 -8.875 -6.670 3.180 1.00 0.00 C ATOM 354 O LYS A 23 -7.895 -6.618 2.468 1.00 0.00 O ATOM 355 CB LYS A 23 -8.209 -4.933 4.922 1.00 0.00 C ATOM 356 CG LYS A 23 -6.877 -4.748 4.154 1.00 0.00 C ATOM 357 CD LYS A 23 -7.132 -4.024 2.818 1.00 0.00 C ATOM 358 CE LYS A 23 -6.031 -4.377 1.813 1.00 0.00 C ATOM 359 NZ LYS A 23 -4.699 -4.249 2.470 1.00 0.00 N ATOM 0 H LYS A 23 -6.969 -7.189 5.328 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.824 -6.323 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.920 -4.169 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.038 -4.792 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.176 -4.174 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.417 -5.719 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.105 -4.311 2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.158 -2.946 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.171 -5.394 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.087 -3.715 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.961 -4.151 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.694 -3.409 3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.511 -5.097 3.042 1.00 0.00 H new ATOM 373 N THR A 24 -10.026 -7.061 2.709 1.00 0.00 N ATOM 374 CA THR A 24 -10.160 -7.439 1.274 1.00 0.00 C ATOM 375 C THR A 24 -10.297 -6.187 0.411 1.00 0.00 C ATOM 376 O THR A 24 -10.095 -5.081 0.867 1.00 0.00 O ATOM 377 CB THR A 24 -11.396 -8.318 1.094 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.550 -7.603 1.516 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.240 -9.583 1.934 1.00 0.00 C ATOM 0 H THR A 24 -10.883 -7.135 3.258 1.00 0.00 H new ATOM 0 HA THR A 24 -9.270 -7.987 0.966 1.00 0.00 H new ATOM 0 HB THR A 24 -11.504 -8.590 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.072 -8.159 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.120 -10.214 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.354 -10.128 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.135 -9.312 2.984 1.00 0.00 H new ATOM 387 N GLU A 25 -10.633 -6.357 -0.843 1.00 0.00 N ATOM 388 CA GLU A 25 -10.777 -5.176 -1.753 1.00 0.00 C ATOM 389 C GLU A 25 -12.233 -4.709 -1.794 1.00 0.00 C ATOM 390 O GLU A 25 -12.531 -3.638 -2.282 1.00 0.00 O ATOM 391 CB GLU A 25 -10.329 -5.543 -3.171 1.00 0.00 C ATOM 392 CG GLU A 25 -11.318 -6.534 -3.799 1.00 0.00 C ATOM 393 CD GLU A 25 -10.698 -7.142 -5.059 1.00 0.00 C ATOM 394 OE1 GLU A 25 -10.424 -6.392 -5.981 1.00 0.00 O ATOM 395 OE2 GLU A 25 -10.508 -8.347 -5.078 1.00 0.00 O ATOM 0 H GLU A 25 -10.814 -7.262 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.150 -4.371 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.265 -4.644 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.332 -5.982 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.564 -7.321 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.250 -6.026 -4.048 1.00 0.00 H new ATOM 402 N LYS A 26 -13.142 -5.485 -1.275 1.00 0.00 N ATOM 403 CA LYS A 26 -14.559 -5.051 -1.282 1.00 0.00 C ATOM 404 C LYS A 26 -14.684 -3.935 -0.262 1.00 0.00 C ATOM 405 O LYS A 26 -15.439 -2.994 -0.424 1.00 0.00 O ATOM 406 CB LYS A 26 -15.460 -6.226 -0.885 1.00 0.00 C ATOM 407 CG LYS A 26 -15.313 -7.364 -1.911 1.00 0.00 C ATOM 408 CD LYS A 26 -15.730 -8.708 -1.282 1.00 0.00 C ATOM 409 CE LYS A 26 -14.544 -9.336 -0.539 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.941 -10.674 -0.015 1.00 0.00 N ATOM 0 H LYS A 26 -12.964 -6.395 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.861 -4.709 -2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -15.191 -6.583 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.499 -5.900 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.930 -7.157 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.281 -7.421 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.560 -8.553 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.083 -9.387 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.691 -9.435 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.231 -8.690 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.138 -11.102 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.743 -10.567 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.219 -11.288 -0.807 1.00 0.00 H new ATOM 424 N GLU A 27 -13.916 -4.033 0.782 1.00 0.00 N ATOM 425 CA GLU A 27 -13.940 -2.988 1.828 1.00 0.00 C ATOM 426 C GLU A 27 -13.212 -1.752 1.298 1.00 0.00 C ATOM 427 O GLU A 27 -13.393 -0.652 1.783 1.00 0.00 O ATOM 428 CB GLU A 27 -13.233 -3.517 3.079 1.00 0.00 C ATOM 429 CG GLU A 27 -13.458 -2.561 4.249 1.00 0.00 C ATOM 430 CD GLU A 27 -14.932 -2.587 4.659 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.306 -3.482 5.398 1.00 0.00 O ATOM 432 OE2 GLU A 27 -15.662 -1.711 4.227 1.00 0.00 O ATOM 0 H GLU A 27 -13.267 -4.801 0.954 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.967 -2.726 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.612 -4.508 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.166 -3.624 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.831 -2.849 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.167 -1.549 3.966 1.00 0.00 H new ATOM 439 N ILE A 28 -12.384 -1.932 0.300 1.00 0.00 N ATOM 440 CA ILE A 28 -11.631 -0.788 -0.277 1.00 0.00 C ATOM 441 C ILE A 28 -12.470 -0.108 -1.366 1.00 0.00 C ATOM 442 O ILE A 28 -12.970 0.981 -1.170 1.00 0.00 O ATOM 443 CB ILE A 28 -10.339 -1.316 -0.897 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.421 -1.906 0.187 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.626 -0.185 -1.630 1.00 0.00 C ATOM 446 CD1 ILE A 28 -9.105 -0.874 1.275 1.00 0.00 C ATOM 0 H ILE A 28 -12.199 -2.833 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.407 -0.064 0.507 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.585 -2.107 -1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.899 -2.776 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.493 -2.252 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.704 -0.562 -2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.273 0.204 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.391 0.613 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.454 -1.324 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.604 -0.016 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.032 -0.548 1.747 1.00 0.00 H new ATOM 458 N LEU A 29 -12.616 -0.735 -2.519 1.00 0.00 N ATOM 459 CA LEU A 29 -13.416 -0.114 -3.619 1.00 0.00 C ATOM 460 C LEU A 29 -14.677 0.519 -3.028 1.00 0.00 C ATOM 461 O LEU A 29 -15.178 1.508 -3.524 1.00 0.00 O ATOM 462 CB LEU A 29 -13.796 -1.192 -4.659 1.00 0.00 C ATOM 463 CG LEU A 29 -12.704 -1.312 -5.735 1.00 0.00 C ATOM 464 CD1 LEU A 29 -11.458 -1.980 -5.156 1.00 0.00 C ATOM 465 CD2 LEU A 29 -13.229 -2.149 -6.905 1.00 0.00 C ATOM 0 H LEU A 29 -12.214 -1.647 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.826 0.657 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.932 -2.153 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.748 -0.936 -5.125 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.442 -0.313 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.694 -2.058 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.076 -1.383 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.713 -2.977 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.455 -2.234 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.498 -3.143 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.108 -1.666 -7.332 1.00 0.00 H new ATOM 477 N ASP A 30 -15.171 -0.022 -1.951 1.00 0.00 N ATOM 478 CA ASP A 30 -16.369 0.587 -1.319 1.00 0.00 C ATOM 479 C ASP A 30 -15.932 1.917 -0.710 1.00 0.00 C ATOM 480 O ASP A 30 -16.480 2.969 -0.995 1.00 0.00 O ATOM 481 CB ASP A 30 -16.905 -0.336 -0.222 1.00 0.00 C ATOM 482 CG ASP A 30 -18.146 0.294 0.414 1.00 0.00 C ATOM 483 OD1 ASP A 30 -18.786 1.093 -0.251 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.434 -0.033 1.553 1.00 0.00 O ATOM 0 H ASP A 30 -14.801 -0.851 -1.486 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.160 0.738 -2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.153 -1.311 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.139 -0.501 0.536 1.00 0.00 H new ATOM 489 N ALA A 31 -14.917 1.878 0.111 1.00 0.00 N ATOM 490 CA ALA A 31 -14.402 3.128 0.729 1.00 0.00 C ATOM 491 C ALA A 31 -14.260 4.195 -0.351 1.00 0.00 C ATOM 492 O ALA A 31 -14.709 5.309 -0.194 1.00 0.00 O ATOM 493 CB ALA A 31 -13.044 2.852 1.365 1.00 0.00 C ATOM 0 H ALA A 31 -14.422 1.028 0.380 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.093 3.477 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.663 3.766 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.150 2.083 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.347 2.509 0.600 1.00 0.00 H new ATOM 499 N PHE A 32 -13.646 3.861 -1.455 1.00 0.00 N ATOM 500 CA PHE A 32 -13.494 4.864 -2.543 1.00 0.00 C ATOM 501 C PHE A 32 -14.872 5.445 -2.862 1.00 0.00 C ATOM 502 O PHE A 32 -15.009 6.613 -3.167 1.00 0.00 O ATOM 503 CB PHE A 32 -12.900 4.190 -3.792 1.00 0.00 C ATOM 504 CG PHE A 32 -11.391 4.132 -3.678 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.624 5.253 -4.022 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.761 2.963 -3.233 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.229 5.204 -3.923 1.00 0.00 C ATOM 508 CE2 PHE A 32 -9.364 2.916 -3.134 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.600 4.036 -3.479 1.00 0.00 C ATOM 0 H PHE A 32 -13.246 2.943 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.821 5.662 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.304 3.183 -3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.185 4.745 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.110 6.155 -4.364 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.351 2.099 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.638 6.068 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.877 2.015 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.523 3.999 -3.402 1.00 0.00 H new ATOM 519 N ASP A 33 -15.898 4.646 -2.775 1.00 0.00 N ATOM 520 CA ASP A 33 -17.260 5.170 -3.053 1.00 0.00 C ATOM 521 C ASP A 33 -17.646 6.115 -1.919 1.00 0.00 C ATOM 522 O ASP A 33 -18.658 6.784 -1.968 1.00 0.00 O ATOM 523 CB ASP A 33 -18.256 4.009 -3.124 1.00 0.00 C ATOM 524 CG ASP A 33 -19.571 4.501 -3.732 1.00 0.00 C ATOM 525 OD1 ASP A 33 -19.737 5.704 -3.844 1.00 0.00 O ATOM 526 OD2 ASP A 33 -20.391 3.664 -4.073 1.00 0.00 O ATOM 0 H ASP A 33 -15.852 3.658 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.274 5.700 -4.006 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.845 3.199 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.432 3.606 -2.127 1.00 0.00 H new ATOM 531 N LYS A 34 -16.837 6.158 -0.887 1.00 0.00 N ATOM 532 CA LYS A 34 -17.124 7.050 0.286 1.00 0.00 C ATOM 533 C LYS A 34 -16.161 8.247 0.300 1.00 0.00 C ATOM 534 O LYS A 34 -16.575 9.385 0.193 1.00 0.00 O ATOM 535 CB LYS A 34 -16.936 6.256 1.581 1.00 0.00 C ATOM 536 CG LYS A 34 -17.719 4.940 1.503 1.00 0.00 C ATOM 537 CD LYS A 34 -17.468 4.103 2.778 1.00 0.00 C ATOM 538 CE LYS A 34 -17.603 2.604 2.477 1.00 0.00 C ATOM 539 NZ LYS A 34 -19.040 2.262 2.278 1.00 0.00 N ATOM 0 H LYS A 34 -15.982 5.609 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.148 7.413 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.878 6.051 1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.280 6.844 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.784 5.146 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.414 4.377 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.471 4.313 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.179 4.389 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.031 2.349 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.190 2.019 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.147 1.229 2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.598 2.628 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.379 2.690 1.393 1.00 0.00 H new ATOM 553 N MET A 35 -14.884 8.010 0.452 1.00 0.00 N ATOM 554 CA MET A 35 -13.917 9.151 0.492 1.00 0.00 C ATOM 555 C MET A 35 -13.842 9.780 -0.897 1.00 0.00 C ATOM 556 O MET A 35 -13.914 10.979 -1.056 1.00 0.00 O ATOM 557 CB MET A 35 -12.501 8.685 0.895 1.00 0.00 C ATOM 558 CG MET A 35 -12.544 7.610 1.998 1.00 0.00 C ATOM 559 SD MET A 35 -11.072 6.559 1.857 1.00 0.00 S ATOM 560 CE MET A 35 -11.475 5.793 0.262 1.00 0.00 C ATOM 0 H MET A 35 -14.469 7.083 0.550 1.00 0.00 H new ATOM 0 HA MET A 35 -14.268 9.868 1.234 1.00 0.00 H new ATOM 0 HB2 MET A 35 -11.987 8.288 0.020 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.922 9.540 1.244 1.00 0.00 H new ATOM 0 HG2 MET A 35 -12.578 8.080 2.981 1.00 0.00 H new ATOM 0 HG3 MET A 35 -13.447 7.008 1.901 1.00 0.00 H new ATOM 0 HE1 MET A 35 -11.408 4.709 0.352 1.00 0.00 H new ATOM 0 HE2 MET A 35 -12.488 6.071 -0.030 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.771 6.138 -0.496 1.00 0.00 H new ATOM 570 N CYS A 36 -13.694 8.970 -1.904 1.00 0.00 N ATOM 571 CA CYS A 36 -13.613 9.512 -3.284 1.00 0.00 C ATOM 572 C CYS A 36 -15.019 9.966 -3.702 1.00 0.00 C ATOM 573 O CYS A 36 -15.279 10.248 -4.854 1.00 0.00 O ATOM 574 CB CYS A 36 -13.066 8.408 -4.219 1.00 0.00 C ATOM 575 SG CYS A 36 -11.489 8.935 -4.945 1.00 0.00 S ATOM 0 H CYS A 36 -13.626 7.955 -1.831 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.940 10.367 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.927 7.482 -3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.787 8.198 -5.009 1.00 0.00 H new ATOM 580 N SER A 37 -15.918 10.046 -2.755 1.00 0.00 N ATOM 581 CA SER A 37 -17.307 10.490 -3.062 1.00 0.00 C ATOM 582 C SER A 37 -17.360 12.018 -3.025 1.00 0.00 C ATOM 583 O SER A 37 -17.710 12.666 -3.991 1.00 0.00 O ATOM 584 CB SER A 37 -18.264 9.928 -2.009 1.00 0.00 C ATOM 585 OG SER A 37 -18.324 10.821 -0.904 1.00 0.00 O ATOM 0 H SER A 37 -15.746 9.821 -1.775 1.00 0.00 H new ATOM 0 HA SER A 37 -17.599 10.131 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.257 9.795 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.925 8.946 -1.680 1.00 0.00 H new ATOM 0 HG SER A 37 -17.877 10.416 -0.132 1.00 0.00 H new ATOM 591 N LYS A 38 -17.011 12.597 -1.906 1.00 0.00 N ATOM 592 CA LYS A 38 -17.034 14.082 -1.787 1.00 0.00 C ATOM 593 C LYS A 38 -16.127 14.694 -2.855 1.00 0.00 C ATOM 594 O LYS A 38 -16.311 15.824 -3.261 1.00 0.00 O ATOM 595 CB LYS A 38 -16.534 14.489 -0.395 1.00 0.00 C ATOM 596 CG LYS A 38 -15.127 13.924 -0.167 1.00 0.00 C ATOM 597 CD LYS A 38 -14.787 13.962 1.325 1.00 0.00 C ATOM 598 CE LYS A 38 -13.303 13.643 1.516 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.963 13.703 2.966 1.00 0.00 N ATOM 0 H LYS A 38 -16.710 12.102 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.053 14.443 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.519 15.575 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.215 14.116 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.073 12.900 -0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.397 14.505 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.015 14.945 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.398 13.240 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.079 12.652 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.693 14.354 0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.954 13.486 3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.161 14.657 3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.536 13.008 3.486 1.00 0.00 H new ATOM 613 N LEU A 39 -15.142 13.959 -3.306 1.00 0.00 N ATOM 614 CA LEU A 39 -14.211 14.502 -4.349 1.00 0.00 C ATOM 615 C LEU A 39 -15.046 15.204 -5.450 1.00 0.00 C ATOM 616 O LEU A 39 -16.097 14.707 -5.803 1.00 0.00 O ATOM 617 CB LEU A 39 -13.410 13.320 -4.993 1.00 0.00 C ATOM 618 CG LEU A 39 -11.861 13.515 -4.880 1.00 0.00 C ATOM 619 CD1 LEU A 39 -11.270 12.520 -3.872 1.00 0.00 C ATOM 620 CD2 LEU A 39 -11.206 13.283 -6.251 1.00 0.00 C ATOM 0 H LEU A 39 -14.940 13.007 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.519 15.211 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.692 12.386 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.686 13.228 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.665 14.532 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.192 12.668 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.721 12.683 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.477 11.502 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.128 13.420 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.418 12.268 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.607 13.996 -6.971 1.00 0.00 H new ATOM 632 N PRO A 40 -14.563 16.306 -6.001 1.00 0.00 N ATOM 633 CA PRO A 40 -15.298 16.979 -7.081 1.00 0.00 C ATOM 634 C PRO A 40 -15.627 15.946 -8.167 1.00 0.00 C ATOM 635 O PRO A 40 -14.771 15.197 -8.595 1.00 0.00 O ATOM 636 CB PRO A 40 -14.333 18.070 -7.599 1.00 0.00 C ATOM 637 CG PRO A 40 -13.123 18.121 -6.622 1.00 0.00 C ATOM 638 CD PRO A 40 -13.295 16.963 -5.615 1.00 0.00 C ATOM 0 HA PRO A 40 -16.242 17.420 -6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -14.000 17.839 -8.611 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.834 19.037 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.185 18.020 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -13.088 19.079 -6.103 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.458 16.267 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.338 17.334 -4.591 1.00 0.00 H new ATOM 646 N LYS A 41 -16.860 15.894 -8.595 1.00 0.00 N ATOM 647 CA LYS A 41 -17.272 14.908 -9.638 1.00 0.00 C ATOM 648 C LYS A 41 -16.185 14.742 -10.699 1.00 0.00 C ATOM 649 O LYS A 41 -15.895 13.652 -11.148 1.00 0.00 O ATOM 650 CB LYS A 41 -18.541 15.417 -10.307 1.00 0.00 C ATOM 651 CG LYS A 41 -19.071 14.364 -11.275 1.00 0.00 C ATOM 652 CD LYS A 41 -20.427 14.831 -11.840 1.00 0.00 C ATOM 653 CE LYS A 41 -20.608 14.293 -13.259 1.00 0.00 C ATOM 654 NZ LYS A 41 -21.959 14.664 -13.768 1.00 0.00 N ATOM 0 H LYS A 41 -17.609 16.501 -8.262 1.00 0.00 H new ATOM 0 HA LYS A 41 -17.440 13.941 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -19.295 15.644 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.335 16.345 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -18.360 14.208 -12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.186 13.408 -10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.238 14.480 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.474 15.920 -11.845 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.838 14.700 -13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -20.491 13.209 -13.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -22.079 14.297 -14.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.688 14.255 -13.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -22.054 15.700 -13.777 1.00 0.00 H new ATOM 668 N SER A 42 -15.597 15.821 -11.106 1.00 0.00 N ATOM 669 CA SER A 42 -14.534 15.752 -12.146 1.00 0.00 C ATOM 670 C SER A 42 -13.399 14.841 -11.681 1.00 0.00 C ATOM 671 O SER A 42 -13.091 13.837 -12.294 1.00 0.00 O ATOM 672 CB SER A 42 -13.973 17.156 -12.366 1.00 0.00 C ATOM 673 OG SER A 42 -13.257 17.191 -13.594 1.00 0.00 O ATOM 0 H SER A 42 -15.805 16.759 -10.763 1.00 0.00 H new ATOM 0 HA SER A 42 -14.959 15.356 -13.068 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.783 17.885 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.316 17.430 -11.541 1.00 0.00 H new ATOM 0 HG SER A 42 -12.898 18.091 -13.738 1.00 0.00 H new ATOM 679 N LEU A 43 -12.767 15.204 -10.606 1.00 0.00 N ATOM 680 CA LEU A 43 -11.636 14.394 -10.095 1.00 0.00 C ATOM 681 C LEU A 43 -12.164 13.164 -9.356 1.00 0.00 C ATOM 682 O LEU A 43 -11.402 12.332 -8.913 1.00 0.00 O ATOM 683 CB LEU A 43 -10.803 15.255 -9.144 1.00 0.00 C ATOM 684 CG LEU A 43 -10.033 16.324 -9.936 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.541 17.411 -8.973 1.00 0.00 C ATOM 686 CD2 LEU A 43 -8.825 15.700 -10.662 1.00 0.00 C ATOM 0 H LEU A 43 -12.988 16.034 -10.056 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.018 14.060 -10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.452 15.732 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.104 14.628 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.701 16.757 -10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.994 18.171 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.395 17.870 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.883 16.965 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.294 16.474 -11.216 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.153 15.252 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.173 14.932 -11.353 1.00 0.00 H new ATOM 698 N SER A 44 -13.459 13.018 -9.237 1.00 0.00 N ATOM 699 CA SER A 44 -14.008 11.821 -8.547 1.00 0.00 C ATOM 700 C SER A 44 -14.124 10.736 -9.596 1.00 0.00 C ATOM 701 O SER A 44 -14.000 9.557 -9.322 1.00 0.00 O ATOM 702 CB SER A 44 -15.393 12.129 -7.973 1.00 0.00 C ATOM 703 OG SER A 44 -16.377 11.905 -8.974 1.00 0.00 O ATOM 0 H SER A 44 -14.155 13.676 -9.588 1.00 0.00 H new ATOM 0 HA SER A 44 -13.363 11.516 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.589 11.497 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.435 13.163 -7.630 1.00 0.00 H new ATOM 0 HG SER A 44 -16.154 12.425 -9.774 1.00 0.00 H new ATOM 709 N GLU A 45 -14.341 11.144 -10.813 1.00 0.00 N ATOM 710 CA GLU A 45 -14.447 10.168 -11.910 1.00 0.00 C ATOM 711 C GLU A 45 -13.038 9.718 -12.275 1.00 0.00 C ATOM 712 O GLU A 45 -12.814 8.602 -12.699 1.00 0.00 O ATOM 713 CB GLU A 45 -15.116 10.825 -13.120 1.00 0.00 C ATOM 714 CG GLU A 45 -16.600 11.051 -12.823 1.00 0.00 C ATOM 715 CD GLU A 45 -17.218 11.908 -13.929 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.507 12.728 -14.483 1.00 0.00 O ATOM 717 OE2 GLU A 45 -18.394 11.728 -14.203 1.00 0.00 O ATOM 0 H GLU A 45 -14.449 12.120 -11.089 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.048 9.312 -11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.631 11.775 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.003 10.192 -14.000 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.118 10.094 -12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.718 11.544 -11.858 1.00 0.00 H new ATOM 724 N GLU A 46 -12.083 10.591 -12.106 1.00 0.00 N ATOM 725 CA GLU A 46 -10.677 10.236 -12.436 1.00 0.00 C ATOM 726 C GLU A 46 -10.053 9.442 -11.283 1.00 0.00 C ATOM 727 O GLU A 46 -9.149 8.656 -11.484 1.00 0.00 O ATOM 728 CB GLU A 46 -9.871 11.516 -12.668 1.00 0.00 C ATOM 729 CG GLU A 46 -10.418 12.246 -13.895 1.00 0.00 C ATOM 730 CD GLU A 46 -9.535 13.457 -14.206 1.00 0.00 C ATOM 731 OE1 GLU A 46 -8.351 13.261 -14.426 1.00 0.00 O ATOM 732 OE2 GLU A 46 -10.057 14.559 -14.219 1.00 0.00 O ATOM 0 H GLU A 46 -12.218 11.538 -11.752 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.664 9.625 -13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.931 12.161 -11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.818 11.274 -12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.443 11.572 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.443 12.568 -13.713 1.00 0.00 H new ATOM 739 N CYS A 47 -10.518 9.638 -10.074 1.00 0.00 N ATOM 740 CA CYS A 47 -9.927 8.883 -8.928 1.00 0.00 C ATOM 741 C CYS A 47 -10.480 7.454 -8.916 1.00 0.00 C ATOM 742 O CYS A 47 -9.860 6.542 -8.409 1.00 0.00 O ATOM 743 CB CYS A 47 -10.240 9.599 -7.602 1.00 0.00 C ATOM 744 SG CYS A 47 -11.844 9.076 -6.931 1.00 0.00 S ATOM 0 H CYS A 47 -11.273 10.281 -9.833 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.844 8.840 -9.044 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.454 9.387 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.244 10.677 -7.761 1.00 0.00 H new ATOM 749 N GLN A 48 -11.633 7.247 -9.497 1.00 0.00 N ATOM 750 CA GLN A 48 -12.215 5.881 -9.542 1.00 0.00 C ATOM 751 C GLN A 48 -11.648 5.190 -10.771 1.00 0.00 C ATOM 752 O GLN A 48 -11.606 3.980 -10.860 1.00 0.00 O ATOM 753 CB GLN A 48 -13.746 5.979 -9.649 1.00 0.00 C ATOM 754 CG GLN A 48 -14.361 6.143 -8.253 1.00 0.00 C ATOM 755 CD GLN A 48 -14.440 4.780 -7.560 1.00 0.00 C ATOM 756 OE1 GLN A 48 -15.490 4.170 -7.515 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.368 4.274 -7.015 1.00 0.00 N ATOM 0 H GLN A 48 -12.196 7.971 -9.943 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.970 5.319 -8.641 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.021 6.825 -10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.143 5.084 -10.127 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.759 6.830 -7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.357 6.579 -8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.487 4.786 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -13.411 3.367 -6.551 1.00 0.00 H new ATOM 766 N GLU A 49 -11.204 5.964 -11.719 1.00 0.00 N ATOM 767 CA GLU A 49 -10.628 5.364 -12.941 1.00 0.00 C ATOM 768 C GLU A 49 -9.299 4.695 -12.578 1.00 0.00 C ATOM 769 O GLU A 49 -9.046 3.556 -12.926 1.00 0.00 O ATOM 770 CB GLU A 49 -10.400 6.458 -13.998 1.00 0.00 C ATOM 771 CG GLU A 49 -11.699 6.717 -14.773 1.00 0.00 C ATOM 772 CD GLU A 49 -11.915 5.606 -15.803 1.00 0.00 C ATOM 773 OE1 GLU A 49 -11.303 5.673 -16.855 1.00 0.00 O ATOM 774 OE2 GLU A 49 -12.691 4.706 -15.521 1.00 0.00 O ATOM 0 H GLU A 49 -11.217 6.984 -11.696 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.312 4.621 -13.352 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.065 7.377 -13.516 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.611 6.152 -14.685 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.543 6.757 -14.084 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.649 7.685 -15.272 1.00 0.00 H new ATOM 781 N VAL A 50 -8.448 5.392 -11.874 1.00 0.00 N ATOM 782 CA VAL A 50 -7.146 4.788 -11.491 1.00 0.00 C ATOM 783 C VAL A 50 -7.388 3.600 -10.561 1.00 0.00 C ATOM 784 O VAL A 50 -6.751 2.582 -10.687 1.00 0.00 O ATOM 785 CB VAL A 50 -6.269 5.812 -10.785 1.00 0.00 C ATOM 786 CG1 VAL A 50 -4.903 5.179 -10.520 1.00 0.00 C ATOM 787 CG2 VAL A 50 -6.098 7.041 -11.679 1.00 0.00 C ATOM 0 H VAL A 50 -8.599 6.347 -11.551 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.637 4.453 -12.395 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.730 6.116 -9.845 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.260 5.899 -10.014 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.026 4.298 -9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.447 4.888 -11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.470 7.774 -11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.628 6.746 -12.617 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.074 7.480 -11.885 1.00 0.00 H new ATOM 797 N VAL A 51 -8.312 3.709 -9.636 1.00 0.00 N ATOM 798 CA VAL A 51 -8.593 2.556 -8.718 1.00 0.00 C ATOM 799 C VAL A 51 -8.715 1.289 -9.564 1.00 0.00 C ATOM 800 O VAL A 51 -8.083 0.288 -9.292 1.00 0.00 O ATOM 801 CB VAL A 51 -9.904 2.826 -7.965 1.00 0.00 C ATOM 802 CG1 VAL A 51 -10.373 1.556 -7.246 1.00 0.00 C ATOM 803 CG2 VAL A 51 -9.687 3.950 -6.935 1.00 0.00 C ATOM 0 H VAL A 51 -8.881 4.540 -9.476 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.790 2.432 -7.991 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.667 3.130 -8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.303 1.760 -6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.538 0.764 -7.977 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.612 1.239 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.619 4.140 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.917 3.649 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.371 4.858 -7.449 1.00 0.00 H new ATOM 813 N ASP A 52 -9.491 1.333 -10.613 1.00 0.00 N ATOM 814 CA ASP A 52 -9.602 0.137 -11.488 1.00 0.00 C ATOM 815 C ASP A 52 -8.184 -0.250 -11.908 1.00 0.00 C ATOM 816 O ASP A 52 -7.855 -1.410 -12.051 1.00 0.00 O ATOM 817 CB ASP A 52 -10.436 0.473 -12.726 1.00 0.00 C ATOM 818 CG ASP A 52 -11.886 0.727 -12.311 1.00 0.00 C ATOM 819 OD1 ASP A 52 -12.625 -0.237 -12.193 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.234 1.880 -12.118 1.00 0.00 O ATOM 0 H ASP A 52 -10.047 2.139 -10.898 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.089 -0.684 -10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.029 1.354 -13.223 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.390 -0.347 -13.442 1.00 0.00 H new ATOM 825 N THR A 53 -7.334 0.734 -12.079 1.00 0.00 N ATOM 826 CA THR A 53 -5.921 0.456 -12.460 1.00 0.00 C ATOM 827 C THR A 53 -5.098 0.182 -11.195 1.00 0.00 C ATOM 828 O THR A 53 -4.062 -0.452 -11.243 1.00 0.00 O ATOM 829 CB THR A 53 -5.358 1.635 -13.262 1.00 0.00 C ATOM 830 OG1 THR A 53 -6.120 1.788 -14.451 1.00 0.00 O ATOM 831 CG2 THR A 53 -3.896 1.368 -13.635 1.00 0.00 C ATOM 0 H THR A 53 -7.564 1.722 -11.969 1.00 0.00 H new ATOM 0 HA THR A 53 -5.870 -0.429 -13.095 1.00 0.00 H new ATOM 0 HB THR A 53 -5.413 2.541 -12.658 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.768 2.541 -14.970 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.506 2.212 -14.204 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.307 1.239 -12.727 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.834 0.463 -14.239 1.00 0.00 H new ATOM 839 N TYR A 54 -5.562 0.647 -10.060 1.00 0.00 N ATOM 840 CA TYR A 54 -4.834 0.421 -8.771 1.00 0.00 C ATOM 841 C TYR A 54 -5.819 -0.117 -7.737 1.00 0.00 C ATOM 842 O TYR A 54 -6.302 0.609 -6.890 1.00 0.00 O ATOM 843 CB TYR A 54 -4.256 1.732 -8.246 1.00 0.00 C ATOM 844 CG TYR A 54 -3.095 2.153 -9.106 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.334 2.564 -10.409 1.00 0.00 C ATOM 846 CD2 TYR A 54 -1.795 2.163 -8.596 1.00 0.00 C ATOM 847 CE1 TYR A 54 -2.287 2.994 -11.220 1.00 0.00 C ATOM 848 CE2 TYR A 54 -0.732 2.584 -9.404 1.00 0.00 C ATOM 849 CZ TYR A 54 -0.979 3.003 -10.720 1.00 0.00 C ATOM 850 OH TYR A 54 0.065 3.427 -11.519 1.00 0.00 O ATOM 0 H TYR A 54 -6.426 1.181 -9.971 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.023 -0.287 -8.944 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.023 2.506 -8.249 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.931 1.610 -7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.341 2.550 -10.798 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.610 1.847 -7.580 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.483 3.319 -12.231 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.276 2.586 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 54 0.905 3.371 -11.017 1.00 0.00 H new ATOM 860 N GLY A 55 -6.126 -1.377 -7.802 1.00 0.00 N ATOM 861 CA GLY A 55 -7.081 -1.975 -6.824 1.00 0.00 C ATOM 862 C GLY A 55 -6.665 -3.415 -6.507 1.00 0.00 C ATOM 863 O GLY A 55 -5.897 -3.670 -5.616 1.00 0.00 O ATOM 0 H GLY A 55 -5.756 -2.028 -8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.098 -1.382 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.091 -1.960 -7.233 1.00 0.00 H new ATOM 867 N SER A 56 -7.167 -4.371 -7.213 1.00 0.00 N ATOM 868 CA SER A 56 -6.779 -5.771 -6.896 1.00 0.00 C ATOM 869 C SER A 56 -5.248 -5.894 -6.824 1.00 0.00 C ATOM 870 O SER A 56 -4.721 -6.823 -6.242 1.00 0.00 O ATOM 871 CB SER A 56 -7.322 -6.706 -7.976 1.00 0.00 C ATOM 872 OG SER A 56 -7.174 -6.089 -9.247 1.00 0.00 O ATOM 0 H SER A 56 -7.821 -4.255 -7.987 1.00 0.00 H new ATOM 0 HA SER A 56 -7.199 -6.048 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.786 -7.655 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.372 -6.928 -7.787 1.00 0.00 H new ATOM 0 HG SER A 56 -7.520 -6.686 -9.943 1.00 0.00 H new ATOM 878 N SER A 57 -4.527 -4.963 -7.395 1.00 0.00 N ATOM 879 CA SER A 57 -3.033 -5.039 -7.346 1.00 0.00 C ATOM 880 C SER A 57 -2.533 -4.261 -6.138 1.00 0.00 C ATOM 881 O SER A 57 -2.249 -4.839 -5.116 1.00 0.00 O ATOM 882 CB SER A 57 -2.419 -4.443 -8.616 1.00 0.00 C ATOM 883 OG SER A 57 -2.648 -5.324 -9.707 1.00 0.00 O ATOM 0 H SER A 57 -4.905 -4.156 -7.891 1.00 0.00 H new ATOM 0 HA SER A 57 -2.738 -6.086 -7.271 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.859 -3.467 -8.823 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.349 -4.287 -8.478 1.00 0.00 H new ATOM 0 HG SER A 57 -2.258 -4.944 -10.522 1.00 0.00 H new ATOM 889 N ILE A 58 -2.434 -2.951 -6.255 1.00 0.00 N ATOM 890 CA ILE A 58 -1.957 -2.085 -5.120 1.00 0.00 C ATOM 891 C ILE A 58 -2.237 -2.755 -3.782 1.00 0.00 C ATOM 892 O ILE A 58 -1.411 -2.776 -2.893 1.00 0.00 O ATOM 893 CB ILE A 58 -2.715 -0.760 -5.187 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.203 0.214 -4.109 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.203 -1.011 -4.972 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.200 1.372 -3.948 1.00 0.00 C ATOM 0 H ILE A 58 -2.668 -2.438 -7.105 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.882 -1.925 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.551 -0.316 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.080 -0.309 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.223 0.600 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.742 -0.065 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.575 -1.680 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.357 -1.467 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.837 2.061 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.300 1.900 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.171 0.977 -3.648 1.00 0.00 H new ATOM 908 N LEU A 59 -3.402 -3.300 -3.637 1.00 0.00 N ATOM 909 CA LEU A 59 -3.734 -3.976 -2.350 1.00 0.00 C ATOM 910 C LEU A 59 -3.023 -5.334 -2.278 1.00 0.00 C ATOM 911 O LEU A 59 -2.388 -5.650 -1.298 1.00 0.00 O ATOM 912 CB LEU A 59 -5.248 -4.220 -2.207 1.00 0.00 C ATOM 913 CG LEU A 59 -6.046 -3.010 -2.679 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.526 -3.388 -2.756 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.853 -1.831 -1.715 1.00 0.00 C ATOM 0 H LEU A 59 -4.138 -3.311 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.403 -3.319 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.534 -5.097 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.488 -4.434 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.692 -2.707 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.104 -2.528 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.655 -4.210 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.875 -3.696 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.429 -0.975 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.195 -2.115 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.797 -1.564 -1.673 1.00 0.00 H new ATOM 927 N SER A 60 -3.153 -6.154 -3.294 1.00 0.00 N ATOM 928 CA SER A 60 -2.510 -7.509 -3.256 1.00 0.00 C ATOM 929 C SER A 60 -1.052 -7.443 -3.727 1.00 0.00 C ATOM 930 O SER A 60 -0.381 -8.452 -3.830 1.00 0.00 O ATOM 931 CB SER A 60 -3.287 -8.454 -4.172 1.00 0.00 C ATOM 932 OG SER A 60 -2.864 -9.791 -3.934 1.00 0.00 O ATOM 0 H SER A 60 -3.674 -5.946 -4.146 1.00 0.00 H new ATOM 0 HA SER A 60 -2.525 -7.871 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.357 -8.360 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.119 -8.187 -5.216 1.00 0.00 H new ATOM 0 HG SER A 60 -1.898 -9.804 -3.771 1.00 0.00 H new ATOM 938 N ILE A 61 -0.564 -6.279 -4.048 1.00 0.00 N ATOM 939 CA ILE A 61 0.836 -6.163 -4.548 1.00 0.00 C ATOM 940 C ILE A 61 1.841 -6.292 -3.391 1.00 0.00 C ATOM 941 O ILE A 61 2.656 -7.190 -3.386 1.00 0.00 O ATOM 942 CB ILE A 61 0.963 -4.816 -5.321 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.959 -4.933 -6.485 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.367 -3.654 -4.412 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.395 -5.015 -5.980 1.00 0.00 C ATOM 0 H ILE A 61 -1.075 -5.399 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 61 1.072 -6.977 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.029 -4.600 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.728 -5.819 -7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.852 -4.073 -7.146 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.441 -2.740 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.616 -3.524 -3.633 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.332 -3.869 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.075 -5.097 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.632 -4.116 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.506 -5.890 -5.340 1.00 0.00 H new ATOM 957 N LEU A 62 1.811 -5.417 -2.432 1.00 0.00 N ATOM 958 CA LEU A 62 2.798 -5.499 -1.309 1.00 0.00 C ATOM 959 C LEU A 62 2.784 -6.881 -0.650 1.00 0.00 C ATOM 960 O LEU A 62 3.548 -7.147 0.257 1.00 0.00 O ATOM 961 CB LEU A 62 2.487 -4.414 -0.282 1.00 0.00 C ATOM 962 CG LEU A 62 2.608 -3.044 -0.963 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.122 -1.954 -0.005 1.00 0.00 C ATOM 964 CD2 LEU A 62 4.063 -2.767 -1.385 1.00 0.00 C ATOM 0 H LEU A 62 1.148 -4.645 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 62 3.798 -5.342 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.482 -4.550 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.177 -4.480 0.559 1.00 0.00 H new ATOM 0 HG LEU A 62 1.989 -3.043 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.208 -0.981 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.080 -2.138 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.731 -1.966 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.123 -1.790 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.706 -2.779 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.392 -3.536 -2.084 1.00 0.00 H new ATOM 976 N LEU A 63 1.913 -7.756 -1.074 1.00 0.00 N ATOM 977 CA LEU A 63 1.834 -9.103 -0.457 1.00 0.00 C ATOM 978 C LEU A 63 2.592 -10.164 -1.264 1.00 0.00 C ATOM 979 O LEU A 63 3.249 -11.009 -0.689 1.00 0.00 O ATOM 980 CB LEU A 63 0.370 -9.503 -0.401 1.00 0.00 C ATOM 981 CG LEU A 63 -0.364 -8.596 0.592 1.00 0.00 C ATOM 982 CD1 LEU A 63 -0.527 -7.176 0.029 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.737 -9.199 0.908 1.00 0.00 C ATOM 0 H LEU A 63 1.248 -7.590 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 63 2.289 -9.051 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.080 -9.418 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.277 -10.545 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 63 0.227 -8.527 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.051 -6.555 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.456 -6.749 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.101 -7.215 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.263 -8.557 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.319 -9.281 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.608 -10.189 1.345 1.00 0.00 H new ATOM 995 N GLU A 64 2.465 -10.182 -2.577 1.00 0.00 N ATOM 996 CA GLU A 64 3.133 -11.254 -3.381 1.00 0.00 C ATOM 997 C GLU A 64 4.028 -10.666 -4.478 1.00 0.00 C ATOM 998 O GLU A 64 5.213 -10.933 -4.518 1.00 0.00 O ATOM 999 CB GLU A 64 2.000 -12.107 -3.988 1.00 0.00 C ATOM 1000 CG GLU A 64 2.375 -12.642 -5.368 1.00 0.00 C ATOM 1001 CD GLU A 64 1.411 -13.761 -5.772 1.00 0.00 C ATOM 1002 OE1 GLU A 64 0.256 -13.459 -6.020 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.847 -14.899 -5.827 1.00 0.00 O ATOM 0 H GLU A 64 1.930 -9.503 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 64 3.789 -11.855 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.776 -12.941 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.093 -11.507 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.340 -11.837 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.398 -13.018 -5.356 1.00 0.00 H new ATOM 1010 N GLU A 65 3.493 -9.888 -5.373 1.00 0.00 N ATOM 1011 CA GLU A 65 4.359 -9.328 -6.449 1.00 0.00 C ATOM 1012 C GLU A 65 5.493 -8.546 -5.801 1.00 0.00 C ATOM 1013 O GLU A 65 6.362 -8.007 -6.457 1.00 0.00 O ATOM 1014 CB GLU A 65 3.532 -8.415 -7.358 1.00 0.00 C ATOM 1015 CG GLU A 65 2.184 -9.075 -7.653 1.00 0.00 C ATOM 1016 CD GLU A 65 1.450 -8.282 -8.736 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.067 -7.986 -9.745 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.284 -7.986 -8.537 1.00 0.00 O ATOM 0 H GLU A 65 2.510 -9.617 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 65 4.772 -10.133 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.378 -7.448 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.068 -8.227 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.335 -10.103 -7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.581 -9.115 -6.746 1.00 0.00 H new ATOM 1025 N VAL A 66 5.459 -8.468 -4.506 1.00 0.00 N ATOM 1026 CA VAL A 66 6.479 -7.717 -3.746 1.00 0.00 C ATOM 1027 C VAL A 66 6.753 -8.452 -2.421 1.00 0.00 C ATOM 1028 O VAL A 66 5.857 -8.669 -1.629 1.00 0.00 O ATOM 1029 CB VAL A 66 5.864 -6.333 -3.499 1.00 0.00 C ATOM 1030 CG1 VAL A 66 6.310 -5.723 -2.177 1.00 0.00 C ATOM 1031 CG2 VAL A 66 6.216 -5.406 -4.651 1.00 0.00 C ATOM 0 H VAL A 66 4.743 -8.908 -3.928 1.00 0.00 H new ATOM 0 HA VAL A 66 7.429 -7.630 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 66 4.783 -6.460 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.846 -4.745 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.010 -6.374 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.394 -5.613 -2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.778 -4.423 -4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.299 -5.313 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.823 -5.816 -5.581 1.00 0.00 H new ATOM 1041 N SER A 67 7.980 -8.820 -2.169 1.00 0.00 N ATOM 1042 CA SER A 67 8.294 -9.518 -0.889 1.00 0.00 C ATOM 1043 C SER A 67 8.361 -8.456 0.229 1.00 0.00 C ATOM 1044 O SER A 67 8.814 -7.362 -0.029 1.00 0.00 O ATOM 1045 CB SER A 67 9.651 -10.220 -1.023 1.00 0.00 C ATOM 1046 OG SER A 67 9.762 -11.233 -0.033 1.00 0.00 O ATOM 0 H SER A 67 8.775 -8.669 -2.790 1.00 0.00 H new ATOM 0 HA SER A 67 7.531 -10.260 -0.654 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.750 -10.656 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.459 -9.497 -0.910 1.00 0.00 H new ATOM 0 HG SER A 67 10.629 -11.682 -0.120 1.00 0.00 H new ATOM 1052 N PRO A 68 7.914 -8.775 1.432 1.00 0.00 N ATOM 1053 CA PRO A 68 7.938 -7.796 2.537 1.00 0.00 C ATOM 1054 C PRO A 68 9.326 -7.152 2.672 1.00 0.00 C ATOM 1055 O PRO A 68 9.442 -5.986 2.993 1.00 0.00 O ATOM 1056 CB PRO A 68 7.528 -8.605 3.786 1.00 0.00 C ATOM 1057 CG PRO A 68 7.229 -10.061 3.334 1.00 0.00 C ATOM 1058 CD PRO A 68 7.369 -10.102 1.802 1.00 0.00 C ATOM 0 HA PRO A 68 7.260 -6.958 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.326 -8.592 4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.649 -8.163 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.923 -10.759 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.225 -10.359 3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.036 -10.904 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.407 -10.281 1.322 1.00 0.00 H new ATOM 1066 N GLU A 69 10.379 -7.875 2.419 1.00 0.00 N ATOM 1067 CA GLU A 69 11.729 -7.253 2.537 1.00 0.00 C ATOM 1068 C GLU A 69 11.874 -6.154 1.476 1.00 0.00 C ATOM 1069 O GLU A 69 12.309 -5.052 1.761 1.00 0.00 O ATOM 1070 CB GLU A 69 12.812 -8.317 2.341 1.00 0.00 C ATOM 1071 CG GLU A 69 14.178 -7.729 2.703 1.00 0.00 C ATOM 1072 CD GLU A 69 14.265 -7.538 4.218 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.263 -8.535 4.920 1.00 0.00 O ATOM 1074 OE2 GLU A 69 14.333 -6.399 4.649 1.00 0.00 O ATOM 0 H GLU A 69 10.367 -8.856 2.139 1.00 0.00 H new ATOM 0 HA GLU A 69 11.843 -6.816 3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.601 -9.185 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.815 -8.662 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.973 -8.392 2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.321 -6.774 2.196 1.00 0.00 H new ATOM 1081 N LEU A 70 11.500 -6.435 0.259 1.00 0.00 N ATOM 1082 CA LEU A 70 11.603 -5.405 -0.806 1.00 0.00 C ATOM 1083 C LEU A 70 10.881 -4.143 -0.327 1.00 0.00 C ATOM 1084 O LEU A 70 11.349 -3.036 -0.497 1.00 0.00 O ATOM 1085 CB LEU A 70 10.944 -5.956 -2.083 1.00 0.00 C ATOM 1086 CG LEU A 70 10.645 -4.834 -3.085 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.938 -4.092 -3.432 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.059 -5.446 -4.363 1.00 0.00 C ATOM 0 H LEU A 70 11.127 -7.335 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 70 12.643 -5.161 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.601 -6.693 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.019 -6.471 -1.824 1.00 0.00 H new ATOM 0 HG LEU A 70 9.934 -4.135 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.721 -3.296 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.365 -3.662 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.650 -4.789 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.844 -4.654 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.778 -6.142 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.138 -5.978 -4.123 1.00 0.00 H new ATOM 1100 N VAL A 71 9.737 -4.307 0.272 1.00 0.00 N ATOM 1101 CA VAL A 71 8.972 -3.126 0.762 1.00 0.00 C ATOM 1102 C VAL A 71 9.905 -2.192 1.521 1.00 0.00 C ATOM 1103 O VAL A 71 10.114 -1.067 1.121 1.00 0.00 O ATOM 1104 CB VAL A 71 7.849 -3.597 1.680 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.933 -2.421 2.026 1.00 0.00 C ATOM 1106 CG2 VAL A 71 7.048 -4.668 0.952 1.00 0.00 C ATOM 0 H VAL A 71 9.296 -5.210 0.445 1.00 0.00 H new ATOM 0 HA VAL A 71 8.544 -2.590 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 71 8.268 -4.001 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.133 -2.764 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.510 -1.647 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.503 -2.014 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.239 -5.017 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.630 -4.250 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.701 -5.505 0.703 1.00 0.00 H new ATOM 1116 N CYS A 72 10.477 -2.650 2.608 1.00 0.00 N ATOM 1117 CA CYS A 72 11.410 -1.764 3.384 1.00 0.00 C ATOM 1118 C CYS A 72 12.339 -1.048 2.403 1.00 0.00 C ATOM 1119 O CYS A 72 12.778 0.060 2.640 1.00 0.00 O ATOM 1120 CB CYS A 72 12.243 -2.580 4.379 1.00 0.00 C ATOM 1121 SG CYS A 72 13.250 -1.449 5.372 1.00 0.00 S ATOM 0 H CYS A 72 10.343 -3.586 2.990 1.00 0.00 H new ATOM 0 HA CYS A 72 10.823 -1.039 3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.590 -3.167 5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.882 -3.284 3.846 1.00 0.00 H new ATOM 1126 N SER A 73 12.608 -1.663 1.282 1.00 0.00 N ATOM 1127 CA SER A 73 13.470 -0.999 0.268 1.00 0.00 C ATOM 1128 C SER A 73 12.625 0.066 -0.447 1.00 0.00 C ATOM 1129 O SER A 73 12.991 1.223 -0.506 1.00 0.00 O ATOM 1130 CB SER A 73 14.005 -2.044 -0.728 1.00 0.00 C ATOM 1131 OG SER A 73 15.426 -1.998 -0.729 1.00 0.00 O ATOM 0 H SER A 73 12.269 -2.591 1.028 1.00 0.00 H new ATOM 0 HA SER A 73 14.330 -0.524 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.661 -3.040 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.621 -1.842 -1.728 1.00 0.00 H new ATOM 0 HG SER A 73 15.774 -2.662 -1.360 1.00 0.00 H new ATOM 1137 N MET A 74 11.485 -0.311 -0.977 1.00 0.00 N ATOM 1138 CA MET A 74 10.624 0.696 -1.664 1.00 0.00 C ATOM 1139 C MET A 74 10.317 1.833 -0.688 1.00 0.00 C ATOM 1140 O MET A 74 10.327 2.993 -1.050 1.00 0.00 O ATOM 1141 CB MET A 74 9.305 0.050 -2.111 1.00 0.00 C ATOM 1142 CG MET A 74 9.539 -0.863 -3.320 1.00 0.00 C ATOM 1143 SD MET A 74 7.984 -1.081 -4.225 1.00 0.00 S ATOM 1144 CE MET A 74 7.111 -2.074 -2.986 1.00 0.00 C ATOM 0 H MET A 74 11.119 -1.263 -0.963 1.00 0.00 H new ATOM 0 HA MET A 74 11.148 1.078 -2.540 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.878 -0.526 -1.290 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.582 0.824 -2.367 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.295 -0.430 -3.975 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.919 -1.830 -2.990 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.166 -2.424 -3.401 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.725 -2.931 -2.708 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.917 -1.465 -2.103 1.00 0.00 H new ATOM 1154 N LEU A 75 10.046 1.513 0.548 1.00 0.00 N ATOM 1155 CA LEU A 75 9.745 2.585 1.535 1.00 0.00 C ATOM 1156 C LEU A 75 10.964 3.498 1.650 1.00 0.00 C ATOM 1157 O LEU A 75 10.898 4.570 2.219 1.00 0.00 O ATOM 1158 CB LEU A 75 9.427 1.970 2.904 1.00 0.00 C ATOM 1159 CG LEU A 75 8.226 1.018 2.794 1.00 0.00 C ATOM 1160 CD1 LEU A 75 7.938 0.402 4.171 1.00 0.00 C ATOM 1161 CD2 LEU A 75 6.987 1.783 2.294 1.00 0.00 C ATOM 0 H LEU A 75 10.020 0.561 0.914 1.00 0.00 H new ATOM 0 HA LEU A 75 8.879 3.157 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.296 1.429 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.209 2.759 3.623 1.00 0.00 H new ATOM 0 HG LEU A 75 8.459 0.226 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.086 -0.274 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.812 -0.152 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.711 1.195 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.142 1.098 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.746 2.583 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.195 2.210 1.313 1.00 0.00 H new ATOM 1173 N HIS A 76 12.072 3.094 1.088 1.00 0.00 N ATOM 1174 CA HIS A 76 13.289 3.950 1.136 1.00 0.00 C ATOM 1175 C HIS A 76 13.869 3.960 2.558 1.00 0.00 C ATOM 1176 O HIS A 76 14.575 4.872 2.942 1.00 0.00 O ATOM 1177 CB HIS A 76 12.894 5.374 0.696 1.00 0.00 C ATOM 1178 CG HIS A 76 13.996 6.008 -0.109 1.00 0.00 C ATOM 1179 ND1 HIS A 76 15.119 6.570 0.476 1.00 0.00 N ATOM 1180 CD2 HIS A 76 14.151 6.174 -1.460 1.00 0.00 C ATOM 1181 CE1 HIS A 76 15.896 7.045 -0.516 1.00 0.00 C ATOM 1182 NE2 HIS A 76 15.352 6.830 -1.717 1.00 0.00 N ATOM 0 H HIS A 76 12.185 2.207 0.598 1.00 0.00 H new ATOM 0 HA HIS A 76 14.055 3.559 0.466 1.00 0.00 H new ATOM 0 HB2 HIS A 76 11.980 5.336 0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.680 5.985 1.573 1.00 0.00 H new ATOM 0 HD1 HIS A 76 15.320 6.616 1.475 1.00 0.00 H new ATOM 0 HD2 HIS A 76 13.448 5.846 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 76 16.843 7.539 -0.360 1.00 0.00 H new ATOM 1190 N LEU A 77 13.587 2.947 3.338 1.00 0.00 N ATOM 1191 CA LEU A 77 14.131 2.892 4.730 1.00 0.00 C ATOM 1192 C LEU A 77 15.416 2.063 4.733 1.00 0.00 C ATOM 1193 O LEU A 77 15.949 1.729 5.773 1.00 0.00 O ATOM 1194 CB LEU A 77 13.106 2.232 5.657 1.00 0.00 C ATOM 1195 CG LEU A 77 11.871 3.132 5.813 1.00 0.00 C ATOM 1196 CD1 LEU A 77 10.801 2.372 6.604 1.00 0.00 C ATOM 1197 CD2 LEU A 77 12.242 4.433 6.557 1.00 0.00 C ATOM 0 H LEU A 77 13.003 2.155 3.071 1.00 0.00 H new ATOM 0 HA LEU A 77 14.339 3.903 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.810 1.264 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.555 2.046 6.633 1.00 0.00 H new ATOM 0 HG LEU A 77 11.490 3.395 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.919 3.002 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.529 1.463 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.193 2.110 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.356 5.059 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.629 4.189 7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.003 4.971 5.992 1.00 0.00 H new ATOM 1209 N CYS A 78 15.917 1.726 3.576 1.00 0.00 N ATOM 1210 CA CYS A 78 17.166 0.916 3.510 1.00 0.00 C ATOM 1211 C CYS A 78 17.759 1.015 2.103 1.00 0.00 C ATOM 1212 O CYS A 78 18.300 0.062 1.578 1.00 0.00 O ATOM 1213 CB CYS A 78 16.839 -0.544 3.826 1.00 0.00 C ATOM 1214 SG CYS A 78 18.372 -1.460 4.117 1.00 0.00 S ATOM 0 H CYS A 78 15.515 1.977 2.673 1.00 0.00 H new ATOM 0 HA CYS A 78 17.887 1.292 4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 78 16.197 -0.601 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 78 16.288 -0.991 2.999 1.00 0.00 H new ATOM 1219 N SER A 79 17.659 2.162 1.488 1.00 0.00 N ATOM 1220 CA SER A 79 18.214 2.323 0.114 1.00 0.00 C ATOM 1221 C SER A 79 19.700 1.960 0.113 1.00 0.00 C ATOM 1222 O SER A 79 20.555 2.801 0.310 1.00 0.00 O ATOM 1223 CB SER A 79 18.042 3.773 -0.337 1.00 0.00 C ATOM 1224 OG SER A 79 18.752 4.627 0.550 1.00 0.00 O ATOM 0 H SER A 79 17.217 2.995 1.878 1.00 0.00 H new ATOM 0 HA SER A 79 17.682 1.663 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.413 3.896 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 79 16.985 4.039 -0.349 1.00 0.00 H new ATOM 0 HG SER A 79 19.629 4.237 0.747 1.00 0.00 H new ATOM 1230 N GLY A 80 20.016 0.715 -0.115 1.00 0.00 N ATOM 1231 CA GLY A 80 21.447 0.299 -0.136 1.00 0.00 C ATOM 1232 C GLY A 80 22.063 0.687 -1.477 1.00 0.00 C ATOM 1233 O GLY A 80 23.227 1.027 -1.567 1.00 0.00 O ATOM 0 H GLY A 80 19.344 -0.033 -0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 80 21.989 0.778 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 80 21.527 -0.777 0.017 1.00 0.00 H new ATOM 1237 N LEU A 81 21.277 0.644 -2.521 1.00 0.00 N ATOM 1238 CA LEU A 81 21.760 1.008 -3.875 1.00 0.00 C ATOM 1239 C LEU A 81 21.078 2.306 -4.274 1.00 0.00 C ATOM 1240 O LEU A 81 20.279 2.841 -3.532 1.00 0.00 O ATOM 1241 CB LEU A 81 21.407 -0.149 -4.849 1.00 0.00 C ATOM 1242 CG LEU A 81 20.096 0.099 -5.624 1.00 0.00 C ATOM 1243 CD1 LEU A 81 19.733 -1.175 -6.396 1.00 0.00 C ATOM 1244 CD2 LEU A 81 18.929 0.497 -4.678 1.00 0.00 C ATOM 0 H LEU A 81 20.297 0.364 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 81 22.840 1.155 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.223 -0.282 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.320 -1.078 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 81 20.252 0.931 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.808 -1.014 -6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.535 -1.419 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.598 -1.999 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.025 0.662 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 81 18.754 -0.304 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.188 1.412 -4.145 1.00 0.00 H new ATOM 1256 N VAL A 82 21.342 2.811 -5.437 1.00 0.00 N ATOM 1257 CA VAL A 82 20.644 4.059 -5.835 1.00 0.00 C ATOM 1258 C VAL A 82 19.182 3.696 -6.171 1.00 0.00 C ATOM 1259 O VAL A 82 18.954 2.739 -6.882 1.00 0.00 O ATOM 1260 CB VAL A 82 21.322 4.684 -7.060 1.00 0.00 C ATOM 1261 CG1 VAL A 82 22.538 5.498 -6.617 1.00 0.00 C ATOM 1262 CG2 VAL A 82 21.768 3.575 -8.016 1.00 0.00 C ATOM 0 H VAL A 82 21.996 2.426 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 82 20.682 4.785 -5.022 1.00 0.00 H new ATOM 0 HB VAL A 82 20.616 5.341 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 82 23.017 5.941 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 82 22.219 6.289 -5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 82 23.246 4.846 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A 82 22.250 4.018 -8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 82 22.472 2.917 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 82 20.900 2.999 -8.336 1.00 0.00 H new ATOM 1272 N PRO A 83 18.218 4.438 -5.654 1.00 0.00 N ATOM 1273 CA PRO A 83 16.805 4.129 -5.916 1.00 0.00 C ATOM 1274 C PRO A 83 16.576 3.850 -7.409 1.00 0.00 C ATOM 1275 O PRO A 83 16.759 4.712 -8.245 1.00 0.00 O ATOM 1276 CB PRO A 83 16.037 5.375 -5.447 1.00 0.00 C ATOM 1277 CG PRO A 83 17.012 6.183 -4.557 1.00 0.00 C ATOM 1278 CD PRO A 83 18.428 5.622 -4.798 1.00 0.00 C ATOM 0 HA PRO A 83 16.471 3.232 -5.394 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.705 5.970 -6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.145 5.093 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 83 16.971 7.243 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.737 6.093 -3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 83 19.068 6.357 -5.287 1.00 0.00 H new ATOM 0 HD3 PRO A 83 18.913 5.352 -3.860 1.00 0.00 H new ATOM 1286 N ARG A 84 16.170 2.656 -7.747 1.00 0.00 N ATOM 1287 CA ARG A 84 15.923 2.329 -9.183 1.00 0.00 C ATOM 1288 C ARG A 84 14.505 2.762 -9.563 1.00 0.00 C ATOM 1289 O ARG A 84 13.765 3.142 -8.672 1.00 0.00 O ATOM 1290 CB ARG A 84 16.069 0.819 -9.398 1.00 0.00 C ATOM 1291 CG ARG A 84 17.474 0.357 -8.979 1.00 0.00 C ATOM 1292 CD ARG A 84 18.491 0.653 -10.090 1.00 0.00 C ATOM 1293 NE ARG A 84 18.019 0.071 -11.379 1.00 0.00 N ATOM 1294 CZ ARG A 84 18.554 0.459 -12.503 1.00 0.00 C ATOM 1295 NH1 ARG A 84 19.508 1.349 -12.499 1.00 0.00 N ATOM 1296 NH2 ARG A 84 18.135 -0.043 -13.633 1.00 0.00 N ATOM 1297 OXT ARG A 84 14.185 2.705 -10.739 1.00 0.00 O ATOM 0 H ARG A 84 15.998 1.893 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 84 16.647 2.855 -9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.315 0.287 -8.818 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.895 0.575 -10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.771 0.864 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.463 -0.711 -8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.625 1.730 -10.195 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.463 0.235 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 84 17.278 -0.630 -11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.836 1.742 -11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.926 1.652 -13.378 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.389 -0.739 -13.637 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.554 0.261 -14.512 1.00 0.00 H new TER 1311 ARG A 84