USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1012 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 39 HIS : no HE2:sc= -3.77 K(o=-8.2,f=-12) USER MOD Set 1.2: A 120 CYS SG : rot 150:sc= -1.97! USER MOD Set 1.3: A 122 CYS SG : rot -77:sc= -0.999 USER MOD Set 1.4: A 127 CYS SG : rot 1:sc= -1.42 USER MOD Set 2.1: A 8 SER OG : rot 180:sc= -0.027 USER MOD Set 2.2: A 101 ASN : amide:sc= -1.88 K(o=-8.1,f=-21!) USER MOD Set 2.3: A 103 MET CE :methyl 138:sc= -6.24! (180deg=-8.5!) USER MOD Set 3.1: A 71 HIS : no HE2:sc= -8.06! C(o=-7.8!,f=-11!) USER MOD Set 3.2: A 75 SER OG : rot 99:sc= 0.245 USER MOD Set 4.1: A 56 SER OG : rot -110:sc= 0.722! USER MOD Set 4.2: A 89 TYR OH : rot 103:sc= -1.24! USER MOD Set 5.1: A 23 ASN : amide:sc= 0.925 K(o=1.8,f=-5.4!) USER MOD Set 5.2: A 67 THR OG1 : rot 106:sc= 0.88 USER MOD Set 6.1: A 12 SER OG : rot 114:sc= 1.17 USER MOD Set 6.2: A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.51 (180deg=-1.75!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.633 F(o=-1.2,f=-0.63) USER MOD Single : A 19 HIS : no HD1:sc= -2.58 K(o=-2.6,f=-3.5!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 36 TYR OH : rot -41:sc= 1.15 USER MOD Single : A 43 SER OG : rot -127:sc= -4.19! USER MOD Single : A 45 HIS : no HD1:sc= -7.09! C(o=-7.1!,f=-9.5!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 61:sc= -1.53! USER MOD Single : A 50 SER OG : rot 86:sc= 1.12 USER MOD Single : A 54 LYS NZ :NH3+ 145:sc= -1.91 (180deg=-4.19!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.12 F(o=-5.3!,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0395) USER MOD Single : A 72 SER OG : rot 149:sc= 0.764 USER MOD Single : A 76 GLN : amide:sc= -6.34! C(o=-6.3!,f=-8.1!) USER MOD Single : A 81 THR OG1 : rot 63:sc= 0.986 USER MOD Single : A 82 CYS SG : rot 140:sc= -0.0471 USER MOD Single : A 88 ASN : amide:sc= -7.62! C(o=-7.6!,f=-9.6!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 145:sc= -0.0415 (180deg=-0.592) USER MOD Single : A 97 THR OG1 : rot -147:sc= -2.16! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ -113:sc= -4.42! (180deg=-6.03!) USER MOD Single : A 128 LYS NZ :NH3+ 137:sc= -1.43 (180deg=-3.69!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.233 19.319 9.170 1.00 0.00 N ATOM 2 CA MET A 1 6.151 18.428 8.671 1.00 0.00 C ATOM 3 C MET A 1 6.694 17.390 7.694 1.00 0.00 C ATOM 4 O MET A 1 6.468 16.192 7.859 1.00 0.00 O ATOM 5 CB MET A 1 5.079 19.287 7.991 1.00 0.00 C ATOM 6 CG MET A 1 5.639 20.303 7.008 1.00 0.00 C ATOM 7 SD MET A 1 4.675 21.827 6.961 1.00 0.00 S ATOM 8 CE MET A 1 5.969 23.053 7.141 1.00 0.00 C ATOM 0 H1 MET A 1 6.853 20.275 9.322 1.00 0.00 H new ATOM 0 H2 MET A 1 7.603 18.947 10.068 1.00 0.00 H new ATOM 0 H3 MET A 1 8.000 19.359 8.469 1.00 0.00 H new ATOM 0 HA MET A 1 5.719 17.889 9.514 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.382 18.634 7.466 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.508 19.813 8.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.668 20.537 7.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.665 19.863 6.011 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.529 24.050 7.130 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.490 22.896 8.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.676 22.959 6.317 1.00 0.00 H new ATOM 18 N ALA A 2 7.412 17.856 6.677 1.00 0.00 N ATOM 19 CA ALA A 2 7.987 16.963 5.679 1.00 0.00 C ATOM 20 C ALA A 2 9.414 17.374 5.335 1.00 0.00 C ATOM 21 O ALA A 2 9.701 18.555 5.141 1.00 0.00 O ATOM 22 CB ALA A 2 7.124 16.945 4.426 1.00 0.00 C ATOM 0 H ALA A 2 7.609 18.845 6.523 1.00 0.00 H new ATOM 0 HA ALA A 2 8.017 15.958 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.566 16.274 3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.122 16.597 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.065 17.951 4.011 1.00 0.00 H new ATOM 28 N MET A 3 10.307 16.393 5.261 1.00 0.00 N ATOM 29 CA MET A 3 11.705 16.656 4.941 1.00 0.00 C ATOM 30 C MET A 3 12.047 16.163 3.538 1.00 0.00 C ATOM 31 O MET A 3 13.192 15.811 3.256 1.00 0.00 O ATOM 32 CB MET A 3 12.623 15.989 5.969 1.00 0.00 C ATOM 33 CG MET A 3 12.133 16.123 7.401 1.00 0.00 C ATOM 34 SD MET A 3 13.483 16.311 8.581 1.00 0.00 S ATOM 35 CE MET A 3 13.579 18.096 8.700 1.00 0.00 C ATOM 0 H MET A 3 10.088 15.409 5.418 1.00 0.00 H new ATOM 0 HA MET A 3 11.860 17.734 4.974 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.720 14.931 5.725 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.618 16.426 5.892 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.468 16.984 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.545 15.243 7.664 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.371 18.372 9.396 1.00 0.00 H new ATOM 0 HE2 MET A 3 13.797 18.515 7.718 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.628 18.488 9.059 1.00 0.00 H new ATOM 45 N ALA A 4 11.046 16.146 2.663 1.00 0.00 N ATOM 46 CA ALA A 4 11.232 15.703 1.284 1.00 0.00 C ATOM 47 C ALA A 4 12.048 14.413 1.214 1.00 0.00 C ATOM 48 O ALA A 4 13.188 14.411 0.750 1.00 0.00 O ATOM 49 CB ALA A 4 11.901 16.798 0.467 1.00 0.00 C ATOM 0 H ALA A 4 10.093 16.435 2.885 1.00 0.00 H new ATOM 0 HA ALA A 4 10.248 15.495 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.034 16.456 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.275 17.691 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.873 17.033 0.900 1.00 0.00 H new ATOM 55 N ARG A 5 11.455 13.317 1.678 1.00 0.00 N ATOM 56 CA ARG A 5 12.128 12.023 1.665 1.00 0.00 C ATOM 57 C ARG A 5 11.153 10.905 1.306 1.00 0.00 C ATOM 58 O ARG A 5 10.053 11.162 0.813 1.00 0.00 O ATOM 59 CB ARG A 5 12.777 11.747 3.028 1.00 0.00 C ATOM 60 CG ARG A 5 11.785 11.385 4.125 1.00 0.00 C ATOM 61 CD ARG A 5 10.738 12.471 4.308 1.00 0.00 C ATOM 62 NE ARG A 5 10.229 12.518 5.677 1.00 0.00 N ATOM 63 CZ ARG A 5 9.070 13.077 6.016 1.00 0.00 C ATOM 64 NH1 ARG A 5 8.297 13.633 5.091 1.00 0.00 N ATOM 65 NH2 ARG A 5 8.681 13.077 7.284 1.00 0.00 N ATOM 0 H ARG A 5 10.512 13.299 2.067 1.00 0.00 H new ATOM 0 HA ARG A 5 12.907 12.052 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.495 10.934 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.338 12.629 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.295 10.443 3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.318 11.230 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.170 13.438 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.911 12.296 3.620 1.00 0.00 H new ATOM 0 HE ARG A 5 10.794 12.098 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.590 13.633 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.410 14.060 5.357 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.270 12.649 7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.793 13.505 7.545 1.00 0.00 H new ATOM 79 N SER A 6 11.561 9.665 1.555 1.00 0.00 N ATOM 80 CA SER A 6 10.722 8.510 1.256 1.00 0.00 C ATOM 81 C SER A 6 9.675 8.303 2.344 1.00 0.00 C ATOM 82 O SER A 6 9.727 8.937 3.396 1.00 0.00 O ATOM 83 CB SER A 6 11.580 7.252 1.111 1.00 0.00 C ATOM 84 OG SER A 6 12.793 7.536 0.435 1.00 0.00 O ATOM 0 H SER A 6 12.467 9.434 1.963 1.00 0.00 H new ATOM 0 HA SER A 6 10.208 8.700 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.797 6.841 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.025 6.491 0.563 1.00 0.00 H new ATOM 0 HG SER A 6 13.324 6.716 0.357 1.00 0.00 H new ATOM 90 N ILE A 7 8.727 7.407 2.071 1.00 0.00 N ATOM 91 CA ILE A 7 7.645 7.086 3.006 1.00 0.00 C ATOM 92 C ILE A 7 6.997 8.345 3.578 1.00 0.00 C ATOM 93 O ILE A 7 7.608 9.084 4.347 1.00 0.00 O ATOM 94 CB ILE A 7 8.132 6.168 4.154 1.00 0.00 C ATOM 95 CG1 ILE A 7 6.965 5.797 5.083 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.275 6.808 4.934 1.00 0.00 C ATOM 97 CD1 ILE A 7 6.603 6.867 6.095 1.00 0.00 C ATOM 0 H ILE A 7 8.686 6.883 1.197 1.00 0.00 H new ATOM 0 HA ILE A 7 6.891 6.546 2.433 1.00 0.00 H new ATOM 0 HB ILE A 7 8.517 5.251 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.088 5.579 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.219 4.881 5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.592 6.136 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.113 6.995 4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.938 7.751 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.771 6.521 6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.463 7.071 6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.315 7.779 5.573 1.00 0.00 H new ATOM 109 N SER A 8 5.747 8.585 3.194 1.00 0.00 N ATOM 110 CA SER A 8 5.024 9.759 3.675 1.00 0.00 C ATOM 111 C SER A 8 3.533 9.474 3.817 1.00 0.00 C ATOM 112 O SER A 8 2.982 8.654 3.089 1.00 0.00 O ATOM 113 CB SER A 8 5.240 10.938 2.723 1.00 0.00 C ATOM 114 OG SER A 8 5.424 10.491 1.391 1.00 0.00 O ATOM 0 H SER A 8 5.217 7.989 2.558 1.00 0.00 H new ATOM 0 HA SER A 8 5.416 10.012 4.660 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.382 11.609 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.111 11.511 3.041 1.00 0.00 H new ATOM 0 HG SER A 8 5.558 11.263 0.802 1.00 0.00 H new ATOM 120 N TYR A 9 2.885 10.166 4.754 1.00 0.00 N ATOM 121 CA TYR A 9 1.449 9.996 4.985 1.00 0.00 C ATOM 122 C TYR A 9 0.665 11.046 4.208 1.00 0.00 C ATOM 123 O TYR A 9 0.975 12.235 4.285 1.00 0.00 O ATOM 124 CB TYR A 9 1.105 10.106 6.482 1.00 0.00 C ATOM 125 CG TYR A 9 2.304 10.169 7.406 1.00 0.00 C ATOM 126 CD1 TYR A 9 2.983 11.364 7.615 1.00 0.00 C ATOM 127 CD2 TYR A 9 2.753 9.037 8.074 1.00 0.00 C ATOM 128 CE1 TYR A 9 4.074 11.427 8.460 1.00 0.00 C ATOM 129 CE2 TYR A 9 3.843 9.092 8.921 1.00 0.00 C ATOM 130 CZ TYR A 9 4.500 10.289 9.111 1.00 0.00 C ATOM 131 OH TYR A 9 5.585 10.347 9.954 1.00 0.00 O ATOM 0 H TYR A 9 3.331 10.850 5.366 1.00 0.00 H new ATOM 0 HA TYR A 9 1.173 9.000 4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.498 10.998 6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.492 9.250 6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.652 12.258 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.241 8.097 7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.591 12.363 8.610 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.179 8.202 9.432 1.00 0.00 H new ATOM 0 HH TYR A 9 5.753 9.459 10.333 1.00 0.00 H new ATOM 141 N ILE A 10 -0.347 10.618 3.455 1.00 0.00 N ATOM 142 CA ILE A 10 -1.143 11.567 2.675 1.00 0.00 C ATOM 143 C ILE A 10 -2.638 11.268 2.747 1.00 0.00 C ATOM 144 O ILE A 10 -3.067 10.124 2.596 1.00 0.00 O ATOM 145 CB ILE A 10 -0.711 11.600 1.187 1.00 0.00 C ATOM 146 CG1 ILE A 10 -0.073 10.268 0.774 1.00 0.00 C ATOM 147 CG2 ILE A 10 0.242 12.766 0.929 1.00 0.00 C ATOM 148 CD1 ILE A 10 1.361 10.106 1.232 1.00 0.00 C ATOM 0 H ILE A 10 -0.632 9.642 3.368 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.957 12.542 3.125 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.602 11.748 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.668 9.450 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.109 10.180 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.534 12.772 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.257 13.704 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.130 12.655 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.742 9.140 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.971 10.902 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.404 10.160 2.320 1.00 0.00 H new ATOM 160 N THR A 11 -3.423 12.320 2.964 1.00 0.00 N ATOM 161 CA THR A 11 -4.878 12.207 3.042 1.00 0.00 C ATOM 162 C THR A 11 -5.517 12.503 1.682 1.00 0.00 C ATOM 163 O THR A 11 -4.838 12.942 0.754 1.00 0.00 O ATOM 164 CB THR A 11 -5.436 13.137 4.134 1.00 0.00 C ATOM 165 OG1 THR A 11 -6.448 12.479 4.876 1.00 0.00 O ATOM 166 CG2 THR A 11 -6.029 14.434 3.613 1.00 0.00 C ATOM 0 H THR A 11 -3.072 13.269 3.090 1.00 0.00 H new ATOM 0 HA THR A 11 -5.131 11.182 3.314 1.00 0.00 H new ATOM 0 HB THR A 11 -4.572 13.387 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.792 13.083 5.567 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.398 15.027 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.263 14.996 3.079 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.853 14.211 2.935 1.00 0.00 H new ATOM 174 N SER A 12 -6.823 12.251 1.577 1.00 0.00 N ATOM 175 CA SER A 12 -7.575 12.478 0.336 1.00 0.00 C ATOM 176 C SER A 12 -7.041 13.671 -0.462 1.00 0.00 C ATOM 177 O SER A 12 -6.541 13.506 -1.575 1.00 0.00 O ATOM 178 CB SER A 12 -9.058 12.691 0.651 1.00 0.00 C ATOM 179 OG SER A 12 -9.801 11.505 0.427 1.00 0.00 O ATOM 0 H SER A 12 -7.389 11.886 2.343 1.00 0.00 H new ATOM 0 HA SER A 12 -7.449 11.588 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.171 13.005 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.453 13.495 0.030 1.00 0.00 H new ATOM 0 HG SER A 12 -10.145 11.168 1.281 1.00 0.00 H new ATOM 185 N THR A 13 -7.150 14.869 0.104 1.00 0.00 N ATOM 186 CA THR A 13 -6.675 16.073 -0.573 1.00 0.00 C ATOM 187 C THR A 13 -5.181 16.000 -0.818 1.00 0.00 C ATOM 188 O THR A 13 -4.698 16.435 -1.862 1.00 0.00 O ATOM 189 CB THR A 13 -7.006 17.329 0.224 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.577 17.202 1.570 1.00 0.00 O ATOM 191 CG2 THR A 13 -8.483 17.663 0.238 1.00 0.00 C ATOM 0 H THR A 13 -7.560 15.033 1.023 1.00 0.00 H new ATOM 0 HA THR A 13 -7.190 16.129 -1.532 1.00 0.00 H new ATOM 0 HB THR A 13 -6.476 18.136 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.798 18.020 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.646 18.568 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.829 17.824 -0.783 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.038 16.838 0.684 1.00 0.00 H new ATOM 199 N GLN A 14 -4.448 15.428 0.130 1.00 0.00 N ATOM 200 CA GLN A 14 -3.010 15.287 -0.031 1.00 0.00 C ATOM 201 C GLN A 14 -2.728 14.489 -1.298 1.00 0.00 C ATOM 202 O GLN A 14 -1.640 14.565 -1.867 1.00 0.00 O ATOM 203 CB GLN A 14 -2.395 14.597 1.186 1.00 0.00 C ATOM 204 CG GLN A 14 -2.743 15.267 2.506 1.00 0.00 C ATOM 205 CD GLN A 14 -1.632 15.147 3.533 1.00 0.00 C ATOM 206 OE1 GLN A 14 -1.958 14.598 4.697 1.00 0.00 O flip ATOM 207 NE2 GLN A 14 -0.494 15.543 3.281 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.821 15.060 1.005 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.558 16.275 -0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.732 13.561 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.311 14.577 1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.956 16.321 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.653 14.821 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.288 15.959 2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.243 15.455 3.981 1.00 0.00 H new ATOM 216 N LEU A 15 -3.743 13.756 -1.757 1.00 0.00 N ATOM 217 CA LEU A 15 -3.636 12.987 -2.981 1.00 0.00 C ATOM 218 C LEU A 15 -3.699 13.920 -4.189 1.00 0.00 C ATOM 219 O LEU A 15 -3.205 13.582 -5.264 1.00 0.00 O ATOM 220 CB LEU A 15 -4.749 11.938 -3.061 1.00 0.00 C ATOM 221 CG LEU A 15 -4.297 10.549 -3.515 1.00 0.00 C ATOM 222 CD1 LEU A 15 -3.552 10.636 -4.838 1.00 0.00 C ATOM 223 CD2 LEU A 15 -3.422 9.903 -2.450 1.00 0.00 C ATOM 0 H LEU A 15 -4.648 13.684 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.678 12.468 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.215 11.849 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.516 12.296 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.181 9.928 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.238 9.638 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.208 11.060 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.675 11.272 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.108 8.915 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.543 10.523 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.988 9.807 -1.523 1.00 0.00 H new ATOM 235 N LEU A 16 -4.310 15.104 -4.013 1.00 0.00 N ATOM 236 CA LEU A 16 -4.416 16.061 -5.114 1.00 0.00 C ATOM 237 C LEU A 16 -3.027 16.430 -5.639 1.00 0.00 C ATOM 238 O LEU A 16 -2.756 16.292 -6.831 1.00 0.00 O ATOM 239 CB LEU A 16 -5.158 17.320 -4.662 1.00 0.00 C ATOM 240 CG LEU A 16 -6.107 17.921 -5.702 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.322 18.472 -6.883 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.112 16.878 -6.168 1.00 0.00 C ATOM 0 H LEU A 16 -4.729 15.412 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.982 15.593 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.730 17.084 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.424 18.076 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.653 18.743 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.012 18.895 -7.613 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.640 19.248 -6.536 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.751 17.668 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.780 17.321 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.582 16.037 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.695 16.528 -5.316 1.00 0.00 H new ATOM 254 N PRO A 17 -2.112 16.871 -4.755 1.00 0.00 N ATOM 255 CA PRO A 17 -0.743 17.213 -5.152 1.00 0.00 C ATOM 256 C PRO A 17 0.057 15.964 -5.523 1.00 0.00 C ATOM 257 O PRO A 17 1.164 16.053 -6.052 1.00 0.00 O ATOM 258 CB PRO A 17 -0.161 17.873 -3.902 1.00 0.00 C ATOM 259 CG PRO A 17 -0.936 17.288 -2.775 1.00 0.00 C ATOM 260 CD PRO A 17 -2.325 17.049 -3.308 1.00 0.00 C ATOM 0 HA PRO A 17 -0.712 17.856 -6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.904 17.663 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.270 18.957 -3.938 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.484 16.357 -2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.956 17.966 -1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.781 16.167 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.985 17.891 -3.100 1.00 0.00 H new ATOM 268 N LEU A 18 -0.534 14.801 -5.253 1.00 0.00 N ATOM 269 CA LEU A 18 0.085 13.524 -5.564 1.00 0.00 C ATOM 270 C LEU A 18 -0.502 12.991 -6.860 1.00 0.00 C ATOM 271 O LEU A 18 -0.936 11.843 -6.949 1.00 0.00 O ATOM 272 CB LEU A 18 -0.134 12.523 -4.424 1.00 0.00 C ATOM 273 CG LEU A 18 0.473 11.132 -4.643 1.00 0.00 C ATOM 274 CD1 LEU A 18 1.867 11.236 -5.245 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.515 10.358 -3.333 1.00 0.00 C ATOM 0 H LEU A 18 -1.452 14.723 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 18 1.159 13.664 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.284 12.943 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.206 12.411 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.161 10.592 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.276 10.236 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.811 11.749 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.514 11.798 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.949 9.373 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.124 10.900 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.497 10.246 -2.944 1.00 0.00 H new ATOM 287 N HIS A 19 -0.515 13.859 -7.859 1.00 0.00 N ATOM 288 CA HIS A 19 -1.049 13.541 -9.181 1.00 0.00 C ATOM 289 C HIS A 19 -0.198 12.496 -9.902 1.00 0.00 C ATOM 290 O HIS A 19 -0.195 12.429 -11.132 1.00 0.00 O ATOM 291 CB HIS A 19 -1.133 14.810 -10.030 1.00 0.00 C ATOM 292 CG HIS A 19 -2.458 15.500 -9.953 1.00 0.00 C ATOM 293 ND1 HIS A 19 -3.436 15.159 -9.042 1.00 0.00 N ATOM 294 CD2 HIS A 19 -2.968 16.521 -10.682 1.00 0.00 C ATOM 295 CE1 HIS A 19 -4.488 15.939 -9.214 1.00 0.00 C ATOM 296 NE2 HIS A 19 -4.229 16.775 -10.203 1.00 0.00 N ATOM 0 H HIS A 19 -0.154 14.810 -7.779 1.00 0.00 H new ATOM 0 HA HIS A 19 -2.046 13.123 -9.041 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.354 15.502 -9.710 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.926 14.555 -11.069 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.474 17.039 -11.491 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.404 15.900 -8.643 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -4.863 17.493 -10.554 1.00 0.00 H new ATOM 305 N ARG A 20 0.505 11.674 -9.135 1.00 0.00 N ATOM 306 CA ARG A 20 1.341 10.620 -9.699 1.00 0.00 C ATOM 307 C ARG A 20 0.534 9.334 -9.838 1.00 0.00 C ATOM 308 O ARG A 20 1.034 8.237 -9.588 1.00 0.00 O ATOM 309 CB ARG A 20 2.573 10.379 -8.821 1.00 0.00 C ATOM 310 CG ARG A 20 3.201 11.656 -8.281 1.00 0.00 C ATOM 311 CD ARG A 20 3.939 12.419 -9.369 1.00 0.00 C ATOM 312 NE ARG A 20 5.108 11.688 -9.855 1.00 0.00 N ATOM 313 CZ ARG A 20 6.127 12.259 -10.494 1.00 0.00 C ATOM 314 NH1 ARG A 20 6.130 13.567 -10.720 1.00 0.00 N ATOM 315 NH2 ARG A 20 7.147 11.519 -10.907 1.00 0.00 N ATOM 0 H ARG A 20 0.514 11.716 -8.116 1.00 0.00 H new ATOM 0 HA ARG A 20 1.680 10.936 -10.686 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.292 9.741 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.319 9.835 -9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.425 12.291 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.893 11.410 -7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.261 12.612 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.253 13.389 -8.982 1.00 0.00 H new ATOM 0 HE ARG A 20 5.145 10.681 -9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.349 14.141 -10.404 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.914 13.998 -11.210 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.150 10.514 -10.735 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.928 11.955 -11.397 1.00 0.00 H new ATOM 329 N ARG A 21 -0.725 9.491 -10.233 1.00 0.00 N ATOM 330 CA ARG A 21 -1.636 8.364 -10.404 1.00 0.00 C ATOM 331 C ARG A 21 -1.202 7.407 -11.524 1.00 0.00 C ATOM 332 O ARG A 21 -1.515 6.217 -11.466 1.00 0.00 O ATOM 333 CB ARG A 21 -3.061 8.870 -10.664 1.00 0.00 C ATOM 334 CG ARG A 21 -3.267 9.483 -12.041 1.00 0.00 C ATOM 335 CD ARG A 21 -3.184 11.001 -11.994 1.00 0.00 C ATOM 336 NE ARG A 21 -3.995 11.628 -13.035 1.00 0.00 N ATOM 337 CZ ARG A 21 -3.675 11.628 -14.327 1.00 0.00 C ATOM 338 NH1 ARG A 21 -2.568 11.026 -14.743 1.00 0.00 N ATOM 339 NH2 ARG A 21 -4.464 12.231 -15.206 1.00 0.00 N ATOM 0 H ARG A 21 -1.141 10.398 -10.443 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.610 7.795 -9.475 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.757 8.040 -10.541 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.314 9.613 -9.907 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.514 9.098 -12.728 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.239 9.183 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.515 11.352 -11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.145 11.311 -12.109 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.858 12.094 -12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.958 10.560 -14.072 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.328 11.029 -15.734 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.316 12.695 -14.892 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.218 12.231 -16.196 1.00 0.00 H new ATOM 353 N PRO A 22 -0.484 7.884 -12.565 1.00 0.00 N ATOM 354 CA PRO A 22 -0.046 7.015 -13.666 1.00 0.00 C ATOM 355 C PRO A 22 0.733 5.798 -13.174 1.00 0.00 C ATOM 356 O PRO A 22 0.864 4.803 -13.886 1.00 0.00 O ATOM 357 CB PRO A 22 0.856 7.927 -14.504 1.00 0.00 C ATOM 358 CG PRO A 22 0.365 9.301 -14.212 1.00 0.00 C ATOM 359 CD PRO A 22 -0.043 9.280 -12.766 1.00 0.00 C ATOM 0 HA PRO A 22 -0.891 6.604 -14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.904 7.812 -14.228 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.779 7.695 -15.566 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.144 10.043 -14.390 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.476 9.562 -14.854 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.787 9.540 -12.109 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.845 9.990 -12.563 1.00 0.00 H new ATOM 367 N ASN A 23 1.253 5.887 -11.953 1.00 0.00 N ATOM 368 CA ASN A 23 2.023 4.798 -11.364 1.00 0.00 C ATOM 369 C ASN A 23 1.613 4.558 -9.911 1.00 0.00 C ATOM 370 O ASN A 23 2.465 4.329 -9.062 1.00 0.00 O ATOM 371 CB ASN A 23 3.513 5.129 -11.419 1.00 0.00 C ATOM 372 CG ASN A 23 3.806 6.518 -10.908 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.532 6.843 -9.754 1.00 0.00 O ATOM 374 ND2 ASN A 23 4.364 7.349 -11.773 1.00 0.00 N ATOM 0 H ASN A 23 1.154 6.705 -11.352 1.00 0.00 H new ATOM 0 HA ASN A 23 1.822 3.893 -11.937 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.068 4.401 -10.827 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.866 5.039 -12.446 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.585 8.304 -11.493 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.573 7.034 -12.720 1.00 0.00 H new ATOM 381 N ILE A 24 0.316 4.643 -9.612 1.00 0.00 N ATOM 382 CA ILE A 24 -0.158 4.465 -8.235 1.00 0.00 C ATOM 383 C ILE A 24 -0.836 3.114 -7.989 1.00 0.00 C ATOM 384 O ILE A 24 -1.616 2.633 -8.811 1.00 0.00 O ATOM 385 CB ILE A 24 -1.142 5.588 -7.842 1.00 0.00 C ATOM 386 CG1 ILE A 24 -1.454 5.523 -6.345 1.00 0.00 C ATOM 387 CG2 ILE A 24 -2.422 5.489 -8.659 1.00 0.00 C ATOM 388 CD1 ILE A 24 -2.411 6.599 -5.879 1.00 0.00 C ATOM 0 H ILE A 24 -0.419 4.832 -10.294 1.00 0.00 H new ATOM 0 HA ILE A 24 0.738 4.505 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.673 6.548 -8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.878 4.546 -6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.523 5.608 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.103 6.289 -8.367 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.185 5.582 -9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.896 4.525 -8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.586 6.491 -4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.981 7.580 -6.079 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.356 6.501 -6.413 1.00 0.00 H new ATOM 400 N ALA A 25 -0.546 2.531 -6.822 1.00 0.00 N ATOM 401 CA ALA A 25 -1.130 1.255 -6.409 1.00 0.00 C ATOM 402 C ALA A 25 -1.072 1.124 -4.888 1.00 0.00 C ATOM 403 O ALA A 25 -0.029 1.351 -4.290 1.00 0.00 O ATOM 404 CB ALA A 25 -0.415 0.090 -7.076 1.00 0.00 C ATOM 0 H ALA A 25 0.099 2.930 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.173 1.231 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.867 -0.848 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.503 0.181 -8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.638 0.100 -6.795 1.00 0.00 H new ATOM 410 N ILE A 26 -2.196 0.786 -4.263 1.00 0.00 N ATOM 411 CA ILE A 26 -2.251 0.661 -2.805 1.00 0.00 C ATOM 412 C ILE A 26 -2.272 -0.803 -2.342 1.00 0.00 C ATOM 413 O ILE A 26 -3.132 -1.582 -2.751 1.00 0.00 O ATOM 414 CB ILE A 26 -3.491 1.392 -2.250 1.00 0.00 C ATOM 415 CG1 ILE A 26 -3.415 2.884 -2.578 1.00 0.00 C ATOM 416 CG2 ILE A 26 -3.636 1.183 -0.747 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.768 3.549 -2.688 1.00 0.00 C ATOM 0 H ILE A 26 -3.078 0.594 -4.738 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.342 1.120 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.373 0.968 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.833 3.388 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.878 3.014 -3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.520 1.712 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.740 0.119 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.752 1.569 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.636 4.605 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.345 3.071 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.300 3.451 -1.742 1.00 0.00 H new ATOM 429 N ILE A 27 -1.330 -1.158 -1.460 1.00 0.00 N ATOM 430 CA ILE A 27 -1.259 -2.513 -0.918 1.00 0.00 C ATOM 431 C ILE A 27 -1.960 -2.615 0.435 1.00 0.00 C ATOM 432 O ILE A 27 -1.854 -1.721 1.272 1.00 0.00 O ATOM 433 CB ILE A 27 0.189 -3.022 -0.760 1.00 0.00 C ATOM 434 CG1 ILE A 27 0.977 -2.124 0.200 1.00 0.00 C ATOM 435 CG2 ILE A 27 0.875 -3.120 -2.116 1.00 0.00 C ATOM 436 CD1 ILE A 27 2.431 -2.519 0.343 1.00 0.00 C ATOM 0 H ILE A 27 -0.610 -0.526 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.769 -3.141 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 27 0.158 -4.023 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.922 -1.094 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.503 -2.152 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.895 -3.481 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.325 -3.813 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.897 -2.136 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.926 -1.840 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.495 -3.538 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.920 -2.464 -0.629 1.00 0.00 H new ATOM 448 N ASP A 28 -2.647 -3.730 0.649 1.00 0.00 N ATOM 449 CA ASP A 28 -3.336 -3.975 1.908 1.00 0.00 C ATOM 450 C ASP A 28 -2.862 -5.300 2.502 1.00 0.00 C ATOM 451 O ASP A 28 -3.057 -6.356 1.908 1.00 0.00 O ATOM 452 CB ASP A 28 -4.852 -4.003 1.698 1.00 0.00 C ATOM 453 CG ASP A 28 -5.380 -2.726 1.072 1.00 0.00 C ATOM 454 OD1 ASP A 28 -4.589 -2.009 0.425 1.00 0.00 O ATOM 455 OD2 ASP A 28 -6.587 -2.443 1.230 1.00 0.00 O ATOM 0 H ASP A 28 -2.742 -4.480 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.103 -3.166 2.600 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.111 -4.849 1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.345 -4.163 2.657 1.00 0.00 H new ATOM 460 N VAL A 29 -2.223 -5.236 3.666 1.00 0.00 N ATOM 461 CA VAL A 29 -1.708 -6.436 4.320 1.00 0.00 C ATOM 462 C VAL A 29 -2.342 -6.657 5.690 1.00 0.00 C ATOM 463 O VAL A 29 -2.562 -5.709 6.442 1.00 0.00 O ATOM 464 CB VAL A 29 -0.178 -6.366 4.494 1.00 0.00 C ATOM 465 CG1 VAL A 29 0.511 -6.267 3.144 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.212 -5.195 5.384 1.00 0.00 C ATOM 0 H VAL A 29 -2.049 -4.369 4.175 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.967 -7.271 3.669 1.00 0.00 H new ATOM 0 HB VAL A 29 0.151 -7.285 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.590 -6.219 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.264 -7.143 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.174 -5.368 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.296 -5.166 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.133 -4.265 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.248 -5.315 6.365 1.00 0.00 H new ATOM 476 N ARG A 30 -2.615 -7.921 6.014 1.00 0.00 N ATOM 477 CA ARG A 30 -3.204 -8.271 7.307 1.00 0.00 C ATOM 478 C ARG A 30 -3.537 -9.770 7.376 1.00 0.00 C ATOM 479 O ARG A 30 -3.488 -10.372 8.449 1.00 0.00 O ATOM 480 CB ARG A 30 -4.431 -7.383 7.598 1.00 0.00 C ATOM 481 CG ARG A 30 -5.747 -8.124 7.774 1.00 0.00 C ATOM 482 CD ARG A 30 -6.398 -8.417 6.436 1.00 0.00 C ATOM 483 NE ARG A 30 -6.406 -7.250 5.557 1.00 0.00 N ATOM 484 CZ ARG A 30 -5.964 -7.258 4.298 1.00 0.00 C ATOM 485 NH1 ARG A 30 -5.476 -8.369 3.758 1.00 0.00 N ATOM 486 NH2 ARG A 30 -6.012 -6.148 3.577 1.00 0.00 N ATOM 0 H ARG A 30 -2.439 -8.717 5.401 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.470 -8.078 8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.235 -6.807 8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.542 -6.668 6.782 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.572 -9.058 8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.423 -7.528 8.387 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.867 -9.234 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.422 -8.754 6.598 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.773 -6.374 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.436 -9.228 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.141 -8.363 2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.386 -5.291 3.985 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.675 -6.150 2.614 1.00 0.00 H new ATOM 500 N ASP A 31 -3.846 -10.371 6.223 1.00 0.00 N ATOM 501 CA ASP A 31 -4.151 -11.809 6.139 1.00 0.00 C ATOM 502 C ASP A 31 -5.579 -12.143 6.575 1.00 0.00 C ATOM 503 O ASP A 31 -6.306 -12.827 5.855 1.00 0.00 O ATOM 504 CB ASP A 31 -3.157 -12.621 6.977 1.00 0.00 C ATOM 505 CG ASP A 31 -2.478 -13.712 6.173 1.00 0.00 C ATOM 506 OD1 ASP A 31 -3.189 -14.462 5.471 1.00 0.00 O ATOM 507 OD2 ASP A 31 -1.236 -13.819 6.247 1.00 0.00 O ATOM 0 H ASP A 31 -3.893 -9.884 5.328 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.059 -12.080 5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.401 -11.952 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.679 -13.068 7.823 1.00 0.00 H new ATOM 512 N GLU A 32 -5.974 -11.683 7.760 1.00 0.00 N ATOM 513 CA GLU A 32 -7.313 -11.964 8.284 1.00 0.00 C ATOM 514 C GLU A 32 -8.417 -11.615 7.277 1.00 0.00 C ATOM 515 O GLU A 32 -9.572 -11.998 7.461 1.00 0.00 O ATOM 516 CB GLU A 32 -7.543 -11.211 9.599 1.00 0.00 C ATOM 517 CG GLU A 32 -7.688 -9.706 9.435 1.00 0.00 C ATOM 518 CD GLU A 32 -8.847 -9.142 10.232 1.00 0.00 C ATOM 519 OE1 GLU A 32 -9.209 -9.747 11.264 1.00 0.00 O ATOM 520 OE2 GLU A 32 -9.394 -8.095 9.826 1.00 0.00 O ATOM 0 H GLU A 32 -5.390 -11.116 8.375 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.365 -13.037 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.441 -11.602 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.710 -11.414 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.765 -9.219 9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.829 -9.471 8.380 1.00 0.00 H new ATOM 527 N GLU A 33 -8.059 -10.896 6.218 1.00 0.00 N ATOM 528 CA GLU A 33 -9.022 -10.507 5.191 1.00 0.00 C ATOM 529 C GLU A 33 -9.215 -11.617 4.162 1.00 0.00 C ATOM 530 O GLU A 33 -10.140 -11.567 3.356 1.00 0.00 O ATOM 531 CB GLU A 33 -8.573 -9.220 4.491 1.00 0.00 C ATOM 532 CG GLU A 33 -9.428 -8.844 3.289 1.00 0.00 C ATOM 533 CD GLU A 33 -9.519 -7.345 3.081 1.00 0.00 C ATOM 534 OE1 GLU A 33 -8.500 -6.654 3.288 1.00 0.00 O ATOM 535 OE2 GLU A 33 -10.610 -6.862 2.711 1.00 0.00 O ATOM 0 H GLU A 33 -7.108 -10.570 6.047 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.977 -10.329 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.593 -8.401 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.539 -9.335 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.012 -9.306 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.431 -9.250 3.421 1.00 0.00 H new ATOM 542 N ARG A 34 -8.341 -12.613 4.185 1.00 0.00 N ATOM 543 CA ARG A 34 -8.433 -13.716 3.247 1.00 0.00 C ATOM 544 C ARG A 34 -9.698 -14.529 3.486 1.00 0.00 C ATOM 545 O ARG A 34 -10.126 -15.290 2.619 1.00 0.00 O ATOM 546 CB ARG A 34 -7.198 -14.616 3.360 1.00 0.00 C ATOM 547 CG ARG A 34 -6.430 -14.759 2.054 1.00 0.00 C ATOM 548 CD ARG A 34 -4.964 -14.383 2.220 1.00 0.00 C ATOM 549 NE ARG A 34 -4.405 -13.806 1.000 1.00 0.00 N ATOM 550 CZ ARG A 34 -4.033 -14.525 -0.056 1.00 0.00 C ATOM 551 NH1 ARG A 34 -4.161 -15.845 -0.047 1.00 0.00 N ATOM 552 NH2 ARG A 34 -3.531 -13.922 -1.125 1.00 0.00 N ATOM 0 H ARG A 34 -7.563 -12.678 4.842 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.477 -13.301 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.532 -14.211 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.508 -15.604 3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.504 -15.787 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.885 -14.125 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.863 -13.669 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.392 -15.268 2.497 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.293 -12.793 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.546 -16.314 0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.874 -16.391 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.430 -12.907 -1.138 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.246 -14.473 -1.935 1.00 0.00 H new ATOM 566 N ASN A 35 -10.298 -14.372 4.667 1.00 0.00 N ATOM 567 CA ASN A 35 -11.506 -15.110 4.985 1.00 0.00 C ATOM 568 C ASN A 35 -12.748 -14.398 4.458 1.00 0.00 C ATOM 569 O ASN A 35 -13.517 -14.965 3.683 1.00 0.00 O ATOM 570 CB ASN A 35 -11.621 -15.318 6.495 1.00 0.00 C ATOM 571 CG ASN A 35 -10.785 -16.484 6.983 1.00 0.00 C ATOM 572 OD1 ASN A 35 -9.593 -16.575 6.689 1.00 0.00 O ATOM 573 ND2 ASN A 35 -11.408 -17.385 7.734 1.00 0.00 N ATOM 0 H ASN A 35 -9.968 -13.749 5.404 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.440 -16.082 4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.307 -14.409 7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.665 -15.488 6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.897 -18.192 8.092 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.398 -17.270 7.953 1.00 0.00 H new ATOM 580 N TYR A 36 -12.932 -13.149 4.873 1.00 0.00 N ATOM 581 CA TYR A 36 -14.075 -12.363 4.426 1.00 0.00 C ATOM 582 C TYR A 36 -13.775 -11.678 3.098 1.00 0.00 C ATOM 583 O TYR A 36 -14.587 -11.708 2.173 1.00 0.00 O ATOM 584 CB TYR A 36 -14.492 -11.343 5.491 1.00 0.00 C ATOM 585 CG TYR A 36 -13.369 -10.479 6.027 1.00 0.00 C ATOM 586 CD1 TYR A 36 -12.568 -10.918 7.075 1.00 0.00 C ATOM 587 CD2 TYR A 36 -13.124 -9.219 5.499 1.00 0.00 C ATOM 588 CE1 TYR A 36 -11.552 -10.126 7.577 1.00 0.00 C ATOM 589 CE2 TYR A 36 -12.111 -8.421 5.995 1.00 0.00 C ATOM 590 CZ TYR A 36 -11.329 -8.878 7.033 1.00 0.00 C ATOM 591 OH TYR A 36 -10.319 -8.086 7.528 1.00 0.00 O ATOM 0 H TYR A 36 -12.307 -12.662 5.515 1.00 0.00 H new ATOM 0 HA TYR A 36 -14.913 -13.043 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -15.260 -10.694 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -14.948 -11.877 6.324 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -12.742 -11.894 7.504 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.736 -8.856 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.937 -10.482 8.390 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.933 -7.444 5.571 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.300 -8.153 8.506 1.00 0.00 H new ATOM 601 N ASP A 37 -12.593 -11.068 3.013 1.00 0.00 N ATOM 602 CA ASP A 37 -12.143 -10.375 1.802 1.00 0.00 C ATOM 603 C ASP A 37 -12.679 -8.947 1.722 1.00 0.00 C ATOM 604 O ASP A 37 -12.091 -8.101 1.047 1.00 0.00 O ATOM 605 CB ASP A 37 -12.550 -11.151 0.545 1.00 0.00 C ATOM 606 CG ASP A 37 -11.494 -11.085 -0.542 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.125 -9.963 -0.944 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.037 -12.158 -0.990 1.00 0.00 O ATOM 0 H ASP A 37 -11.920 -11.039 3.779 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.056 -10.323 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.733 -12.193 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -13.488 -10.750 0.161 1.00 0.00 H new ATOM 613 N GLY A 38 -13.796 -8.677 2.395 1.00 0.00 N ATOM 614 CA GLY A 38 -14.375 -7.341 2.357 1.00 0.00 C ATOM 615 C GLY A 38 -14.462 -6.813 0.938 1.00 0.00 C ATOM 616 O GLY A 38 -14.307 -7.580 -0.013 1.00 0.00 O ATOM 0 H GLY A 38 -14.308 -9.353 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.371 -7.362 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.771 -6.664 2.962 1.00 0.00 H new ATOM 620 N HIS A 39 -14.698 -5.515 0.774 1.00 0.00 N ATOM 621 CA HIS A 39 -14.781 -4.945 -0.558 1.00 0.00 C ATOM 622 C HIS A 39 -14.060 -3.610 -0.611 1.00 0.00 C ATOM 623 O HIS A 39 -14.659 -2.564 -0.413 1.00 0.00 O ATOM 624 CB HIS A 39 -16.236 -4.772 -0.982 1.00 0.00 C ATOM 625 CG HIS A 39 -17.170 -5.766 -0.359 1.00 0.00 C ATOM 626 ND1 HIS A 39 -17.719 -6.793 -1.088 1.00 0.00 N ATOM 627 CD2 HIS A 39 -17.612 -5.848 0.920 1.00 0.00 C ATOM 628 CE1 HIS A 39 -18.472 -7.475 -0.244 1.00 0.00 C ATOM 629 NE2 HIS A 39 -18.440 -6.939 0.984 1.00 0.00 N ATOM 0 H HIS A 39 -14.833 -4.851 1.536 1.00 0.00 H new ATOM 0 HA HIS A 39 -14.297 -5.633 -1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.564 -3.766 -0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.301 -4.857 -2.067 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -17.575 -6.989 -2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -17.360 -5.182 1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -19.041 -8.353 -0.510 1.00 0.00 H new ATOM 637 N ILE A 40 -12.765 -3.668 -0.879 1.00 0.00 N ATOM 638 CA ILE A 40 -11.935 -2.477 -0.963 1.00 0.00 C ATOM 639 C ILE A 40 -10.563 -2.852 -1.508 1.00 0.00 C ATOM 640 O ILE A 40 -9.546 -2.702 -0.832 1.00 0.00 O ATOM 641 CB ILE A 40 -11.786 -1.817 0.422 1.00 0.00 C ATOM 642 CG1 ILE A 40 -11.099 -0.459 0.293 1.00 0.00 C ATOM 643 CG2 ILE A 40 -11.018 -2.729 1.373 1.00 0.00 C ATOM 644 CD1 ILE A 40 -11.992 0.605 -0.306 1.00 0.00 C ATOM 0 H ILE A 40 -12.261 -4.539 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 40 -12.413 -1.763 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 40 -12.780 -1.658 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -10.766 -0.132 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -10.208 -0.567 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -10.924 -2.245 2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -11.555 -3.671 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.025 -2.925 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -11.445 1.545 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -12.305 0.298 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.871 0.739 0.324 1.00 0.00 H new ATOM 656 N ALA A 41 -10.545 -3.371 -2.731 1.00 0.00 N ATOM 657 CA ALA A 41 -9.294 -3.799 -3.343 1.00 0.00 C ATOM 658 C ALA A 41 -9.217 -3.493 -4.835 1.00 0.00 C ATOM 659 O ALA A 41 -10.004 -4.006 -5.631 1.00 0.00 O ATOM 660 CB ALA A 41 -9.095 -5.290 -3.107 1.00 0.00 C ATOM 0 H ALA A 41 -11.373 -3.504 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.496 -3.228 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.159 -5.609 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.060 -5.487 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.923 -5.842 -3.551 1.00 0.00 H new ATOM 666 N GLY A 42 -8.240 -2.679 -5.211 1.00 0.00 N ATOM 667 CA GLY A 42 -8.028 -2.335 -6.598 1.00 0.00 C ATOM 668 C GLY A 42 -6.600 -2.604 -7.033 1.00 0.00 C ATOM 669 O GLY A 42 -6.367 -3.074 -8.147 1.00 0.00 O ATOM 0 H GLY A 42 -7.581 -2.245 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.713 -2.908 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.262 -1.282 -6.751 1.00 0.00 H new ATOM 673 N SER A 43 -5.640 -2.320 -6.153 1.00 0.00 N ATOM 674 CA SER A 43 -4.239 -2.552 -6.466 1.00 0.00 C ATOM 675 C SER A 43 -3.809 -3.950 -6.014 1.00 0.00 C ATOM 676 O SER A 43 -4.057 -4.930 -6.716 1.00 0.00 O ATOM 677 CB SER A 43 -3.360 -1.476 -5.824 1.00 0.00 C ATOM 678 OG SER A 43 -2.017 -1.911 -5.711 1.00 0.00 O ATOM 0 H SER A 43 -5.810 -1.932 -5.225 1.00 0.00 H new ATOM 0 HA SER A 43 -4.113 -2.493 -7.547 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.401 -0.565 -6.422 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.749 -1.227 -4.837 1.00 0.00 H new ATOM 0 HG SER A 43 -1.715 -1.803 -4.785 1.00 0.00 H new ATOM 684 N LEU A 44 -3.161 -4.051 -4.849 1.00 0.00 N ATOM 685 CA LEU A 44 -2.712 -5.349 -4.354 1.00 0.00 C ATOM 686 C LEU A 44 -3.174 -5.616 -2.921 1.00 0.00 C ATOM 687 O LEU A 44 -2.976 -4.795 -2.029 1.00 0.00 O ATOM 688 CB LEU A 44 -1.187 -5.443 -4.430 1.00 0.00 C ATOM 689 CG LEU A 44 -0.591 -5.208 -5.819 1.00 0.00 C ATOM 690 CD1 LEU A 44 0.928 -5.285 -5.769 1.00 0.00 C ATOM 691 CD2 LEU A 44 -1.144 -6.218 -6.814 1.00 0.00 C ATOM 0 H LEU A 44 -2.940 -3.261 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.163 -6.109 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.759 -4.716 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.882 -6.430 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.873 -4.208 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.334 -5.115 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.309 -4.524 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.231 -6.271 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.709 -6.036 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.892 -7.227 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.228 -6.116 -6.872 1.00 0.00 H new ATOM 703 N HIS A 45 -3.762 -6.789 -2.705 1.00 0.00 N ATOM 704 CA HIS A 45 -4.215 -7.189 -1.376 1.00 0.00 C ATOM 705 C HIS A 45 -3.562 -8.507 -0.992 1.00 0.00 C ATOM 706 O HIS A 45 -3.304 -9.350 -1.851 1.00 0.00 O ATOM 707 CB HIS A 45 -5.735 -7.320 -1.320 1.00 0.00 C ATOM 708 CG HIS A 45 -6.428 -6.037 -0.983 1.00 0.00 C ATOM 709 ND1 HIS A 45 -7.473 -5.955 -0.088 1.00 0.00 N ATOM 710 CD2 HIS A 45 -6.214 -4.774 -1.423 1.00 0.00 C ATOM 711 CE1 HIS A 45 -7.873 -4.699 0.008 1.00 0.00 C ATOM 712 NE2 HIS A 45 -7.124 -3.962 -0.791 1.00 0.00 N ATOM 0 H HIS A 45 -3.936 -7.480 -3.434 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.923 -6.414 -0.667 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.098 -7.678 -2.283 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.001 -8.074 -0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.467 -4.463 -2.138 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.676 -4.337 0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.207 -2.953 -0.918 1.00 0.00 H new ATOM 721 N TYR A 46 -3.276 -8.673 0.295 1.00 0.00 N ATOM 722 CA TYR A 46 -2.620 -9.885 0.786 1.00 0.00 C ATOM 723 C TYR A 46 -2.205 -9.742 2.260 1.00 0.00 C ATOM 724 O TYR A 46 -2.892 -9.093 3.048 1.00 0.00 O ATOM 725 CB TYR A 46 -1.386 -10.185 -0.078 1.00 0.00 C ATOM 726 CG TYR A 46 -0.261 -9.182 0.096 1.00 0.00 C ATOM 727 CD1 TYR A 46 -0.512 -7.811 0.148 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.057 -9.607 0.202 1.00 0.00 C ATOM 729 CE1 TYR A 46 0.517 -6.903 0.298 1.00 0.00 C ATOM 730 CE2 TYR A 46 2.089 -8.702 0.356 1.00 0.00 C ATOM 731 CZ TYR A 46 1.815 -7.353 0.403 1.00 0.00 C ATOM 732 OH TYR A 46 2.842 -6.450 0.553 1.00 0.00 O ATOM 0 H TYR A 46 -3.487 -7.986 1.018 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.330 -10.710 0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.015 -11.180 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -1.684 -10.205 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.528 -7.454 0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.279 -10.663 0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.305 -5.844 0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.108 -9.051 0.439 1.00 0.00 H new ATOM 0 HH TYR A 46 3.694 -6.931 0.613 1.00 0.00 H new ATOM 742 N ALA A 47 -1.073 -10.358 2.614 1.00 0.00 N ATOM 743 CA ALA A 47 -0.547 -10.311 3.971 1.00 0.00 C ATOM 744 C ALA A 47 0.965 -10.241 3.953 1.00 0.00 C ATOM 745 O ALA A 47 1.570 -9.238 4.332 1.00 0.00 O ATOM 746 CB ALA A 47 -0.960 -11.549 4.750 1.00 0.00 C ATOM 0 H ALA A 47 -0.501 -10.900 1.966 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.954 -9.421 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.557 -11.494 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.048 -11.604 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.572 -12.438 4.253 1.00 0.00 H new ATOM 752 N SER A 48 1.563 -11.346 3.527 1.00 0.00 N ATOM 753 CA SER A 48 3.007 -11.479 3.468 1.00 0.00 C ATOM 754 C SER A 48 3.396 -12.916 3.206 1.00 0.00 C ATOM 755 O SER A 48 4.435 -13.195 2.607 1.00 0.00 O ATOM 756 CB SER A 48 3.630 -10.974 4.771 1.00 0.00 C ATOM 757 OG SER A 48 4.113 -9.651 4.622 1.00 0.00 O ATOM 0 H SER A 48 1.057 -12.174 3.213 1.00 0.00 H new ATOM 0 HA SER A 48 3.385 -10.873 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.889 -11.007 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.447 -11.632 5.067 1.00 0.00 H new ATOM 0 HG SER A 48 3.371 -9.057 4.385 1.00 0.00 H new ATOM 763 N GLY A 49 2.547 -13.816 3.664 1.00 0.00 N ATOM 764 CA GLY A 49 2.777 -15.247 3.497 1.00 0.00 C ATOM 765 C GLY A 49 4.242 -15.606 3.631 1.00 0.00 C ATOM 766 O GLY A 49 4.722 -16.552 3.004 1.00 0.00 O ATOM 0 H GLY A 49 1.685 -13.584 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.200 -15.796 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.415 -15.560 2.518 1.00 0.00 H new ATOM 770 N SER A 50 4.949 -14.820 4.443 1.00 0.00 N ATOM 771 CA SER A 50 6.375 -14.994 4.678 1.00 0.00 C ATOM 772 C SER A 50 6.994 -13.662 5.091 1.00 0.00 C ATOM 773 O SER A 50 8.016 -13.637 5.775 1.00 0.00 O ATOM 774 CB SER A 50 7.088 -15.525 3.430 1.00 0.00 C ATOM 775 OG SER A 50 7.141 -16.942 3.437 1.00 0.00 O ATOM 0 H SER A 50 4.541 -14.040 4.958 1.00 0.00 H new ATOM 0 HA SER A 50 6.498 -15.726 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.567 -15.182 2.536 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.099 -15.120 3.385 1.00 0.00 H new ATOM 0 HG SER A 50 6.317 -17.302 3.047 1.00 0.00 H new ATOM 781 N PHE A 51 6.371 -12.550 4.662 1.00 0.00 N ATOM 782 CA PHE A 51 6.862 -11.213 4.981 1.00 0.00 C ATOM 783 C PHE A 51 8.082 -10.871 4.145 1.00 0.00 C ATOM 784 O PHE A 51 8.389 -9.700 3.934 1.00 0.00 O ATOM 785 CB PHE A 51 7.207 -11.079 6.474 1.00 0.00 C ATOM 786 CG PHE A 51 6.026 -11.157 7.407 1.00 0.00 C ATOM 787 CD1 PHE A 51 5.082 -12.168 7.291 1.00 0.00 C ATOM 788 CD2 PHE A 51 5.871 -10.218 8.414 1.00 0.00 C ATOM 789 CE1 PHE A 51 4.008 -12.235 8.159 1.00 0.00 C ATOM 790 CE2 PHE A 51 4.801 -10.283 9.284 1.00 0.00 C ATOM 791 CZ PHE A 51 3.867 -11.292 9.156 1.00 0.00 C ATOM 0 H PHE A 51 5.525 -12.559 4.092 1.00 0.00 H new ATOM 0 HA PHE A 51 6.060 -10.513 4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.915 -11.864 6.740 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.713 -10.127 6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.188 -12.911 6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.597 -9.425 8.520 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.279 -13.026 8.057 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.694 -9.545 10.065 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.028 -11.343 9.835 1.00 0.00 H new ATOM 801 N ASP A 52 8.767 -11.895 3.663 1.00 0.00 N ATOM 802 CA ASP A 52 9.944 -11.705 2.845 1.00 0.00 C ATOM 803 C ASP A 52 9.819 -12.493 1.552 1.00 0.00 C ATOM 804 O ASP A 52 10.814 -12.790 0.895 1.00 0.00 O ATOM 805 CB ASP A 52 11.186 -12.155 3.610 1.00 0.00 C ATOM 806 CG ASP A 52 12.361 -11.234 3.386 1.00 0.00 C ATOM 807 OD1 ASP A 52 12.130 -10.021 3.241 1.00 0.00 O ATOM 808 OD2 ASP A 52 13.508 -11.727 3.352 1.00 0.00 O ATOM 0 H ASP A 52 8.522 -12.871 3.828 1.00 0.00 H new ATOM 0 HA ASP A 52 10.037 -10.646 2.603 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.958 -12.198 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.455 -13.165 3.301 1.00 0.00 H new ATOM 813 N ASP A 53 8.587 -12.830 1.196 1.00 0.00 N ATOM 814 CA ASP A 53 8.326 -13.579 -0.016 1.00 0.00 C ATOM 815 C ASP A 53 7.425 -12.789 -0.960 1.00 0.00 C ATOM 816 O ASP A 53 7.185 -13.214 -2.091 1.00 0.00 O ATOM 817 CB ASP A 53 7.683 -14.927 0.317 1.00 0.00 C ATOM 818 CG ASP A 53 7.820 -15.927 -0.813 1.00 0.00 C ATOM 819 OD1 ASP A 53 8.905 -15.983 -1.429 1.00 0.00 O ATOM 820 OD2 ASP A 53 6.843 -16.657 -1.082 1.00 0.00 O ATOM 0 H ASP A 53 7.753 -12.594 1.734 1.00 0.00 H new ATOM 0 HA ASP A 53 9.279 -13.756 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.144 -15.334 1.217 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.627 -14.777 0.540 1.00 0.00 H new ATOM 825 N LYS A 54 6.915 -11.644 -0.500 1.00 0.00 N ATOM 826 CA LYS A 54 6.033 -10.836 -1.340 1.00 0.00 C ATOM 827 C LYS A 54 6.731 -9.582 -1.870 1.00 0.00 C ATOM 828 O LYS A 54 6.309 -9.012 -2.876 1.00 0.00 O ATOM 829 CB LYS A 54 4.773 -10.452 -0.569 1.00 0.00 C ATOM 830 CG LYS A 54 3.997 -11.648 -0.040 1.00 0.00 C ATOM 831 CD LYS A 54 3.635 -12.624 -1.152 1.00 0.00 C ATOM 832 CE LYS A 54 2.513 -12.091 -2.029 1.00 0.00 C ATOM 833 NZ LYS A 54 2.974 -10.993 -2.923 1.00 0.00 N ATOM 0 H LYS A 54 7.093 -11.263 0.429 1.00 0.00 H new ATOM 0 HA LYS A 54 5.758 -11.445 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.050 -9.810 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.123 -9.866 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.592 -12.162 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.087 -11.303 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.515 -12.818 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.334 -13.576 -0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.108 -12.903 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.702 -11.728 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.471 -11.051 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.776 -10.075 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.997 -11.085 -3.087 1.00 0.00 H new ATOM 847 N ILE A 55 7.796 -9.155 -1.200 1.00 0.00 N ATOM 848 CA ILE A 55 8.525 -7.968 -1.635 1.00 0.00 C ATOM 849 C ILE A 55 9.562 -8.311 -2.716 1.00 0.00 C ATOM 850 O ILE A 55 10.198 -7.418 -3.274 1.00 0.00 O ATOM 851 CB ILE A 55 9.196 -7.238 -0.449 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.209 -7.097 0.710 1.00 0.00 C ATOM 853 CG2 ILE A 55 9.717 -5.882 -0.876 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.373 -8.158 1.772 1.00 0.00 C ATOM 0 H ILE A 55 8.170 -9.605 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 55 7.792 -7.289 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 55 10.045 -7.833 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.334 -6.115 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.193 -7.140 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.185 -5.387 -0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.452 -6.008 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.890 -5.273 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.641 -7.997 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.219 -9.142 1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.378 -8.102 2.190 1.00 0.00 H new ATOM 866 N SER A 56 9.676 -9.603 -3.058 1.00 0.00 N ATOM 867 CA SER A 56 10.576 -10.040 -4.136 1.00 0.00 C ATOM 868 C SER A 56 9.815 -9.910 -5.417 1.00 0.00 C ATOM 869 O SER A 56 10.355 -9.657 -6.489 1.00 0.00 O ATOM 870 CB SER A 56 11.049 -11.486 -3.996 1.00 0.00 C ATOM 871 OG SER A 56 10.077 -12.296 -3.360 1.00 0.00 O ATOM 0 H SER A 56 9.160 -10.359 -2.607 1.00 0.00 H new ATOM 0 HA SER A 56 11.471 -9.419 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.273 -11.893 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.976 -11.512 -3.423 1.00 0.00 H new ATOM 0 HG SER A 56 10.392 -12.544 -2.466 1.00 0.00 H new ATOM 877 N HIS A 57 8.533 -10.066 -5.231 1.00 0.00 N ATOM 878 CA HIS A 57 7.549 -9.951 -6.263 1.00 0.00 C ATOM 879 C HIS A 57 7.410 -8.471 -6.590 1.00 0.00 C ATOM 880 O HIS A 57 7.372 -8.061 -7.752 1.00 0.00 O ATOM 881 CB HIS A 57 6.254 -10.541 -5.721 1.00 0.00 C ATOM 882 CG HIS A 57 5.093 -10.447 -6.662 1.00 0.00 C ATOM 883 ND1 HIS A 57 4.259 -9.349 -6.721 1.00 0.00 N ATOM 884 CD2 HIS A 57 4.626 -11.322 -7.584 1.00 0.00 C ATOM 885 CE1 HIS A 57 3.329 -9.554 -7.637 1.00 0.00 C ATOM 886 NE2 HIS A 57 3.529 -10.743 -8.175 1.00 0.00 N ATOM 0 H HIS A 57 8.133 -10.285 -4.319 1.00 0.00 H new ATOM 0 HA HIS A 57 7.817 -10.484 -7.175 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.422 -11.589 -5.473 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.997 -10.031 -4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.039 -12.294 -7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.539 -8.866 -7.901 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.961 -11.164 -8.910 1.00 0.00 H new ATOM 895 N LEU A 58 7.427 -7.673 -5.522 1.00 0.00 N ATOM 896 CA LEU A 58 7.389 -6.232 -5.653 1.00 0.00 C ATOM 897 C LEU A 58 8.736 -5.820 -6.203 1.00 0.00 C ATOM 898 O LEU A 58 8.847 -4.911 -7.027 1.00 0.00 O ATOM 899 CB LEU A 58 7.124 -5.559 -4.304 1.00 0.00 C ATOM 900 CG LEU A 58 5.679 -5.652 -3.809 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.601 -5.315 -2.327 1.00 0.00 C ATOM 902 CD2 LEU A 58 4.781 -4.727 -4.617 1.00 0.00 C ATOM 0 H LEU A 58 7.467 -8.009 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 58 6.580 -5.924 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.778 -6.007 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.400 -4.507 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 58 5.331 -6.676 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.566 -5.386 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.215 -6.016 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.966 -4.301 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.757 -4.805 -4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.127 -3.699 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.815 -5.014 -5.668 1.00 0.00 H new ATOM 914 N VAL A 59 9.756 -6.564 -5.775 1.00 0.00 N ATOM 915 CA VAL A 59 11.106 -6.362 -6.252 1.00 0.00 C ATOM 916 C VAL A 59 11.145 -6.693 -7.746 1.00 0.00 C ATOM 917 O VAL A 59 11.863 -6.068 -8.527 1.00 0.00 O ATOM 918 CB VAL A 59 12.088 -7.281 -5.488 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.204 -7.777 -6.386 1.00 0.00 C ATOM 920 CG2 VAL A 59 12.651 -6.591 -4.253 1.00 0.00 C ATOM 0 H VAL A 59 9.661 -7.316 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 59 11.404 -5.327 -6.086 1.00 0.00 H new ATOM 0 HB VAL A 59 11.520 -8.150 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 59 13.873 -8.419 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.779 -8.343 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.763 -6.926 -6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.337 -7.265 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.185 -5.689 -4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.835 -6.324 -3.581 1.00 0.00 H new ATOM 930 N GLN A 60 10.353 -7.702 -8.114 1.00 0.00 N ATOM 931 CA GLN A 60 10.255 -8.176 -9.488 1.00 0.00 C ATOM 932 C GLN A 60 9.696 -7.110 -10.408 1.00 0.00 C ATOM 933 O GLN A 60 9.934 -7.135 -11.615 1.00 0.00 O ATOM 934 CB GLN A 60 9.375 -9.426 -9.550 1.00 0.00 C ATOM 935 CG GLN A 60 9.560 -10.241 -10.820 1.00 0.00 C ATOM 936 CD GLN A 60 8.742 -11.518 -10.816 1.00 0.00 C ATOM 937 OE1 GLN A 60 8.390 -12.040 -9.758 1.00 0.00 O ATOM 938 NE2 GLN A 60 8.437 -12.029 -12.002 1.00 0.00 N ATOM 0 H GLN A 60 9.760 -8.213 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 60 11.262 -8.419 -9.827 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.594 -10.057 -8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.330 -9.128 -9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.277 -9.635 -11.681 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.615 -10.490 -10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.750 -11.563 -12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.890 -12.888 -12.062 1.00 0.00 H new ATOM 947 N ASN A 61 8.955 -6.173 -9.842 1.00 0.00 N ATOM 948 CA ASN A 61 8.376 -5.110 -10.634 1.00 0.00 C ATOM 949 C ASN A 61 9.443 -4.090 -11.002 1.00 0.00 C ATOM 950 O ASN A 61 9.929 -4.074 -12.133 1.00 0.00 O ATOM 951 CB ASN A 61 7.232 -4.458 -9.864 1.00 0.00 C ATOM 952 CG ASN A 61 6.051 -5.400 -9.674 1.00 0.00 C ATOM 953 OD1 ASN A 61 6.317 -6.710 -9.618 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 4.907 -4.958 -9.578 1.00 0.00 N flip ATOM 0 H ASN A 61 8.743 -6.129 -8.845 1.00 0.00 H new ATOM 0 HA ASN A 61 7.975 -5.524 -11.559 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.593 -4.131 -8.889 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.901 -3.566 -10.396 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.743 -3.952 -9.625 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.122 -5.597 -9.451 1.00 0.00 H new ATOM 961 N VAL A 62 9.817 -3.252 -10.036 1.00 0.00 N ATOM 962 CA VAL A 62 10.843 -2.230 -10.249 1.00 0.00 C ATOM 963 C VAL A 62 10.749 -1.628 -11.647 1.00 0.00 C ATOM 964 O VAL A 62 11.758 -1.283 -12.262 1.00 0.00 O ATOM 965 CB VAL A 62 12.257 -2.807 -10.034 1.00 0.00 C ATOM 966 CG1 VAL A 62 12.562 -3.886 -11.064 1.00 0.00 C ATOM 967 CG2 VAL A 62 13.301 -1.702 -10.081 1.00 0.00 C ATOM 0 H VAL A 62 9.424 -3.260 -9.095 1.00 0.00 H new ATOM 0 HA VAL A 62 10.664 -1.444 -9.516 1.00 0.00 H new ATOM 0 HB VAL A 62 12.292 -3.265 -9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.564 -4.279 -10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 62 11.835 -4.693 -10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.505 -3.460 -12.065 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.291 -2.130 -9.927 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.266 -1.209 -11.053 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.095 -0.973 -9.297 1.00 0.00 H new ATOM 977 N LYS A 63 9.523 -1.520 -12.145 1.00 0.00 N ATOM 978 CA LYS A 63 9.278 -0.974 -13.479 1.00 0.00 C ATOM 979 C LYS A 63 9.284 0.553 -13.485 1.00 0.00 C ATOM 980 O LYS A 63 8.723 1.171 -14.389 1.00 0.00 O ATOM 981 CB LYS A 63 7.943 -1.490 -14.020 1.00 0.00 C ATOM 982 CG LYS A 63 8.014 -1.965 -15.462 1.00 0.00 C ATOM 983 CD LYS A 63 8.340 -3.447 -15.545 1.00 0.00 C ATOM 984 CE LYS A 63 8.729 -3.854 -16.958 1.00 0.00 C ATOM 985 NZ LYS A 63 10.206 -3.942 -17.124 1.00 0.00 N ATOM 0 H LYS A 63 8.680 -1.803 -11.646 1.00 0.00 H new ATOM 0 HA LYS A 63 10.091 -1.310 -14.123 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.599 -2.312 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.199 -0.697 -13.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.062 -1.773 -15.957 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.773 -1.394 -15.997 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.156 -3.680 -14.861 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.477 -4.029 -15.222 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.279 -4.818 -17.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.326 -3.131 -17.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.430 -4.222 -18.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.634 -3.016 -16.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.588 -4.650 -16.465 1.00 0.00 H new ATOM 999 N ASP A 64 9.920 1.160 -12.481 1.00 0.00 N ATOM 1000 CA ASP A 64 9.990 2.616 -12.384 1.00 0.00 C ATOM 1001 C ASP A 64 8.608 3.201 -12.119 1.00 0.00 C ATOM 1002 O ASP A 64 8.367 3.799 -11.069 1.00 0.00 O ATOM 1003 CB ASP A 64 10.583 3.216 -13.662 1.00 0.00 C ATOM 1004 CG ASP A 64 12.070 3.484 -13.536 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.438 4.579 -13.064 1.00 0.00 O ATOM 1006 OD2 ASP A 64 12.867 2.597 -13.911 1.00 0.00 O ATOM 0 H ASP A 64 10.393 0.665 -11.725 1.00 0.00 H new ATOM 0 HA ASP A 64 10.642 2.870 -11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.408 2.535 -14.495 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.067 4.147 -13.897 1.00 0.00 H new ATOM 1011 N LYS A 65 7.700 3.010 -13.069 1.00 0.00 N ATOM 1012 CA LYS A 65 6.335 3.500 -12.933 1.00 0.00 C ATOM 1013 C LYS A 65 5.624 2.727 -11.846 1.00 0.00 C ATOM 1014 O LYS A 65 4.804 1.847 -12.115 1.00 0.00 O ATOM 1015 CB LYS A 65 5.596 3.362 -14.257 1.00 0.00 C ATOM 1016 CG LYS A 65 4.076 3.474 -14.177 1.00 0.00 C ATOM 1017 CD LYS A 65 3.392 2.386 -14.991 1.00 0.00 C ATOM 1018 CE LYS A 65 3.824 2.419 -16.448 1.00 0.00 C ATOM 1019 NZ LYS A 65 3.406 3.678 -17.125 1.00 0.00 N ATOM 0 H LYS A 65 7.886 2.518 -13.943 1.00 0.00 H new ATOM 0 HA LYS A 65 6.356 4.555 -12.659 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.964 4.128 -14.940 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.849 2.397 -14.695 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.759 3.404 -13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.763 4.453 -14.540 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.626 1.411 -14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.311 2.510 -14.929 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.908 2.318 -16.507 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.395 1.565 -16.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.629 3.618 -18.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.382 3.814 -17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.914 4.483 -16.706 1.00 0.00 H new ATOM 1033 N ASP A 66 5.948 3.058 -10.618 1.00 0.00 N ATOM 1034 CA ASP A 66 5.336 2.390 -9.483 1.00 0.00 C ATOM 1035 C ASP A 66 5.340 3.232 -8.217 1.00 0.00 C ATOM 1036 O ASP A 66 6.385 3.537 -7.653 1.00 0.00 O ATOM 1037 CB ASP A 66 6.048 1.063 -9.217 1.00 0.00 C ATOM 1038 CG ASP A 66 5.129 0.027 -8.601 1.00 0.00 C ATOM 1039 OD1 ASP A 66 4.276 0.408 -7.772 1.00 0.00 O ATOM 1040 OD2 ASP A 66 5.261 -1.165 -8.948 1.00 0.00 O ATOM 0 H ASP A 66 6.626 3.780 -10.375 1.00 0.00 H new ATOM 0 HA ASP A 66 4.292 2.219 -9.747 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.451 0.676 -10.153 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.894 1.235 -8.552 1.00 0.00 H new ATOM 1045 N THR A 67 4.143 3.528 -7.746 1.00 0.00 N ATOM 1046 CA THR A 67 3.936 4.250 -6.504 1.00 0.00 C ATOM 1047 C THR A 67 3.104 3.349 -5.614 1.00 0.00 C ATOM 1048 O THR A 67 2.102 2.798 -6.069 1.00 0.00 O ATOM 1049 CB THR A 67 3.234 5.593 -6.739 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.094 6.497 -7.407 1.00 0.00 O ATOM 1051 CG2 THR A 67 2.772 6.264 -5.462 1.00 0.00 C ATOM 0 H THR A 67 3.277 3.271 -8.220 1.00 0.00 H new ATOM 0 HA THR A 67 4.892 4.489 -6.038 1.00 0.00 H new ATOM 0 HB THR A 67 2.358 5.356 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.812 6.587 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.284 7.209 -5.703 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.067 5.614 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.631 6.453 -4.819 1.00 0.00 H new ATOM 1059 N LEU A 68 3.514 3.152 -4.375 1.00 0.00 N ATOM 1060 CA LEU A 68 2.768 2.258 -3.509 1.00 0.00 C ATOM 1061 C LEU A 68 2.408 2.890 -2.176 1.00 0.00 C ATOM 1062 O LEU A 68 3.266 3.402 -1.467 1.00 0.00 O ATOM 1063 CB LEU A 68 3.591 0.986 -3.271 1.00 0.00 C ATOM 1064 CG LEU A 68 2.957 -0.063 -2.353 1.00 0.00 C ATOM 1065 CD1 LEU A 68 3.120 0.329 -0.891 1.00 0.00 C ATOM 1066 CD2 LEU A 68 1.492 -0.261 -2.700 1.00 0.00 C ATOM 0 H LEU A 68 4.336 3.585 -3.954 1.00 0.00 H new ATOM 0 HA LEU A 68 1.830 2.024 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.792 0.521 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.554 1.274 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 68 3.474 -1.010 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.662 -0.431 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.180 0.410 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.634 1.289 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.059 -1.010 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.959 0.682 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.405 -0.597 -3.733 1.00 0.00 H new ATOM 1078 N VAL A 69 1.133 2.786 -1.821 1.00 0.00 N ATOM 1079 CA VAL A 69 0.645 3.280 -0.547 1.00 0.00 C ATOM 1080 C VAL A 69 0.025 2.109 0.191 1.00 0.00 C ATOM 1081 O VAL A 69 -0.894 1.471 -0.322 1.00 0.00 O ATOM 1082 CB VAL A 69 -0.413 4.391 -0.717 1.00 0.00 C ATOM 1083 CG1 VAL A 69 -0.581 5.174 0.576 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.048 5.314 -1.872 1.00 0.00 C ATOM 0 H VAL A 69 0.415 2.359 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 69 1.479 3.712 0.005 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.368 3.921 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.331 5.952 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.902 4.500 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.370 5.632 0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.808 6.089 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.919 5.777 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.007 4.737 -2.795 1.00 0.00 H new ATOM 1094 N PHE A 70 0.533 1.792 1.373 1.00 0.00 N ATOM 1095 CA PHE A 70 0.002 0.651 2.105 1.00 0.00 C ATOM 1096 C PHE A 70 -0.907 1.075 3.241 1.00 0.00 C ATOM 1097 O PHE A 70 -0.758 2.164 3.798 1.00 0.00 O ATOM 1098 CB PHE A 70 1.150 -0.197 2.652 1.00 0.00 C ATOM 1099 CG PHE A 70 1.972 0.504 3.696 1.00 0.00 C ATOM 1100 CD1 PHE A 70 1.604 0.462 5.032 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.113 1.205 3.341 1.00 0.00 C ATOM 1102 CE1 PHE A 70 2.359 1.107 5.994 1.00 0.00 C ATOM 1103 CE2 PHE A 70 3.871 1.852 4.298 1.00 0.00 C ATOM 1104 CZ PHE A 70 3.494 1.803 5.625 1.00 0.00 C ATOM 0 H PHE A 70 1.291 2.293 1.836 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.594 0.063 1.407 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.742 -1.114 3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.799 -0.490 1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.717 -0.081 5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.413 1.246 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.062 1.067 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.758 2.396 4.008 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.086 2.308 6.374 1.00 0.00 H new ATOM 1114 N HIS A 71 -1.831 0.180 3.594 1.00 0.00 N ATOM 1115 CA HIS A 71 -2.780 0.416 4.689 1.00 0.00 C ATOM 1116 C HIS A 71 -3.982 -0.524 4.588 1.00 0.00 C ATOM 1117 O HIS A 71 -3.876 -1.609 4.016 1.00 0.00 O ATOM 1118 CB HIS A 71 -3.254 1.878 4.722 1.00 0.00 C ATOM 1119 CG HIS A 71 -3.075 2.511 6.067 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -4.125 2.796 6.914 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -1.954 2.898 6.719 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -3.656 3.334 8.026 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -2.343 3.406 7.933 1.00 0.00 N ATOM 0 H HIS A 71 -1.944 -0.723 3.134 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.252 0.209 5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.702 2.452 3.978 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.306 1.921 4.441 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.109 2.619 6.714 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.941 2.821 6.352 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.248 3.660 8.868 1.00 0.00 H new ATOM 1132 N SER A 72 -5.121 -0.102 5.157 1.00 0.00 N ATOM 1133 CA SER A 72 -6.356 -0.894 5.151 1.00 0.00 C ATOM 1134 C SER A 72 -6.526 -1.640 6.471 1.00 0.00 C ATOM 1135 O SER A 72 -7.188 -2.676 6.530 1.00 0.00 O ATOM 1136 CB SER A 72 -6.389 -1.885 3.981 1.00 0.00 C ATOM 1137 OG SER A 72 -7.718 -2.262 3.668 1.00 0.00 O ATOM 0 H SER A 72 -5.210 0.796 5.633 1.00 0.00 H new ATOM 0 HA SER A 72 -7.185 -0.198 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.920 -1.435 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.807 -2.771 4.234 1.00 0.00 H new ATOM 0 HG SER A 72 -7.786 -2.455 2.710 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.930 -1.096 7.528 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.019 -1.696 8.853 1.00 0.00 C ATOM 1145 C ALA A 73 -6.419 -0.643 9.885 1.00 0.00 C ATOM 1146 O ALA A 73 -7.605 -0.416 10.115 1.00 0.00 O ATOM 1147 CB ALA A 73 -4.699 -2.358 9.227 1.00 0.00 C ATOM 0 H ALA A 73 -5.379 -0.238 7.491 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.789 -2.467 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.783 -2.801 10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.464 -3.136 8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.905 -1.611 9.229 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.429 0.007 10.495 1.00 0.00 N ATOM 1154 CA LEU A 74 -5.703 1.043 11.487 1.00 0.00 C ATOM 1155 C LEU A 74 -4.418 1.703 11.996 1.00 0.00 C ATOM 1156 O LEU A 74 -4.401 2.257 13.095 1.00 0.00 O ATOM 1157 CB LEU A 74 -6.491 0.452 12.666 1.00 0.00 C ATOM 1158 CG LEU A 74 -7.139 1.465 13.627 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -6.326 1.586 14.908 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -7.305 2.830 12.968 1.00 0.00 C ATOM 0 H LEU A 74 -4.439 -0.164 10.321 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.300 1.813 10.999 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.275 -0.191 12.266 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.820 -0.185 13.242 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.132 1.093 13.879 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.801 2.307 15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.277 0.615 15.401 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.318 1.923 14.668 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.765 3.521 13.674 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.328 3.212 12.671 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.940 2.734 12.087 1.00 0.00 H new ATOM 1172 N SER A 75 -3.350 1.655 11.190 1.00 0.00 N ATOM 1173 CA SER A 75 -2.064 2.259 11.559 1.00 0.00 C ATOM 1174 C SER A 75 -1.831 2.235 13.071 1.00 0.00 C ATOM 1175 O SER A 75 -1.467 3.248 13.669 1.00 0.00 O ATOM 1176 CB SER A 75 -1.995 3.700 11.046 1.00 0.00 C ATOM 1177 OG SER A 75 -0.724 3.982 10.487 1.00 0.00 O ATOM 0 H SER A 75 -3.352 1.203 10.276 1.00 0.00 H new ATOM 0 HA SER A 75 -1.278 1.664 11.094 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.769 3.860 10.296 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.197 4.391 11.865 1.00 0.00 H new ATOM 0 HG SER A 75 -0.771 3.904 9.511 1.00 0.00 H new ATOM 1183 N GLN A 76 -2.042 1.073 13.682 1.00 0.00 N ATOM 1184 CA GLN A 76 -1.853 0.924 15.124 1.00 0.00 C ATOM 1185 C GLN A 76 -0.585 0.137 15.438 1.00 0.00 C ATOM 1186 O GLN A 76 -0.088 0.170 16.564 1.00 0.00 O ATOM 1187 CB GLN A 76 -3.067 0.243 15.769 1.00 0.00 C ATOM 1188 CG GLN A 76 -3.783 -0.751 14.863 1.00 0.00 C ATOM 1189 CD GLN A 76 -2.988 -2.023 14.646 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -2.699 -2.756 15.591 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -2.635 -2.293 13.395 1.00 0.00 N ATOM 0 H GLN A 76 -2.343 0.223 13.205 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.749 1.925 15.544 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.742 -0.275 16.671 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.776 1.010 16.080 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.750 -1.002 15.299 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.980 -0.281 13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.897 -1.656 12.642 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.102 -3.137 13.186 1.00 0.00 H new ATOM 1200 N VAL A 77 -0.059 -0.567 14.439 1.00 0.00 N ATOM 1201 CA VAL A 77 1.156 -1.356 14.616 1.00 0.00 C ATOM 1202 C VAL A 77 1.546 -2.068 13.324 1.00 0.00 C ATOM 1203 O VAL A 77 2.728 -2.292 13.063 1.00 0.00 O ATOM 1204 CB VAL A 77 0.998 -2.401 15.740 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.070 -3.426 15.383 1.00 0.00 C ATOM 1206 CG2 VAL A 77 2.328 -3.083 16.025 1.00 0.00 C ATOM 0 H VAL A 77 -0.455 -0.607 13.500 1.00 0.00 H new ATOM 0 HA VAL A 77 1.944 -0.656 14.894 1.00 0.00 H new ATOM 0 HB VAL A 77 0.677 -1.883 16.644 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.162 -4.152 16.191 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.025 -2.921 15.238 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.212 -3.940 14.464 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.198 -3.817 16.820 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.681 -3.584 15.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.060 -2.337 16.336 1.00 0.00 H new ATOM 1216 N ARG A 78 0.548 -2.429 12.524 1.00 0.00 N ATOM 1217 CA ARG A 78 0.794 -3.124 11.266 1.00 0.00 C ATOM 1218 C ARG A 78 1.301 -2.174 10.192 1.00 0.00 C ATOM 1219 O ARG A 78 1.999 -2.597 9.276 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.473 -3.837 10.790 1.00 0.00 C ATOM 1221 CG ARG A 78 -0.201 -5.004 9.853 1.00 0.00 C ATOM 1222 CD ARG A 78 -0.325 -6.338 10.574 1.00 0.00 C ATOM 1223 NE ARG A 78 -0.551 -7.442 9.644 1.00 0.00 N ATOM 1224 CZ ARG A 78 -0.497 -8.726 9.992 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -0.230 -9.070 11.246 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -0.709 -9.669 9.085 1.00 0.00 N ATOM 0 H ARG A 78 -0.436 -2.252 12.724 1.00 0.00 H new ATOM 0 HA ARG A 78 1.570 -3.867 11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.023 -4.200 11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.116 -3.117 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.902 -4.973 9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.800 -4.908 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.583 -6.526 11.147 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.148 -6.290 11.287 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.762 -7.216 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.065 -8.349 11.948 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.190 -10.055 11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.914 -9.411 8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.667 -10.652 9.352 1.00 0.00 H new ATOM 1240 N GLY A 79 0.971 -0.892 10.307 1.00 0.00 N ATOM 1241 CA GLY A 79 1.448 0.068 9.327 1.00 0.00 C ATOM 1242 C GLY A 79 2.964 0.028 9.235 1.00 0.00 C ATOM 1243 O GLY A 79 3.528 -0.267 8.182 1.00 0.00 O ATOM 0 H GLY A 79 0.390 -0.504 11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.013 -0.152 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.121 1.071 9.603 1.00 0.00 H new ATOM 1247 N PRO A 80 3.645 0.299 10.364 1.00 0.00 N ATOM 1248 CA PRO A 80 5.102 0.267 10.439 1.00 0.00 C ATOM 1249 C PRO A 80 5.634 -1.136 10.191 1.00 0.00 C ATOM 1250 O PRO A 80 6.773 -1.307 9.760 1.00 0.00 O ATOM 1251 CB PRO A 80 5.415 0.713 11.875 1.00 0.00 C ATOM 1252 CG PRO A 80 4.157 1.337 12.376 1.00 0.00 C ATOM 1253 CD PRO A 80 3.041 0.633 11.663 1.00 0.00 C ATOM 0 HA PRO A 80 5.567 0.904 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.708 -0.134 12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.242 1.423 11.895 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.066 1.221 13.456 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.141 2.407 12.168 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.717 -0.259 12.200 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.166 1.273 11.550 1.00 0.00 H new ATOM 1261 N THR A 81 4.797 -2.144 10.453 1.00 0.00 N ATOM 1262 CA THR A 81 5.189 -3.528 10.237 1.00 0.00 C ATOM 1263 C THR A 81 5.247 -3.820 8.745 1.00 0.00 C ATOM 1264 O THR A 81 6.108 -4.562 8.274 1.00 0.00 O ATOM 1265 CB THR A 81 4.199 -4.469 10.910 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.078 -4.173 12.289 1.00 0.00 O ATOM 1267 CG2 THR A 81 4.577 -5.926 10.784 1.00 0.00 C ATOM 0 H THR A 81 3.850 -2.023 10.813 1.00 0.00 H new ATOM 0 HA THR A 81 6.175 -3.686 10.673 1.00 0.00 H new ATOM 0 HB THR A 81 3.254 -4.310 10.390 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.712 -3.270 12.399 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.829 -6.541 11.285 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.624 -6.200 9.730 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.551 -6.091 11.246 1.00 0.00 H new ATOM 1275 N CYS A 82 4.329 -3.205 8.003 1.00 0.00 N ATOM 1276 CA CYS A 82 4.280 -3.369 6.561 1.00 0.00 C ATOM 1277 C CYS A 82 5.527 -2.758 5.960 1.00 0.00 C ATOM 1278 O CYS A 82 6.185 -3.358 5.109 1.00 0.00 O ATOM 1279 CB CYS A 82 3.029 -2.702 5.983 1.00 0.00 C ATOM 1280 SG CYS A 82 2.889 -2.830 4.185 1.00 0.00 S ATOM 0 H CYS A 82 3.610 -2.589 8.382 1.00 0.00 H new ATOM 0 HA CYS A 82 4.235 -4.431 6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.147 -3.152 6.438 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.030 -1.648 6.263 1.00 0.00 H new ATOM 0 HG CYS A 82 1.651 -3.061 3.861 1.00 0.00 H new ATOM 1286 N ALA A 83 5.866 -1.568 6.442 1.00 0.00 N ATOM 1287 CA ALA A 83 7.064 -0.889 5.979 1.00 0.00 C ATOM 1288 C ALA A 83 8.293 -1.618 6.497 1.00 0.00 C ATOM 1289 O ALA A 83 9.339 -1.634 5.849 1.00 0.00 O ATOM 1290 CB ALA A 83 7.066 0.567 6.421 1.00 0.00 C ATOM 0 H ALA A 83 5.332 -1.059 7.147 1.00 0.00 H new ATOM 0 HA ALA A 83 7.081 -0.900 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.973 1.055 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.194 1.074 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.033 0.617 7.509 1.00 0.00 H new ATOM 1296 N ARG A 84 8.145 -2.252 7.658 1.00 0.00 N ATOM 1297 CA ARG A 84 9.234 -3.015 8.241 1.00 0.00 C ATOM 1298 C ARG A 84 9.524 -4.212 7.350 1.00 0.00 C ATOM 1299 O ARG A 84 10.672 -4.627 7.197 1.00 0.00 O ATOM 1300 CB ARG A 84 8.880 -3.471 9.659 1.00 0.00 C ATOM 1301 CG ARG A 84 9.724 -2.812 10.741 1.00 0.00 C ATOM 1302 CD ARG A 84 9.775 -1.300 10.573 1.00 0.00 C ATOM 1303 NE ARG A 84 9.593 -0.600 11.842 1.00 0.00 N ATOM 1304 CZ ARG A 84 9.320 0.700 11.939 1.00 0.00 C ATOM 1305 NH1 ARG A 84 9.197 1.442 10.845 1.00 0.00 N ATOM 1306 NH2 ARG A 84 9.170 1.258 13.132 1.00 0.00 N ATOM 0 H ARG A 84 7.285 -2.250 8.207 1.00 0.00 H new ATOM 0 HA ARG A 84 10.122 -2.386 8.310 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.829 -3.255 9.849 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.001 -4.552 9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.314 -3.056 11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.736 -3.216 10.710 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.733 -1.016 10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.001 -0.987 9.873 1.00 0.00 H new ATOM 0 HE ARG A 84 9.680 -1.138 12.704 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.312 1.017 9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.988 2.437 10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.264 0.692 13.975 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.961 2.254 13.207 1.00 0.00 H new ATOM 1320 N ARG A 85 8.464 -4.746 6.748 1.00 0.00 N ATOM 1321 CA ARG A 85 8.586 -5.880 5.848 1.00 0.00 C ATOM 1322 C ARG A 85 9.273 -5.448 4.561 1.00 0.00 C ATOM 1323 O ARG A 85 10.111 -6.173 4.022 1.00 0.00 O ATOM 1324 CB ARG A 85 7.211 -6.474 5.540 1.00 0.00 C ATOM 1325 CG ARG A 85 6.638 -7.298 6.680 1.00 0.00 C ATOM 1326 CD ARG A 85 5.119 -7.298 6.659 1.00 0.00 C ATOM 1327 NE ARG A 85 4.554 -7.595 7.972 1.00 0.00 N ATOM 1328 CZ ARG A 85 3.288 -7.953 8.170 1.00 0.00 C ATOM 1329 NH1 ARG A 85 2.455 -8.067 7.142 1.00 0.00 N ATOM 1330 NH2 ARG A 85 2.850 -8.199 9.398 1.00 0.00 N ATOM 0 H ARG A 85 7.510 -4.407 6.871 1.00 0.00 H new ATOM 0 HA ARG A 85 9.189 -6.647 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.519 -5.665 5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.285 -7.100 4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.004 -8.322 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.990 -6.899 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.761 -6.325 6.322 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.766 -8.035 5.937 1.00 0.00 H new ATOM 0 HE ARG A 85 5.166 -7.524 8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.785 -7.880 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.485 -8.342 7.299 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.484 -8.114 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.879 -8.473 9.548 1.00 0.00 H new ATOM 1344 N LEU A 86 8.940 -4.246 4.082 1.00 0.00 N ATOM 1345 CA LEU A 86 9.569 -3.731 2.874 1.00 0.00 C ATOM 1346 C LEU A 86 11.070 -3.670 3.105 1.00 0.00 C ATOM 1347 O LEU A 86 11.867 -4.105 2.273 1.00 0.00 O ATOM 1348 CB LEU A 86 9.026 -2.340 2.535 1.00 0.00 C ATOM 1349 CG LEU A 86 9.179 -1.924 1.070 1.00 0.00 C ATOM 1350 CD1 LEU A 86 7.871 -2.116 0.319 1.00 0.00 C ATOM 1351 CD2 LEU A 86 9.644 -0.478 0.972 1.00 0.00 C ATOM 0 H LEU A 86 8.251 -3.625 4.506 1.00 0.00 H new ATOM 0 HA LEU A 86 9.347 -4.389 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.969 -2.305 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.534 -1.606 3.160 1.00 0.00 H new ATOM 0 HG LEU A 86 9.934 -2.561 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.001 -1.815 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.579 -3.165 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.094 -1.506 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.747 -0.199 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.912 0.173 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.606 -0.371 1.473 1.00 0.00 H new ATOM 1363 N VAL A 87 11.434 -3.154 4.274 1.00 0.00 N ATOM 1364 CA VAL A 87 12.825 -3.056 4.677 1.00 0.00 C ATOM 1365 C VAL A 87 13.427 -4.446 4.867 1.00 0.00 C ATOM 1366 O VAL A 87 14.602 -4.668 4.579 1.00 0.00 O ATOM 1367 CB VAL A 87 12.977 -2.256 5.986 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.447 -2.055 6.325 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.258 -0.919 5.882 1.00 0.00 C ATOM 0 H VAL A 87 10.774 -2.794 4.963 1.00 0.00 H new ATOM 0 HA VAL A 87 13.356 -2.532 3.883 1.00 0.00 H new ATOM 0 HB VAL A 87 12.518 -2.827 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.532 -1.488 7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.928 -3.025 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.935 -1.507 5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.376 -0.369 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.684 -0.340 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.198 -1.090 5.693 1.00 0.00 H new ATOM 1379 N ASN A 88 12.614 -5.374 5.374 1.00 0.00 N ATOM 1380 CA ASN A 88 13.065 -6.741 5.625 1.00 0.00 C ATOM 1381 C ASN A 88 13.572 -7.402 4.346 1.00 0.00 C ATOM 1382 O ASN A 88 14.686 -7.927 4.316 1.00 0.00 O ATOM 1383 CB ASN A 88 11.919 -7.555 6.260 1.00 0.00 C ATOM 1384 CG ASN A 88 11.715 -8.929 5.636 1.00 0.00 C ATOM 1385 OD1 ASN A 88 12.608 -9.777 5.672 1.00 0.00 O ATOM 1386 ND2 ASN A 88 10.533 -9.156 5.062 1.00 0.00 N ATOM 0 H ASN A 88 11.639 -5.202 5.619 1.00 0.00 H new ATOM 0 HA ASN A 88 13.903 -6.712 6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.120 -7.677 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.993 -6.987 6.174 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.341 -10.060 4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.821 -8.426 5.054 1.00 0.00 H new ATOM 1393 N TYR A 89 12.766 -7.377 3.289 1.00 0.00 N ATOM 1394 CA TYR A 89 13.182 -7.980 2.029 1.00 0.00 C ATOM 1395 C TYR A 89 14.301 -7.168 1.404 1.00 0.00 C ATOM 1396 O TYR A 89 15.278 -7.727 0.909 1.00 0.00 O ATOM 1397 CB TYR A 89 12.005 -8.124 1.063 1.00 0.00 C ATOM 1398 CG TYR A 89 12.021 -9.411 0.254 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.183 -10.157 0.114 1.00 0.00 C ATOM 1400 CD2 TYR A 89 10.874 -9.867 -0.388 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.197 -11.319 -0.629 1.00 0.00 C ATOM 1402 CE2 TYR A 89 10.874 -11.023 -1.131 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.042 -11.751 -1.248 1.00 0.00 C ATOM 1404 OH TYR A 89 12.056 -12.920 -1.977 1.00 0.00 O ATOM 0 H TYR A 89 11.838 -6.954 3.279 1.00 0.00 H new ATOM 0 HA TYR A 89 13.554 -8.983 2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.075 -8.075 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.005 -7.276 0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.091 -9.822 0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.960 -9.298 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.109 -11.889 -0.726 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.970 -11.359 -1.618 1.00 0.00 H new ATOM 0 HH TYR A 89 11.635 -13.636 -1.456 1.00 0.00 H new ATOM 1414 N LEU A 90 14.186 -5.847 1.464 1.00 0.00 N ATOM 1415 CA LEU A 90 15.235 -4.991 0.935 1.00 0.00 C ATOM 1416 C LEU A 90 16.543 -5.318 1.649 1.00 0.00 C ATOM 1417 O LEU A 90 17.629 -5.206 1.082 1.00 0.00 O ATOM 1418 CB LEU A 90 14.880 -3.514 1.127 1.00 0.00 C ATOM 1419 CG LEU A 90 15.752 -2.531 0.348 1.00 0.00 C ATOM 1420 CD1 LEU A 90 15.272 -2.415 -1.090 1.00 0.00 C ATOM 1421 CD2 LEU A 90 15.750 -1.167 1.023 1.00 0.00 C ATOM 0 H LEU A 90 13.390 -5.353 1.867 1.00 0.00 H new ATOM 0 HA LEU A 90 15.342 -5.171 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.841 -3.365 0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.949 -3.275 2.188 1.00 0.00 H new ATOM 0 HG LEU A 90 16.774 -2.910 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.905 -1.710 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.324 -3.392 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.242 -2.060 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.376 -0.479 0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.731 -0.782 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.141 -1.262 2.036 1.00 0.00 H new ATOM 1433 N ASP A 91 16.407 -5.749 2.903 1.00 0.00 N ATOM 1434 CA ASP A 91 17.544 -6.131 3.724 1.00 0.00 C ATOM 1435 C ASP A 91 18.167 -7.428 3.213 1.00 0.00 C ATOM 1436 O ASP A 91 19.388 -7.546 3.116 1.00 0.00 O ATOM 1437 CB ASP A 91 17.105 -6.302 5.184 1.00 0.00 C ATOM 1438 CG ASP A 91 18.278 -6.293 6.146 1.00 0.00 C ATOM 1439 OD1 ASP A 91 19.013 -7.302 6.195 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.459 -5.279 6.852 1.00 0.00 O ATOM 0 H ASP A 91 15.506 -5.841 3.372 1.00 0.00 H new ATOM 0 HA ASP A 91 18.292 -5.340 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.415 -5.501 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.560 -7.240 5.289 1.00 0.00 H new ATOM 1445 N GLU A 92 17.312 -8.400 2.893 1.00 0.00 N ATOM 1446 CA GLU A 92 17.777 -9.695 2.399 1.00 0.00 C ATOM 1447 C GLU A 92 18.125 -9.631 0.914 1.00 0.00 C ATOM 1448 O GLU A 92 19.293 -9.736 0.536 1.00 0.00 O ATOM 1449 CB GLU A 92 16.711 -10.766 2.639 1.00 0.00 C ATOM 1450 CG GLU A 92 16.973 -11.620 3.868 1.00 0.00 C ATOM 1451 CD GLU A 92 16.590 -10.921 5.158 1.00 0.00 C ATOM 1452 OE1 GLU A 92 15.682 -10.064 5.123 1.00 0.00 O ATOM 1453 OE2 GLU A 92 17.197 -11.232 6.205 1.00 0.00 O ATOM 0 H GLU A 92 16.298 -8.315 2.967 1.00 0.00 H new ATOM 0 HA GLU A 92 18.681 -9.957 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.739 -10.283 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.654 -11.412 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.413 -12.552 3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 92 18.030 -11.885 3.903 1.00 0.00 H new ATOM 1460 N LYS A 93 17.104 -9.465 0.076 1.00 0.00 N ATOM 1461 CA LYS A 93 17.295 -9.394 -1.371 1.00 0.00 C ATOM 1462 C LYS A 93 18.465 -8.481 -1.728 1.00 0.00 C ATOM 1463 O LYS A 93 19.296 -8.821 -2.570 1.00 0.00 O ATOM 1464 CB LYS A 93 16.017 -8.891 -2.048 1.00 0.00 C ATOM 1465 CG LYS A 93 16.138 -8.754 -3.558 1.00 0.00 C ATOM 1466 CD LYS A 93 16.185 -10.112 -4.240 1.00 0.00 C ATOM 1467 CE LYS A 93 14.810 -10.534 -4.733 1.00 0.00 C ATOM 1468 NZ LYS A 93 14.736 -12.000 -4.989 1.00 0.00 N ATOM 0 H LYS A 93 16.133 -9.377 0.375 1.00 0.00 H new ATOM 0 HA LYS A 93 17.522 -10.398 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.201 -9.576 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.749 -7.923 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.293 -8.183 -3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.039 -8.192 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.879 -10.075 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.568 -10.858 -3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.059 -10.256 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.571 -9.993 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.783 -12.246 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.435 -12.262 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.938 -12.517 -4.109 1.00 0.00 H new ATOM 1482 N LYS A 94 18.521 -7.322 -1.080 1.00 0.00 N ATOM 1483 CA LYS A 94 19.590 -6.357 -1.324 1.00 0.00 C ATOM 1484 C LYS A 94 19.778 -6.116 -2.822 1.00 0.00 C ATOM 1485 O LYS A 94 20.861 -6.330 -3.367 1.00 0.00 O ATOM 1486 CB LYS A 94 20.900 -6.850 -0.701 1.00 0.00 C ATOM 1487 CG LYS A 94 22.030 -5.833 -0.766 1.00 0.00 C ATOM 1488 CD LYS A 94 21.650 -4.524 -0.089 1.00 0.00 C ATOM 1489 CE LYS A 94 21.667 -3.360 -1.069 1.00 0.00 C ATOM 1490 NZ LYS A 94 20.295 -2.978 -1.504 1.00 0.00 N ATOM 0 H LYS A 94 17.839 -7.027 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 94 19.308 -5.412 -0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.720 -7.113 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.214 -7.761 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.918 -6.245 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.288 -5.642 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.657 -4.616 0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.342 -4.322 0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.152 -2.502 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.262 -3.629 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.248 -1.948 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.069 -3.456 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.608 -3.263 -0.777 1.00 0.00 H new ATOM 1504 N GLU A 95 18.713 -5.671 -3.480 1.00 0.00 N ATOM 1505 CA GLU A 95 18.759 -5.402 -4.913 1.00 0.00 C ATOM 1506 C GLU A 95 17.510 -4.652 -5.364 1.00 0.00 C ATOM 1507 O GLU A 95 16.391 -5.147 -5.227 1.00 0.00 O ATOM 1508 CB GLU A 95 18.892 -6.710 -5.695 1.00 0.00 C ATOM 1509 CG GLU A 95 18.955 -6.514 -7.201 1.00 0.00 C ATOM 1510 CD GLU A 95 19.911 -7.478 -7.877 1.00 0.00 C ATOM 1511 OE1 GLU A 95 19.752 -8.702 -7.684 1.00 0.00 O ATOM 1512 OE2 GLU A 95 20.815 -7.010 -8.598 1.00 0.00 O ATOM 0 H GLU A 95 17.809 -5.489 -3.045 1.00 0.00 H new ATOM 0 HA GLU A 95 19.630 -4.777 -5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.792 -7.230 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 95 18.046 -7.354 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.958 -6.642 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.263 -5.491 -7.418 1.00 0.00 H new ATOM 1519 N ASP A 96 17.710 -3.454 -5.903 1.00 0.00 N ATOM 1520 CA ASP A 96 16.601 -2.634 -6.376 1.00 0.00 C ATOM 1521 C ASP A 96 15.630 -2.324 -5.241 1.00 0.00 C ATOM 1522 O ASP A 96 15.819 -2.767 -4.108 1.00 0.00 O ATOM 1523 CB ASP A 96 15.865 -3.342 -7.514 1.00 0.00 C ATOM 1524 CG ASP A 96 16.735 -3.518 -8.743 1.00 0.00 C ATOM 1525 OD1 ASP A 96 17.740 -2.789 -8.868 1.00 0.00 O ATOM 1526 OD2 ASP A 96 16.411 -4.387 -9.580 1.00 0.00 O ATOM 0 H ASP A 96 18.630 -3.029 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 96 17.010 -1.694 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.524 -4.319 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.976 -2.770 -7.780 1.00 0.00 H new ATOM 1531 N THR A 97 14.590 -1.559 -5.555 1.00 0.00 N ATOM 1532 CA THR A 97 13.585 -1.185 -4.563 1.00 0.00 C ATOM 1533 C THR A 97 12.202 -1.664 -4.991 1.00 0.00 C ATOM 1534 O THR A 97 11.421 -2.153 -4.175 1.00 0.00 O ATOM 1535 CB THR A 97 13.571 0.338 -4.345 1.00 0.00 C ATOM 1536 OG1 THR A 97 12.294 0.883 -4.630 1.00 0.00 O ATOM 1537 CG2 THR A 97 14.578 1.087 -5.192 1.00 0.00 C ATOM 0 H THR A 97 14.420 -1.185 -6.489 1.00 0.00 H new ATOM 0 HA THR A 97 13.847 -1.668 -3.622 1.00 0.00 H new ATOM 0 HB THR A 97 13.835 0.467 -3.295 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.398 1.787 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.508 2.154 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.583 0.737 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.369 0.910 -6.247 1.00 0.00 H new ATOM 1545 N GLY A 98 11.904 -1.511 -6.276 1.00 0.00 N ATOM 1546 CA GLY A 98 10.615 -1.921 -6.788 1.00 0.00 C ATOM 1547 C GLY A 98 9.630 -0.771 -6.831 1.00 0.00 C ATOM 1548 O GLY A 98 9.082 -0.449 -7.885 1.00 0.00 O ATOM 0 H GLY A 98 12.534 -1.110 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.737 -2.332 -7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.214 -2.719 -6.163 1.00 0.00 H new ATOM 1552 N ILE A 99 9.414 -0.145 -5.678 1.00 0.00 N ATOM 1553 CA ILE A 99 8.495 0.988 -5.583 1.00 0.00 C ATOM 1554 C ILE A 99 9.211 2.308 -5.827 1.00 0.00 C ATOM 1555 O ILE A 99 10.338 2.508 -5.375 1.00 0.00 O ATOM 1556 CB ILE A 99 7.765 1.081 -4.224 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.487 0.285 -3.130 1.00 0.00 C ATOM 1558 CG2 ILE A 99 6.330 0.609 -4.363 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.834 0.860 -2.749 1.00 0.00 C ATOM 0 H ILE A 99 9.861 -0.401 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 99 7.751 0.807 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 99 7.768 2.128 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.854 0.246 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.623 -0.742 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.828 0.680 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.810 1.234 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.319 -0.427 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.285 0.245 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.484 0.873 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.704 1.877 -2.378 1.00 0.00 H new ATOM 1571 N LYS A 100 8.543 3.213 -6.527 1.00 0.00 N ATOM 1572 CA LYS A 100 9.117 4.524 -6.805 1.00 0.00 C ATOM 1573 C LYS A 100 8.928 5.449 -5.606 1.00 0.00 C ATOM 1574 O LYS A 100 9.815 6.231 -5.266 1.00 0.00 O ATOM 1575 CB LYS A 100 8.480 5.143 -8.052 1.00 0.00 C ATOM 1576 CG LYS A 100 9.419 6.054 -8.824 1.00 0.00 C ATOM 1577 CD LYS A 100 8.664 7.178 -9.514 1.00 0.00 C ATOM 1578 CE LYS A 100 9.613 8.203 -10.112 1.00 0.00 C ATOM 1579 NZ LYS A 100 10.003 7.856 -11.506 1.00 0.00 N ATOM 0 H LYS A 100 7.609 3.067 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 100 10.184 4.397 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.139 4.344 -8.710 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.598 5.711 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.159 6.476 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.964 5.471 -9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.032 6.764 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.003 7.667 -8.798 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.139 9.185 -10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.507 8.274 -9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.651 8.581 -11.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.478 6.931 -11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.153 7.813 -12.104 1.00 0.00 H new ATOM 1593 N ASN A 101 7.765 5.347 -4.963 1.00 0.00 N ATOM 1594 CA ASN A 101 7.463 6.170 -3.795 1.00 0.00 C ATOM 1595 C ASN A 101 6.455 5.476 -2.879 1.00 0.00 C ATOM 1596 O ASN A 101 5.365 5.102 -3.312 1.00 0.00 O ATOM 1597 CB ASN A 101 6.923 7.534 -4.235 1.00 0.00 C ATOM 1598 CG ASN A 101 7.835 8.676 -3.825 1.00 0.00 C ATOM 1599 OD1 ASN A 101 7.516 9.444 -2.917 1.00 0.00 O ATOM 1600 ND2 ASN A 101 8.975 8.793 -4.495 1.00 0.00 N ATOM 0 H ASN A 101 7.020 4.704 -5.231 1.00 0.00 H new ATOM 0 HA ASN A 101 8.387 6.316 -3.235 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.800 7.541 -5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.935 7.688 -3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 101 9.627 9.542 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.198 8.134 -5.240 1.00 0.00 H new ATOM 1607 N ILE A 102 6.825 5.312 -1.611 1.00 0.00 N ATOM 1608 CA ILE A 102 5.954 4.669 -0.632 1.00 0.00 C ATOM 1609 C ILE A 102 5.170 5.702 0.181 1.00 0.00 C ATOM 1610 O ILE A 102 5.717 6.715 0.615 1.00 0.00 O ATOM 1611 CB ILE A 102 6.750 3.756 0.324 1.00 0.00 C ATOM 1612 CG1 ILE A 102 5.798 2.983 1.240 1.00 0.00 C ATOM 1613 CG2 ILE A 102 7.742 4.570 1.142 1.00 0.00 C ATOM 1614 CD1 ILE A 102 6.235 1.558 1.503 1.00 0.00 C ATOM 0 H ILE A 102 7.724 5.616 -1.238 1.00 0.00 H new ATOM 0 HA ILE A 102 5.250 4.055 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 102 7.312 3.038 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.714 3.510 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.804 2.973 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.293 3.908 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.440 5.073 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.205 5.313 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.513 1.071 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.292 1.015 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.215 1.560 1.980 1.00 0.00 H new ATOM 1626 N MET A 103 3.876 5.439 0.366 1.00 0.00 N ATOM 1627 CA MET A 103 3.001 6.339 1.108 1.00 0.00 C ATOM 1628 C MET A 103 2.159 5.569 2.125 1.00 0.00 C ATOM 1629 O MET A 103 2.074 4.342 2.078 1.00 0.00 O ATOM 1630 CB MET A 103 2.088 7.090 0.139 1.00 0.00 C ATOM 1631 CG MET A 103 2.777 8.231 -0.590 1.00 0.00 C ATOM 1632 SD MET A 103 3.844 7.661 -1.927 1.00 0.00 S ATOM 1633 CE MET A 103 5.381 8.473 -1.498 1.00 0.00 C ATOM 0 H MET A 103 3.411 4.604 0.009 1.00 0.00 H new ATOM 0 HA MET A 103 3.622 7.053 1.649 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.695 6.387 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 103 1.235 7.485 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 103 2.023 8.905 -0.995 1.00 0.00 H new ATOM 0 HG3 MET A 103 3.369 8.806 0.122 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.211 7.782 -1.644 1.00 0.00 H new ATOM 0 HE2 MET A 103 5.521 9.347 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.349 8.785 -0.454 1.00 0.00 H new ATOM 1643 N ILE A 104 1.541 6.304 3.050 1.00 0.00 N ATOM 1644 CA ILE A 104 0.714 5.697 4.085 1.00 0.00 C ATOM 1645 C ILE A 104 -0.622 6.431 4.243 1.00 0.00 C ATOM 1646 O ILE A 104 -0.717 7.642 4.044 1.00 0.00 O ATOM 1647 CB ILE A 104 1.466 5.649 5.437 1.00 0.00 C ATOM 1648 CG1 ILE A 104 0.528 5.215 6.578 1.00 0.00 C ATOM 1649 CG2 ILE A 104 2.125 6.989 5.732 1.00 0.00 C ATOM 1650 CD1 ILE A 104 -0.149 6.355 7.315 1.00 0.00 C ATOM 0 H ILE A 104 1.600 7.321 3.101 1.00 0.00 H new ATOM 0 HA ILE A 104 0.499 4.676 3.770 1.00 0.00 H new ATOM 0 HB ILE A 104 2.254 4.900 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.240 4.559 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.100 4.626 7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.648 6.935 6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 104 2.836 7.227 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.363 7.767 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.789 5.952 8.100 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.608 7.001 7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.753 6.933 6.615 1.00 0.00 H new ATOM 1662 N LEU A 105 -1.651 5.661 4.596 1.00 0.00 N ATOM 1663 CA LEU A 105 -3.004 6.180 4.787 1.00 0.00 C ATOM 1664 C LEU A 105 -3.171 6.839 6.152 1.00 0.00 C ATOM 1665 O LEU A 105 -2.885 6.233 7.185 1.00 0.00 O ATOM 1666 CB LEU A 105 -4.011 5.036 4.647 1.00 0.00 C ATOM 1667 CG LEU A 105 -5.337 5.400 3.980 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -6.028 6.517 4.743 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -5.114 5.791 2.529 1.00 0.00 C ATOM 0 H LEU A 105 -1.569 4.657 4.758 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.183 6.939 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.545 4.234 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.222 4.638 5.640 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.986 4.525 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.970 6.763 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.224 6.193 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.386 7.398 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.069 6.047 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.447 6.652 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.666 4.955 1.992 1.00 0.00 H new ATOM 1681 N GLU A 106 -3.658 8.076 6.149 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.891 8.808 7.386 1.00 0.00 C ATOM 1683 C GLU A 106 -5.210 8.362 8.004 1.00 0.00 C ATOM 1684 O GLU A 106 -6.170 8.081 7.286 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.913 10.314 7.123 1.00 0.00 C ATOM 1686 CG GLU A 106 -2.624 10.843 6.515 1.00 0.00 C ATOM 1687 CD GLU A 106 -1.885 11.790 7.441 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -1.165 11.301 8.338 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -2.027 13.019 7.270 1.00 0.00 O ATOM 0 H GLU A 106 -3.899 8.591 5.302 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.079 8.594 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.742 10.546 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.104 10.836 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.974 10.004 6.266 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.852 11.358 5.582 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.253 8.278 9.332 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.462 7.841 10.032 1.00 0.00 C ATOM 1698 C ARG A 107 -6.609 6.326 9.945 1.00 0.00 C ATOM 1699 O ARG A 107 -6.741 5.649 10.965 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.704 8.524 9.455 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.635 9.092 10.515 1.00 0.00 C ATOM 1702 CD ARG A 107 -7.917 10.077 11.422 1.00 0.00 C ATOM 1703 NE ARG A 107 -7.109 11.030 10.665 1.00 0.00 N ATOM 1704 CZ ARG A 107 -6.154 11.784 11.202 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -5.881 11.698 12.499 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -5.469 12.627 10.442 1.00 0.00 N ATOM 0 H ARG A 107 -4.469 8.505 9.944 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.368 8.127 11.080 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.390 9.329 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.254 7.805 8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.477 9.588 10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.045 8.278 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.649 10.618 12.021 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.278 9.531 12.116 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.288 11.123 9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.405 11.051 13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -5.147 12.279 12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.674 12.697 9.445 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.737 13.205 10.854 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.569 5.792 8.725 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.682 4.359 8.544 1.00 0.00 C ATOM 1722 C GLY A 108 -8.108 3.846 8.608 1.00 0.00 C ATOM 1723 O GLY A 108 -8.563 3.156 7.697 1.00 0.00 O ATOM 0 H GLY A 108 -6.461 6.327 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.251 4.089 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.090 3.857 9.310 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.808 4.155 9.695 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.178 3.684 9.869 1.00 0.00 C ATOM 1729 C PHE A 109 -11.206 4.750 9.523 1.00 0.00 C ATOM 1730 O PHE A 109 -11.849 4.693 8.474 1.00 0.00 O ATOM 1731 CB PHE A 109 -10.392 3.206 11.309 1.00 0.00 C ATOM 1732 CG PHE A 109 -10.683 1.736 11.424 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.997 0.814 10.651 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -11.643 1.278 12.313 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -10.264 -0.538 10.761 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -11.915 -0.072 12.426 1.00 0.00 C ATOM 1737 CZ PHE A 109 -11.223 -0.981 11.649 1.00 0.00 C ATOM 0 H PHE A 109 -8.453 4.725 10.463 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.322 2.854 9.177 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.502 3.438 11.895 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -11.218 3.766 11.749 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.245 1.155 9.955 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -12.185 1.985 12.924 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -9.722 -1.247 10.152 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -12.667 -0.416 13.120 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.432 -2.037 11.736 1.00 0.00 H new ATOM 1747 N ASN A 110 -11.367 5.713 10.419 1.00 0.00 N ATOM 1748 CA ASN A 110 -12.332 6.779 10.209 1.00 0.00 C ATOM 1749 C ASN A 110 -12.028 7.508 8.915 1.00 0.00 C ATOM 1750 O ASN A 110 -12.925 7.859 8.160 1.00 0.00 O ATOM 1751 CB ASN A 110 -12.310 7.759 11.383 1.00 0.00 C ATOM 1752 CG ASN A 110 -13.033 7.218 12.600 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -14.262 7.153 12.628 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -12.271 6.826 13.614 1.00 0.00 N ATOM 0 H ASN A 110 -10.845 5.777 11.293 1.00 0.00 H new ATOM 0 HA ASN A 110 -13.327 6.340 10.143 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.276 7.982 11.647 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -12.771 8.698 11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -12.701 6.453 14.460 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.256 6.898 13.547 1.00 0.00 H new ATOM 1761 N GLY A 111 -10.749 7.708 8.665 1.00 0.00 N ATOM 1762 CA GLY A 111 -10.326 8.371 7.458 1.00 0.00 C ATOM 1763 C GLY A 111 -10.602 7.542 6.231 1.00 0.00 C ATOM 1764 O GLY A 111 -10.937 8.076 5.174 1.00 0.00 O ATOM 0 H GLY A 111 -9.990 7.420 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -10.840 9.328 7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.259 8.586 7.518 1.00 0.00 H new ATOM 1768 N TRP A 112 -10.432 6.227 6.360 1.00 0.00 N ATOM 1769 CA TRP A 112 -10.641 5.346 5.227 1.00 0.00 C ATOM 1770 C TRP A 112 -12.110 5.329 4.812 1.00 0.00 C ATOM 1771 O TRP A 112 -12.418 5.694 3.687 1.00 0.00 O ATOM 1772 CB TRP A 112 -10.148 3.941 5.617 1.00 0.00 C ATOM 1773 CG TRP A 112 -10.575 2.823 4.712 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -11.002 2.913 3.420 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -10.599 1.430 5.044 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -11.313 1.664 2.936 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -11.065 0.737 3.913 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -10.274 0.703 6.194 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -11.215 -0.647 3.900 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -10.421 -0.671 6.177 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -10.889 -1.334 5.036 1.00 0.00 C ATOM 0 H TRP A 112 -10.155 5.761 7.224 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.078 5.704 4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.059 3.957 5.655 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -10.499 3.721 6.625 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -11.084 3.832 2.858 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -11.670 1.461 2.002 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -9.915 1.206 7.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -11.577 -1.161 3.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -10.171 -1.243 7.058 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -10.994 -2.409 5.054 1.00 0.00 H new ATOM 1792 N GLU A 113 -13.025 4.975 5.720 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.454 4.966 5.400 1.00 0.00 C ATOM 1794 C GLU A 113 -14.999 6.371 5.151 1.00 0.00 C ATOM 1795 O GLU A 113 -15.758 6.597 4.208 1.00 0.00 O ATOM 1796 CB GLU A 113 -15.253 4.295 6.518 1.00 0.00 C ATOM 1797 CG GLU A 113 -16.525 3.615 6.032 1.00 0.00 C ATOM 1798 CD GLU A 113 -17.777 4.184 6.674 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -17.883 4.130 7.918 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -18.650 4.680 5.933 1.00 0.00 O ATOM 0 H GLU A 113 -12.803 4.693 6.675 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.567 4.395 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -14.622 3.556 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -15.514 5.043 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -16.597 3.720 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -16.465 2.548 6.245 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.647 7.295 6.033 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.137 8.668 5.953 1.00 0.00 C ATOM 1809 C ALA A 114 -14.645 9.456 4.747 1.00 0.00 C ATOM 1810 O ALA A 114 -15.444 10.103 4.069 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.735 9.421 7.196 1.00 0.00 C ATOM 0 H ALA A 114 -14.020 7.119 6.818 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.219 8.578 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.101 10.446 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.164 8.934 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.648 9.429 7.281 1.00 0.00 H new ATOM 1817 N SER A 115 -13.335 9.465 4.500 1.00 0.00 N ATOM 1818 CA SER A 115 -12.820 10.267 3.389 1.00 0.00 C ATOM 1819 C SER A 115 -11.815 9.539 2.518 1.00 0.00 C ATOM 1820 O SER A 115 -10.747 10.069 2.206 1.00 0.00 O ATOM 1821 CB SER A 115 -12.204 11.561 3.920 1.00 0.00 C ATOM 1822 OG SER A 115 -12.247 12.586 2.942 1.00 0.00 O ATOM 0 H SER A 115 -12.634 8.948 5.031 1.00 0.00 H new ATOM 0 HA SER A 115 -13.677 10.485 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.740 11.883 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.171 11.380 4.217 1.00 0.00 H new ATOM 0 HG SER A 115 -11.848 13.403 3.307 1.00 0.00 H new ATOM 1828 N GLY A 116 -12.171 8.345 2.097 1.00 0.00 N ATOM 1829 CA GLY A 116 -11.288 7.593 1.222 1.00 0.00 C ATOM 1830 C GLY A 116 -11.507 6.106 1.300 1.00 0.00 C ATOM 1831 O GLY A 116 -10.550 5.340 1.407 1.00 0.00 O ATOM 0 H GLY A 116 -13.046 7.879 2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -11.437 7.923 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -10.253 7.816 1.481 1.00 0.00 H new ATOM 1835 N LYS A 117 -12.767 5.686 1.268 1.00 0.00 N ATOM 1836 CA LYS A 117 -13.071 4.262 1.364 1.00 0.00 C ATOM 1837 C LYS A 117 -14.037 3.775 0.309 1.00 0.00 C ATOM 1838 O LYS A 117 -15.205 3.522 0.609 1.00 0.00 O ATOM 1839 CB LYS A 117 -13.661 3.935 2.727 1.00 0.00 C ATOM 1840 CG LYS A 117 -14.093 2.496 2.907 1.00 0.00 C ATOM 1841 CD LYS A 117 -13.952 2.057 4.362 1.00 0.00 C ATOM 1842 CE LYS A 117 -13.921 0.541 4.514 1.00 0.00 C ATOM 1843 NZ LYS A 117 -15.190 0.007 5.085 1.00 0.00 N ATOM 0 H LYS A 117 -13.580 6.296 1.178 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.120 3.753 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -12.924 4.176 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.522 4.581 2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.129 2.382 2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -13.490 1.850 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -13.038 2.479 4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.782 2.460 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.741 0.083 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.088 0.259 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.008 -0.383 6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.889 0.774 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -15.560 -0.743 4.467 1.00 0.00 H new ATOM 1857 N PRO A 118 -13.570 3.560 -0.919 1.00 0.00 N ATOM 1858 CA PRO A 118 -14.414 3.010 -1.956 1.00 0.00 C ATOM 1859 C PRO A 118 -14.663 1.543 -1.622 1.00 0.00 C ATOM 1860 O PRO A 118 -14.275 0.648 -2.372 1.00 0.00 O ATOM 1861 CB PRO A 118 -13.581 3.154 -3.241 1.00 0.00 C ATOM 1862 CG PRO A 118 -12.383 3.965 -2.857 1.00 0.00 C ATOM 1863 CD PRO A 118 -12.195 3.757 -1.381 1.00 0.00 C ATOM 0 HA PRO A 118 -15.382 3.501 -2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -13.286 2.179 -3.628 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -14.154 3.648 -4.026 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -11.501 3.644 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -12.537 5.020 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -11.566 2.892 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -11.725 4.618 -0.905 1.00 0.00 H new ATOM 1871 N VAL A 119 -15.278 1.302 -0.457 1.00 0.00 N ATOM 1872 CA VAL A 119 -15.527 -0.053 -0.004 1.00 0.00 C ATOM 1873 C VAL A 119 -16.884 -0.537 -0.509 1.00 0.00 C ATOM 1874 O VAL A 119 -17.922 0.061 -0.222 1.00 0.00 O ATOM 1875 CB VAL A 119 -15.425 -0.188 1.545 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.391 0.735 2.284 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -15.638 -1.636 1.967 1.00 0.00 C ATOM 0 H VAL A 119 -15.607 2.029 0.178 1.00 0.00 H new ATOM 0 HA VAL A 119 -14.747 -0.688 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.419 0.124 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -16.275 0.597 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.174 1.771 2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.415 0.496 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.564 -1.714 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.626 -1.967 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.877 -2.265 1.505 1.00 0.00 H new ATOM 1887 N CYS A 120 -16.847 -1.602 -1.309 1.00 0.00 N ATOM 1888 CA CYS A 120 -18.049 -2.166 -1.928 1.00 0.00 C ATOM 1889 C CYS A 120 -18.822 -3.081 -0.969 1.00 0.00 C ATOM 1890 O CYS A 120 -18.369 -3.367 0.139 1.00 0.00 O ATOM 1891 CB CYS A 120 -17.626 -2.893 -3.222 1.00 0.00 C ATOM 1892 SG CYS A 120 -18.407 -4.492 -3.546 1.00 0.00 S ATOM 0 H CYS A 120 -15.988 -2.097 -1.546 1.00 0.00 H new ATOM 0 HA CYS A 120 -18.744 -1.363 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -17.834 -2.235 -4.066 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -16.547 -3.041 -3.192 1.00 0.00 H new ATOM 0 HG CYS A 120 -18.491 -4.682 -4.829 1.00 0.00 H new ATOM 1897 N ARG A 121 -20.002 -3.525 -1.405 1.00 0.00 N ATOM 1898 CA ARG A 121 -20.844 -4.399 -0.595 1.00 0.00 C ATOM 1899 C ARG A 121 -21.563 -5.433 -1.467 1.00 0.00 C ATOM 1900 O ARG A 121 -22.792 -5.456 -1.531 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.869 -3.569 0.181 1.00 0.00 C ATOM 1902 CG ARG A 121 -22.874 -2.854 -0.709 1.00 0.00 C ATOM 1903 CD ARG A 121 -22.676 -1.346 -0.682 1.00 0.00 C ATOM 1904 NE ARG A 121 -23.339 -0.686 -1.804 1.00 0.00 N ATOM 1905 CZ ARG A 121 -22.786 -0.521 -3.004 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -21.559 -0.966 -3.249 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -23.462 0.093 -3.965 1.00 0.00 N ATOM 0 H ARG A 121 -20.395 -3.292 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.203 -4.931 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.406 -4.222 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.343 -2.831 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.776 -3.216 -1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.886 -3.094 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.065 -0.946 0.255 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.610 -1.120 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.284 -0.330 -1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -21.032 -1.439 -2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.144 -0.835 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.405 0.438 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.039 0.220 -4.885 1.00 0.00 H new ATOM 1921 N CYS A 122 -20.790 -6.288 -2.136 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.362 -7.322 -3.001 1.00 0.00 C ATOM 1923 C CYS A 122 -20.991 -8.719 -2.511 1.00 0.00 C ATOM 1924 O CYS A 122 -20.932 -8.974 -1.308 1.00 0.00 O ATOM 1925 CB CYS A 122 -20.880 -7.140 -4.444 1.00 0.00 C ATOM 1926 SG CYS A 122 -19.115 -7.456 -4.680 1.00 0.00 S ATOM 0 H CYS A 122 -19.771 -6.286 -2.097 1.00 0.00 H new ATOM 0 HA CYS A 122 -22.447 -7.219 -2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -21.447 -7.808 -5.092 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -21.102 -6.122 -4.764 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.431 -6.438 -4.250 1.00 0.00 H new ATOM 1931 N ALA A 123 -20.738 -9.618 -3.458 1.00 0.00 N ATOM 1932 CA ALA A 123 -20.365 -10.989 -3.134 1.00 0.00 C ATOM 1933 C ALA A 123 -19.929 -11.764 -4.377 1.00 0.00 C ATOM 1934 O ALA A 123 -20.082 -12.984 -4.438 1.00 0.00 O ATOM 1935 CB ALA A 123 -21.523 -11.698 -2.449 1.00 0.00 C ATOM 0 H ALA A 123 -20.785 -9.420 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 123 -19.514 -10.951 -2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.234 -12.722 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.780 -11.171 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -22.387 -11.710 -3.114 1.00 0.00 H new ATOM 1941 N GLU A 124 -19.382 -11.057 -5.369 1.00 0.00 N ATOM 1942 CA GLU A 124 -18.928 -11.704 -6.600 1.00 0.00 C ATOM 1943 C GLU A 124 -18.316 -10.712 -7.575 1.00 0.00 C ATOM 1944 O GLU A 124 -18.103 -9.545 -7.246 1.00 0.00 O ATOM 1945 CB GLU A 124 -20.076 -12.463 -7.281 1.00 0.00 C ATOM 1946 CG GLU A 124 -21.465 -12.009 -6.860 1.00 0.00 C ATOM 1947 CD GLU A 124 -22.512 -12.275 -7.924 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -22.233 -12.007 -9.112 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -23.611 -12.752 -7.570 1.00 0.00 O ATOM 0 H GLU A 124 -19.244 -10.047 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 124 -18.153 -12.414 -6.312 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -19.981 -12.348 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -19.973 -13.526 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -21.748 -12.522 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -21.442 -10.942 -6.636 1.00 0.00 H new ATOM 1956 N VAL A 125 -18.016 -11.200 -8.781 1.00 0.00 N ATOM 1957 CA VAL A 125 -17.403 -10.371 -9.815 1.00 0.00 C ATOM 1958 C VAL A 125 -16.141 -9.712 -9.254 1.00 0.00 C ATOM 1959 O VAL A 125 -15.756 -9.994 -8.120 1.00 0.00 O ATOM 1960 CB VAL A 125 -18.378 -9.286 -10.349 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -18.518 -9.395 -11.863 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -19.748 -9.384 -9.687 1.00 0.00 C ATOM 0 H VAL A 125 -18.189 -12.165 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 125 -17.147 -11.016 -10.655 1.00 0.00 H new ATOM 0 HB VAL A 125 -17.955 -8.313 -10.098 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -19.204 -8.628 -12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -17.543 -9.256 -12.330 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -18.907 -10.380 -12.122 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -20.402 -8.609 -10.087 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -20.181 -10.364 -9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -19.642 -9.250 -8.610 1.00 0.00 H new ATOM 1972 N PRO A 126 -15.467 -8.828 -10.015 1.00 0.00 N ATOM 1973 CA PRO A 126 -14.254 -8.159 -9.532 1.00 0.00 C ATOM 1974 C PRO A 126 -14.432 -7.536 -8.144 1.00 0.00 C ATOM 1975 O PRO A 126 -13.457 -7.115 -7.521 1.00 0.00 O ATOM 1976 CB PRO A 126 -14.009 -7.075 -10.582 1.00 0.00 C ATOM 1977 CG PRO A 126 -14.614 -7.622 -11.827 1.00 0.00 C ATOM 1978 CD PRO A 126 -15.817 -8.410 -11.387 1.00 0.00 C ATOM 0 HA PRO A 126 -13.425 -8.857 -9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -14.474 -6.132 -10.295 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -12.944 -6.879 -10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -14.900 -6.820 -12.508 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -13.905 -8.256 -12.360 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.723 -7.804 -11.404 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -15.995 -9.268 -12.036 1.00 0.00 H new ATOM 1986 N CYS A 127 -15.675 -7.499 -7.657 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.983 -6.950 -6.341 1.00 0.00 C ATOM 1988 C CYS A 127 -15.654 -5.462 -6.223 1.00 0.00 C ATOM 1989 O CYS A 127 -16.540 -4.648 -5.965 1.00 0.00 O ATOM 1990 CB CYS A 127 -15.243 -7.724 -5.251 1.00 0.00 C ATOM 1991 SG CYS A 127 -15.674 -7.208 -3.572 1.00 0.00 S ATOM 0 H CYS A 127 -16.489 -7.847 -8.163 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.060 -7.057 -6.209 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -15.459 -8.787 -5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -14.170 -7.601 -5.395 1.00 0.00 H new ATOM 0 HG CYS A 127 -16.565 -6.263 -3.624 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.381 -5.111 -6.373 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.965 -3.716 -6.238 1.00 0.00 C ATOM 1998 C LYS A 128 -13.076 -3.246 -7.364 1.00 0.00 C ATOM 1999 O LYS A 128 -13.428 -2.332 -8.109 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.195 -3.493 -4.919 1.00 0.00 C ATOM 2001 CG LYS A 128 -13.682 -4.381 -3.779 1.00 0.00 C ATOM 2002 CD LYS A 128 -12.702 -5.505 -3.421 1.00 0.00 C ATOM 2003 CE LYS A 128 -11.961 -6.062 -4.631 1.00 0.00 C ATOM 2004 NZ LYS A 128 -11.961 -7.551 -4.648 1.00 0.00 N ATOM 0 H LYS A 128 -13.626 -5.763 -6.586 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.891 -3.141 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -12.135 -3.681 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.290 -2.448 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -13.855 -3.765 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -14.641 -4.819 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -11.976 -5.130 -2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -13.248 -6.313 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -12.425 -5.689 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -10.933 -5.699 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -12.154 -7.887 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -11.032 -7.902 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -12.697 -7.906 -4.004 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.865 -3.790 -7.405 1.00 0.00 N ATOM 2019 CA GLY A 129 -10.896 -3.311 -8.356 1.00 0.00 C ATOM 2020 C GLY A 129 -10.510 -1.904 -7.958 1.00 0.00 C ATOM 2021 O GLY A 129 -9.749 -1.221 -8.641 1.00 0.00 O ATOM 0 H GLY A 129 -11.545 -4.547 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -10.019 -3.959 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -11.312 -3.322 -9.363 1.00 0.00 H new