USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 56 ASN : amide:sc= -1.08 K(o=-1.3,f=-1.9!) USER MOD Set 1.2: A 106 GLN : amide:sc= -0.17 K(o=-1.3,f=-1.9) USER MOD Single : A 1 ALA N :NH3+ 136:sc= 0.0267 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 27:sc= 0.00671 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000118) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.4!) USER MOD Single : A 27 GLN : amide:sc= -0.949 X(o=-0.95,f=-0.73) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.179 USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= -0.369 (180deg=-3.9!) USER MOD Single : A 38 SER OG : rot -110:sc= 1.09 USER MOD Single : A 42 HIS : no HE2:sc= -3.96! C(o=-4!,f=-5.6!) USER MOD Single : A 44 TYR OH : rot 100:sc= -1.05 USER MOD Single : A 49 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.00044) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.152) USER MOD Single : A 67 TYR OH : rot 128:sc= 0.106 USER MOD Single : A 70 TYR OH : rot -42:sc= -0.577 USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= -2 (180deg=-2.04) USER MOD Single : A 75 ASN : amide:sc=-0.00685 X(o=-0.0069,f=-0.0069) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= -0.0209 (180deg=-0.224) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 87 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.2) USER MOD Single : A 88 LYS NZ :NH3+ 142:sc= -0.716 (180deg=-2.36!) USER MOD Single : A 92 THR OG1 : rot 98:sc= 1.08 USER MOD Single : A 98 TYR OH : rot -156:sc= -0.261 USER MOD Single : A 100 ASN : amide:sc= -6.02! C(o=-6!,f=-2.7!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot -140:sc= -0.383 USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot -170:sc= -0.794 USER MOD Single : A 113 HIS : no HD1:sc= -12.4! C(o=-11!,f=-25!) USER MOD Single : A 114 SER OG : rot 180:sc= -0.199 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0363 K(o=-0.036,f=-0.63) USER MOD Single : A 120 ASN : amide:sc= -2.4 K(o=-2.4,f=-1.6) USER MOD Single : A 121 GLN : amide:sc= -2.24! X(o=-2.2!,f=-2.7) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -152:sc= 0.00464 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.328 10.704 4.222 1.00 0.00 N ATOM 2 CA ALA A 1 -14.174 11.001 2.793 1.00 0.00 C ATOM 3 C ALA A 1 -13.326 9.936 2.119 1.00 0.00 C ATOM 4 O ALA A 1 -12.326 9.528 2.689 1.00 0.00 O ATOM 5 CB ALA A 1 -13.582 12.391 2.587 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.196 11.575 4.774 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.280 10.325 4.397 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.617 10.001 4.509 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.161 10.991 2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.478 12.588 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.242 13.137 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.603 12.444 3.063 1.00 0.00 H new ATOM 13 N PRO A 2 -13.727 9.494 0.921 1.00 0.00 N ATOM 14 CA PRO A 2 -12.983 8.518 0.129 1.00 0.00 C ATOM 15 C PRO A 2 -11.639 9.044 -0.402 1.00 0.00 C ATOM 16 O PRO A 2 -10.923 8.356 -1.119 1.00 0.00 O ATOM 17 CB PRO A 2 -13.911 8.155 -1.028 1.00 0.00 C ATOM 18 CG PRO A 2 -14.781 9.392 -1.199 1.00 0.00 C ATOM 19 CD PRO A 2 -14.906 9.959 0.206 1.00 0.00 C ATOM 0 HA PRO A 2 -12.714 7.663 0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.350 7.932 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.510 7.274 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.322 10.110 -1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.756 9.138 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.949 11.048 0.187 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.820 9.612 0.689 1.00 0.00 H new ATOM 27 N ILE A 3 -11.302 10.283 -0.076 1.00 0.00 N ATOM 28 CA ILE A 3 -10.067 10.925 -0.488 1.00 0.00 C ATOM 29 C ILE A 3 -9.222 11.302 0.724 1.00 0.00 C ATOM 30 O ILE A 3 -9.544 12.215 1.482 1.00 0.00 O ATOM 31 CB ILE A 3 -10.369 12.140 -1.376 1.00 0.00 C ATOM 32 CG1 ILE A 3 -9.069 12.651 -2.013 1.00 0.00 C ATOM 33 CG2 ILE A 3 -11.019 13.275 -0.576 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.466 11.644 -2.971 1.00 0.00 C ATOM 0 H ILE A 3 -11.896 10.883 0.497 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.483 10.219 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.068 11.822 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.268 13.581 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.348 12.880 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.218 14.118 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.956 12.924 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.346 13.590 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.548 12.051 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.240 10.722 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.175 11.434 -3.772 1.00 0.00 H new ATOM 46 N VAL A 4 -8.150 10.576 0.931 1.00 0.00 N ATOM 47 CA VAL A 4 -7.227 10.862 2.024 1.00 0.00 C ATOM 48 C VAL A 4 -5.864 11.272 1.505 1.00 0.00 C ATOM 49 O VAL A 4 -5.685 11.474 0.299 1.00 0.00 O ATOM 50 CB VAL A 4 -7.129 9.661 2.955 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.476 9.310 3.568 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.525 8.445 2.270 1.00 0.00 C ATOM 0 H VAL A 4 -7.886 9.775 0.357 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.619 11.706 2.592 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.454 9.956 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.363 8.448 4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.846 10.159 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.185 9.071 2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.477 7.616 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.145 8.162 1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.520 8.685 1.923 1.00 0.00 H new ATOM 62 N THR A 5 -4.912 11.460 2.415 1.00 0.00 N ATOM 63 CA THR A 5 -3.541 11.809 2.083 1.00 0.00 C ATOM 64 C THR A 5 -2.530 11.329 3.110 1.00 0.00 C ATOM 65 O THR A 5 -2.642 11.581 4.297 1.00 0.00 O ATOM 66 CB THR A 5 -3.384 13.314 1.888 1.00 0.00 C ATOM 67 OG1 THR A 5 -3.851 14.076 2.972 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.105 13.804 0.635 1.00 0.00 C ATOM 0 H THR A 5 -5.078 11.372 3.418 1.00 0.00 H new ATOM 0 HA THR A 5 -3.330 11.291 1.147 1.00 0.00 H new ATOM 0 HB THR A 5 -2.308 13.460 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.794 13.545 3.794 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.968 14.881 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.694 13.302 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.169 13.580 0.716 1.00 0.00 H new ATOM 76 N CYS A 6 -1.457 10.695 2.649 1.00 0.00 N ATOM 77 CA CYS A 6 -0.447 10.193 3.572 1.00 0.00 C ATOM 78 C CYS A 6 0.299 11.352 4.217 1.00 0.00 C ATOM 79 O CYS A 6 0.277 12.464 3.681 1.00 0.00 O ATOM 80 CB CYS A 6 0.471 9.214 2.844 1.00 0.00 C ATOM 81 SG CYS A 6 -0.333 7.798 2.061 1.00 0.00 S ATOM 0 H CYS A 6 -1.266 10.519 1.663 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.919 9.642 4.385 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.019 9.763 2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.206 8.840 3.556 1.00 0.00 H new ATOM 86 N ARG A 7 1.082 11.063 5.261 1.00 0.00 N ATOM 87 CA ARG A 7 1.965 12.047 5.900 1.00 0.00 C ATOM 88 C ARG A 7 3.464 11.750 5.709 1.00 0.00 C ATOM 89 O ARG A 7 4.258 11.835 6.643 1.00 0.00 O ATOM 90 CB ARG A 7 1.571 12.167 7.370 1.00 0.00 C ATOM 91 CG ARG A 7 1.841 10.878 8.148 1.00 0.00 C ATOM 92 CD ARG A 7 2.007 11.158 9.632 1.00 0.00 C ATOM 93 NE ARG A 7 0.704 11.195 10.306 1.00 0.00 N ATOM 94 CZ ARG A 7 0.097 10.142 10.817 1.00 0.00 C ATOM 95 NH1 ARG A 7 0.659 8.961 10.806 1.00 0.00 N ATOM 96 NH2 ARG A 7 -1.051 10.282 11.426 1.00 0.00 N ATOM 0 H ARG A 7 1.122 10.138 5.689 1.00 0.00 H new ATOM 0 HA ARG A 7 1.825 13.008 5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.124 12.988 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.513 12.417 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.018 10.179 7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.741 10.399 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.633 10.388 10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.521 12.109 9.772 1.00 0.00 H new ATOM 0 HE ARG A 7 0.236 12.098 10.385 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.585 8.841 10.396 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.171 8.160 11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.477 11.205 11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.521 9.468 11.822 1.00 0.00 H new ATOM 110 N PRO A 8 3.892 11.429 4.481 1.00 0.00 N ATOM 111 CA PRO A 8 5.273 11.123 4.180 1.00 0.00 C ATOM 112 C PRO A 8 6.172 12.344 4.369 1.00 0.00 C ATOM 113 O PRO A 8 5.744 13.498 4.259 1.00 0.00 O ATOM 114 CB PRO A 8 5.265 10.667 2.725 1.00 0.00 C ATOM 115 CG PRO A 8 4.064 11.363 2.128 1.00 0.00 C ATOM 116 CD PRO A 8 3.106 11.432 3.277 1.00 0.00 C ATOM 0 HA PRO A 8 5.672 10.359 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.185 10.950 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.177 9.583 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.317 12.355 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.649 10.803 1.290 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.496 12.333 3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.422 10.583 3.261 1.00 0.00 H new ATOM 124 N LYS A 9 7.474 12.087 4.520 1.00 0.00 N ATOM 125 CA LYS A 9 8.491 13.125 4.672 1.00 0.00 C ATOM 126 C LYS A 9 9.358 13.237 3.426 1.00 0.00 C ATOM 127 O LYS A 9 10.308 12.484 3.252 1.00 0.00 O ATOM 128 CB LYS A 9 9.325 12.853 5.927 1.00 0.00 C ATOM 129 CG LYS A 9 10.433 13.893 6.118 1.00 0.00 C ATOM 130 CD LYS A 9 11.263 13.578 7.365 1.00 0.00 C ATOM 131 CE LYS A 9 12.242 12.430 7.107 1.00 0.00 C ATOM 132 NZ LYS A 9 13.335 12.413 8.109 1.00 0.00 N ATOM 0 H LYS A 9 7.854 11.140 4.540 1.00 0.00 H new ATOM 0 HA LYS A 9 7.996 14.089 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.674 12.852 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.768 11.860 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.079 13.909 5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.994 14.887 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.814 14.467 7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.600 13.315 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.707 11.481 7.135 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.665 12.529 6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.980 11.623 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.860 13.310 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.932 12.294 9.060 1.00 0.00 H new ATOM 146 N LEU A 10 9.088 14.230 2.589 1.00 0.00 N ATOM 147 CA LEU A 10 9.884 14.447 1.386 1.00 0.00 C ATOM 148 C LEU A 10 11.375 14.620 1.749 1.00 0.00 C ATOM 149 O LEU A 10 12.193 13.714 1.706 1.00 0.00 O ATOM 150 CB LEU A 10 9.328 15.664 0.626 1.00 0.00 C ATOM 151 CG LEU A 10 9.733 15.739 -0.853 1.00 0.00 C ATOM 152 CD1 LEU A 10 11.192 15.414 -1.086 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.848 14.831 -1.691 1.00 0.00 C ATOM 0 H LEU A 10 8.327 14.896 2.719 1.00 0.00 H new ATOM 0 HA LEU A 10 9.817 13.577 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.240 15.649 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.664 16.572 1.127 1.00 0.00 H new ATOM 0 HG LEU A 10 9.591 16.774 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.415 15.485 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 10 11.814 16.121 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.399 14.402 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.148 14.895 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.952 13.802 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.808 15.143 -1.592 1.00 0.00 H new ATOM 165 N ASP A 11 11.730 15.812 2.200 1.00 0.00 N ATOM 166 CA ASP A 11 13.120 16.139 2.516 1.00 0.00 C ATOM 167 C ASP A 11 13.213 16.773 3.895 1.00 0.00 C ATOM 168 O ASP A 11 13.968 17.707 4.140 1.00 0.00 O ATOM 169 CB ASP A 11 13.732 17.041 1.443 1.00 0.00 C ATOM 170 CG ASP A 11 15.256 16.962 1.448 1.00 0.00 C ATOM 171 OD1 ASP A 11 15.774 15.823 1.483 1.00 0.00 O ATOM 172 OD2 ASP A 11 15.857 18.059 1.457 1.00 0.00 O ATOM 0 H ASP A 11 11.074 16.577 2.358 1.00 0.00 H new ATOM 0 HA ASP A 11 13.697 15.215 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.355 16.749 0.463 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.420 18.072 1.611 1.00 0.00 H new ATOM 177 N GLY A 12 12.325 16.360 4.797 1.00 0.00 N ATOM 178 CA GLY A 12 12.290 16.916 6.143 1.00 0.00 C ATOM 179 C GLY A 12 10.946 17.511 6.509 1.00 0.00 C ATOM 180 O GLY A 12 10.658 17.671 7.686 1.00 0.00 O ATOM 0 H GLY A 12 11.622 15.643 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.540 16.133 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.057 17.686 6.231 1.00 0.00 H new ATOM 184 N ARG A 13 10.121 17.821 5.506 1.00 0.00 N ATOM 185 CA ARG A 13 8.790 18.384 5.711 1.00 0.00 C ATOM 186 C ARG A 13 7.722 17.333 5.460 1.00 0.00 C ATOM 187 O ARG A 13 7.958 16.377 4.724 1.00 0.00 O ATOM 188 CB ARG A 13 8.583 19.596 4.795 1.00 0.00 C ATOM 189 CG ARG A 13 9.318 20.845 5.293 1.00 0.00 C ATOM 190 CD ARG A 13 10.763 20.879 4.797 1.00 0.00 C ATOM 191 NE ARG A 13 10.882 21.531 3.485 1.00 0.00 N ATOM 192 CZ ARG A 13 11.868 21.320 2.630 1.00 0.00 C ATOM 193 NH1 ARG A 13 12.812 20.461 2.898 1.00 0.00 N ATOM 194 NH2 ARG A 13 11.892 21.962 1.494 1.00 0.00 N ATOM 0 H ARG A 13 10.362 17.687 4.524 1.00 0.00 H new ATOM 0 HA ARG A 13 8.705 18.713 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.930 19.351 3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.517 19.812 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.794 21.737 4.951 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.306 20.866 6.383 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.382 21.408 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.147 19.861 4.732 1.00 0.00 H new ATOM 0 HE ARG A 13 10.153 22.192 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.795 19.942 3.776 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.567 20.308 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.151 22.625 1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.652 21.801 0.833 1.00 0.00 H new ATOM 208 N GLU A 14 6.538 17.569 6.004 1.00 0.00 N ATOM 209 CA GLU A 14 5.403 16.663 5.851 1.00 0.00 C ATOM 210 C GLU A 14 4.568 17.058 4.637 1.00 0.00 C ATOM 211 O GLU A 14 4.001 18.156 4.572 1.00 0.00 O ATOM 212 CB GLU A 14 4.524 16.669 7.102 1.00 0.00 C ATOM 213 CG GLU A 14 5.234 16.079 8.326 1.00 0.00 C ATOM 214 CD GLU A 14 4.302 15.994 9.545 1.00 0.00 C ATOM 215 OE1 GLU A 14 3.070 15.942 9.342 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.844 16.009 10.673 1.00 0.00 O ATOM 0 H GLU A 14 6.334 18.395 6.566 1.00 0.00 H new ATOM 0 HA GLU A 14 5.796 15.657 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.219 17.692 7.322 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.615 16.101 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.607 15.084 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.100 16.692 8.574 1.00 0.00 H new ATOM 223 N LYS A 15 4.550 16.191 3.621 1.00 0.00 N ATOM 224 CA LYS A 15 3.790 16.429 2.402 1.00 0.00 C ATOM 225 C LYS A 15 2.624 15.459 2.274 1.00 0.00 C ATOM 226 O LYS A 15 2.846 14.267 2.297 1.00 0.00 O ATOM 227 CB LYS A 15 4.713 16.362 1.181 1.00 0.00 C ATOM 228 CG LYS A 15 4.268 17.302 0.056 1.00 0.00 C ATOM 229 CD LYS A 15 4.515 18.772 0.428 1.00 0.00 C ATOM 230 CE LYS A 15 3.672 19.706 -0.443 1.00 0.00 C ATOM 231 NZ LYS A 15 3.596 21.068 0.140 1.00 0.00 N ATOM 0 H LYS A 15 5.062 15.309 3.625 1.00 0.00 H new ATOM 0 HA LYS A 15 3.365 17.431 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.729 16.618 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.740 15.339 0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.809 17.060 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.209 17.150 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.272 18.931 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.572 19.009 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.102 19.760 -1.443 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.667 19.298 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.018 21.677 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.163 21.018 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.554 21.466 0.219 1.00 0.00 H new ATOM 245 N PRO A 16 1.408 15.955 2.030 1.00 0.00 N ATOM 246 CA PRO A 16 0.221 15.130 1.859 1.00 0.00 C ATOM 247 C PRO A 16 0.260 14.316 0.569 1.00 0.00 C ATOM 248 O PRO A 16 0.158 14.881 -0.531 1.00 0.00 O ATOM 249 CB PRO A 16 -0.947 16.103 1.855 1.00 0.00 C ATOM 250 CG PRO A 16 -0.329 17.411 1.379 1.00 0.00 C ATOM 251 CD PRO A 16 1.088 17.362 1.908 1.00 0.00 C ATOM 0 HA PRO A 16 0.141 14.393 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.742 15.770 1.188 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.385 16.206 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.346 17.488 0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.871 18.273 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.778 17.864 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.165 17.867 2.871 1.00 0.00 H new ATOM 259 N PHE A 17 0.364 12.996 0.685 1.00 0.00 N ATOM 260 CA PHE A 17 0.397 12.120 -0.477 1.00 0.00 C ATOM 261 C PHE A 17 -1.001 11.810 -0.971 1.00 0.00 C ATOM 262 O PHE A 17 -1.707 11.047 -0.337 1.00 0.00 O ATOM 263 CB PHE A 17 1.130 10.823 -0.167 1.00 0.00 C ATOM 264 CG PHE A 17 1.999 10.324 -1.286 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.656 10.601 -2.617 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.140 9.556 -1.001 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.468 10.150 -3.655 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.950 9.092 -2.040 1.00 0.00 C ATOM 269 CZ PHE A 17 3.615 9.401 -3.364 1.00 0.00 C ATOM 0 H PHE A 17 0.427 12.509 1.579 1.00 0.00 H new ATOM 0 HA PHE A 17 0.936 12.649 -1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.747 10.971 0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.397 10.055 0.079 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.761 11.165 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.391 9.324 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.214 10.377 -4.680 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.827 8.500 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.248 9.058 -4.169 1.00 0.00 H new ATOM 279 N LYS A 18 -1.408 12.410 -2.088 1.00 0.00 N ATOM 280 CA LYS A 18 -2.734 12.215 -2.678 1.00 0.00 C ATOM 281 C LYS A 18 -3.071 10.745 -2.786 1.00 0.00 C ATOM 282 O LYS A 18 -2.415 10.075 -3.550 1.00 0.00 O ATOM 283 CB LYS A 18 -2.814 12.855 -4.063 1.00 0.00 C ATOM 284 CG LYS A 18 -2.494 14.350 -4.039 1.00 0.00 C ATOM 285 CD LYS A 18 -3.758 15.174 -3.795 1.00 0.00 C ATOM 286 CE LYS A 18 -3.415 16.659 -3.687 1.00 0.00 C ATOM 287 NZ LYS A 18 -2.835 16.994 -2.363 1.00 0.00 N ATOM 0 H LYS A 18 -0.820 13.054 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.456 12.697 -2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.119 12.349 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.814 12.708 -4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.763 14.557 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.040 14.644 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.465 15.016 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.246 14.840 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.708 16.927 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.314 17.253 -3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.631 18.013 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.513 16.746 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.954 16.459 -2.224 1.00 0.00 H new ATOM 301 N VAL A 19 -4.045 10.257 -2.047 1.00 0.00 N ATOM 302 CA VAL A 19 -4.419 8.839 -2.037 1.00 0.00 C ATOM 303 C VAL A 19 -5.916 8.690 -1.842 1.00 0.00 C ATOM 304 O VAL A 19 -6.531 9.285 -0.976 1.00 0.00 O ATOM 305 CB VAL A 19 -3.686 8.044 -0.941 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.230 7.771 -1.316 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.735 8.749 0.399 1.00 0.00 C ATOM 0 H VAL A 19 -4.613 10.833 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.123 8.431 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.212 7.093 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.748 7.208 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.194 7.193 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.708 8.717 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.206 8.153 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.261 9.727 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.773 8.875 0.706 1.00 0.00 H new ATOM 317 N ASP A 20 -6.537 7.838 -2.622 1.00 0.00 N ATOM 318 CA ASP A 20 -7.981 7.675 -2.617 1.00 0.00 C ATOM 319 C ASP A 20 -8.279 6.237 -2.227 1.00 0.00 C ATOM 320 O ASP A 20 -7.678 5.285 -2.740 1.00 0.00 O ATOM 321 CB ASP A 20 -8.620 8.018 -3.972 1.00 0.00 C ATOM 322 CG ASP A 20 -7.846 9.045 -4.810 1.00 0.00 C ATOM 323 OD1 ASP A 20 -6.647 8.810 -5.100 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.484 10.028 -5.235 1.00 0.00 O ATOM 0 H ASP A 20 -6.055 7.231 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.416 8.372 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.722 7.101 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.626 8.398 -3.797 1.00 0.00 H new ATOM 329 N VAL A 21 -9.240 6.064 -1.323 1.00 0.00 N ATOM 330 CA VAL A 21 -9.645 4.739 -0.862 1.00 0.00 C ATOM 331 C VAL A 21 -10.158 3.894 -2.019 1.00 0.00 C ATOM 332 O VAL A 21 -9.795 2.728 -2.129 1.00 0.00 O ATOM 333 CB VAL A 21 -10.711 4.842 0.232 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.036 5.379 -0.293 1.00 0.00 C ATOM 335 CG2 VAL A 21 -10.982 3.484 0.836 1.00 0.00 C ATOM 0 H VAL A 21 -9.756 6.831 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.766 4.251 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.313 5.533 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.756 5.432 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.886 6.375 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.416 4.715 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.742 3.576 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.336 2.805 0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.064 3.090 1.272 1.00 0.00 H new ATOM 345 N ALA A 22 -10.986 4.486 -2.888 1.00 0.00 N ATOM 346 CA ALA A 22 -11.618 3.785 -3.988 1.00 0.00 C ATOM 347 C ALA A 22 -10.548 3.088 -4.811 1.00 0.00 C ATOM 348 O ALA A 22 -10.694 1.914 -5.113 1.00 0.00 O ATOM 349 CB ALA A 22 -12.401 4.774 -4.849 1.00 0.00 C ATOM 0 H ALA A 22 -11.232 5.475 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.314 3.039 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.874 4.242 -5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.167 5.258 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.722 5.529 -5.245 1.00 0.00 H new ATOM 355 N THR A 23 -9.451 3.794 -5.094 1.00 0.00 N ATOM 356 CA THR A 23 -8.337 3.248 -5.854 1.00 0.00 C ATOM 357 C THR A 23 -7.647 2.161 -5.049 1.00 0.00 C ATOM 358 O THR A 23 -7.501 1.044 -5.533 1.00 0.00 O ATOM 359 CB THR A 23 -7.328 4.338 -6.228 1.00 0.00 C ATOM 360 OG1 THR A 23 -7.964 5.303 -7.038 1.00 0.00 O ATOM 361 CG2 THR A 23 -6.145 3.735 -6.983 1.00 0.00 C ATOM 0 H THR A 23 -9.315 4.761 -4.800 1.00 0.00 H new ATOM 0 HA THR A 23 -8.734 2.824 -6.777 1.00 0.00 H new ATOM 0 HB THR A 23 -6.957 4.806 -5.316 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.322 6.003 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.438 4.523 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.650 2.996 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.502 3.255 -7.894 1.00 0.00 H new ATOM 369 N ALA A 24 -7.200 2.470 -3.833 1.00 0.00 N ATOM 370 CA ALA A 24 -6.507 1.512 -2.986 1.00 0.00 C ATOM 371 C ALA A 24 -7.279 0.196 -2.880 1.00 0.00 C ATOM 372 O ALA A 24 -6.742 -0.877 -3.137 1.00 0.00 O ATOM 373 CB ALA A 24 -6.284 2.116 -1.606 1.00 0.00 C ATOM 0 H ALA A 24 -7.310 3.392 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.542 1.287 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.765 1.396 -0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.682 3.020 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.246 2.365 -1.158 1.00 0.00 H new ATOM 379 N GLN A 25 -8.556 0.272 -2.524 1.00 0.00 N ATOM 380 CA GLN A 25 -9.416 -0.893 -2.413 1.00 0.00 C ATOM 381 C GLN A 25 -9.575 -1.600 -3.753 1.00 0.00 C ATOM 382 O GLN A 25 -9.496 -2.831 -3.797 1.00 0.00 O ATOM 383 CB GLN A 25 -10.795 -0.487 -1.898 1.00 0.00 C ATOM 384 CG GLN A 25 -10.784 -0.173 -0.405 1.00 0.00 C ATOM 385 CD GLN A 25 -12.101 0.442 0.050 1.00 0.00 C ATOM 386 OE1 GLN A 25 -12.722 1.253 -0.614 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.582 0.048 1.203 1.00 0.00 N ATOM 0 H GLN A 25 -9.024 1.151 -2.303 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.944 -1.579 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.144 0.387 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.505 -1.291 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.595 -1.087 0.158 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.966 0.513 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.068 -0.631 1.765 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.470 0.420 1.539 1.00 0.00 H new ATOM 396 N ALA A 26 -9.801 -0.835 -4.824 1.00 0.00 N ATOM 397 CA ALA A 26 -9.960 -1.379 -6.163 1.00 0.00 C ATOM 398 C ALA A 26 -8.803 -2.300 -6.503 1.00 0.00 C ATOM 399 O ALA A 26 -9.045 -3.415 -6.933 1.00 0.00 O ATOM 400 CB ALA A 26 -10.054 -0.267 -7.201 1.00 0.00 C ATOM 0 H ALA A 26 -9.878 0.181 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.889 -1.949 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.172 -0.704 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.913 0.367 -6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.144 0.333 -7.175 1.00 0.00 H new ATOM 406 N GLN A 27 -7.574 -1.897 -6.203 1.00 0.00 N ATOM 407 CA GLN A 27 -6.387 -2.691 -6.491 1.00 0.00 C ATOM 408 C GLN A 27 -6.300 -3.902 -5.572 1.00 0.00 C ATOM 409 O GLN A 27 -6.124 -5.029 -6.034 1.00 0.00 O ATOM 410 CB GLN A 27 -5.140 -1.837 -6.314 1.00 0.00 C ATOM 411 CG GLN A 27 -5.171 -0.543 -7.122 1.00 0.00 C ATOM 412 CD GLN A 27 -4.962 -0.732 -8.603 1.00 0.00 C ATOM 413 OE1 GLN A 27 -4.575 -1.778 -9.083 1.00 0.00 O ATOM 414 NE2 GLN A 27 -5.203 0.317 -9.354 1.00 0.00 N ATOM 0 H GLN A 27 -7.372 -1.005 -5.751 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.456 -3.040 -7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.022 -1.594 -5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.266 -2.419 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.131 -0.051 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.401 0.128 -6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.528 1.185 -8.928 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.066 0.264 -10.363 1.00 0.00 H new ATOM 423 N ALA A 28 -6.496 -3.687 -4.268 1.00 0.00 N ATOM 424 CA ALA A 28 -6.455 -4.757 -3.280 1.00 0.00 C ATOM 425 C ALA A 28 -7.384 -5.901 -3.675 1.00 0.00 C ATOM 426 O ALA A 28 -6.972 -7.058 -3.758 1.00 0.00 O ATOM 427 CB ALA A 28 -6.852 -4.215 -1.908 1.00 0.00 C ATOM 0 H ALA A 28 -6.687 -2.766 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.436 -5.142 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.819 -5.021 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.158 -3.428 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.862 -3.809 -1.956 1.00 0.00 H new ATOM 433 N ARG A 29 -8.658 -5.572 -3.914 1.00 0.00 N ATOM 434 CA ARG A 29 -9.665 -6.556 -4.304 1.00 0.00 C ATOM 435 C ARG A 29 -9.344 -7.144 -5.666 1.00 0.00 C ATOM 436 O ARG A 29 -9.399 -8.359 -5.826 1.00 0.00 O ATOM 437 CB ARG A 29 -11.056 -5.919 -4.343 1.00 0.00 C ATOM 438 CG ARG A 29 -11.475 -5.327 -2.996 1.00 0.00 C ATOM 439 CD ARG A 29 -12.111 -6.390 -2.101 1.00 0.00 C ATOM 440 NE ARG A 29 -13.513 -6.637 -2.474 1.00 0.00 N ATOM 441 CZ ARG A 29 -14.538 -5.910 -2.063 1.00 0.00 C ATOM 442 NH1 ARG A 29 -14.366 -4.876 -1.279 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.746 -6.203 -2.454 1.00 0.00 N ATOM 0 H ARG A 29 -9.016 -4.620 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.656 -7.353 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.070 -5.135 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.786 -6.669 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.605 -4.900 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.182 -4.513 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.544 -7.318 -2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.061 -6.069 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.708 -7.424 -3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.428 -4.618 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.170 -4.328 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.902 -6.994 -3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.535 -5.641 -2.136 1.00 0.00 H new ATOM 457 N LYS A 30 -9.014 -6.287 -6.640 1.00 0.00 N ATOM 458 CA LYS A 30 -8.661 -6.722 -7.992 1.00 0.00 C ATOM 459 C LYS A 30 -7.594 -7.809 -7.978 1.00 0.00 C ATOM 460 O LYS A 30 -7.685 -8.800 -8.712 1.00 0.00 O ATOM 461 CB LYS A 30 -8.161 -5.533 -8.826 1.00 0.00 C ATOM 462 CG LYS A 30 -9.287 -4.760 -9.521 1.00 0.00 C ATOM 463 CD LYS A 30 -9.996 -5.627 -10.560 1.00 0.00 C ATOM 464 CE LYS A 30 -10.955 -4.788 -11.398 1.00 0.00 C ATOM 465 NZ LYS A 30 -11.509 -5.579 -12.522 1.00 0.00 N ATOM 0 H LYS A 30 -8.985 -5.276 -6.511 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.565 -7.134 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.608 -4.852 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.461 -5.896 -9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.007 -4.416 -8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.878 -3.872 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.260 -6.102 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.545 -6.426 -10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.768 -4.423 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.434 -3.913 -11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.158 -4.986 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.733 -5.907 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.025 -6.400 -12.147 1.00 0.00 H new ATOM 479 N ALA A 31 -6.569 -7.618 -7.154 1.00 0.00 N ATOM 480 CA ALA A 31 -5.511 -8.591 -6.998 1.00 0.00 C ATOM 481 C ALA A 31 -5.971 -9.832 -6.245 1.00 0.00 C ATOM 482 O ALA A 31 -5.615 -10.946 -6.646 1.00 0.00 O ATOM 483 CB ALA A 31 -4.337 -7.937 -6.300 1.00 0.00 C ATOM 0 H ALA A 31 -6.455 -6.783 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.209 -8.930 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.535 -8.665 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.979 -7.099 -6.898 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.651 -7.576 -5.321 1.00 0.00 H new ATOM 489 N GLY A 32 -6.765 -9.635 -5.195 1.00 0.00 N ATOM 490 CA GLY A 32 -7.271 -10.722 -4.385 1.00 0.00 C ATOM 491 C GLY A 32 -6.244 -11.188 -3.366 1.00 0.00 C ATOM 492 O GLY A 32 -5.234 -10.527 -3.115 1.00 0.00 O ATOM 0 H GLY A 32 -7.072 -8.712 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.176 -10.401 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.550 -11.556 -5.029 1.00 0.00 H new ATOM 496 N LEU A 33 -6.503 -12.347 -2.771 1.00 0.00 N ATOM 497 CA LEU A 33 -5.625 -12.931 -1.757 1.00 0.00 C ATOM 498 C LEU A 33 -4.815 -14.093 -2.332 1.00 0.00 C ATOM 499 O LEU A 33 -4.623 -15.119 -1.676 1.00 0.00 O ATOM 500 CB LEU A 33 -6.442 -13.394 -0.550 1.00 0.00 C ATOM 501 CG LEU A 33 -7.428 -12.364 0.016 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.637 -13.075 0.606 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.765 -11.525 1.091 1.00 0.00 C ATOM 0 H LEU A 33 -7.328 -12.911 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.924 -12.162 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.999 -14.287 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.753 -13.685 0.243 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.747 -11.711 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.333 -12.338 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.132 -13.657 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.313 -13.740 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.480 -10.800 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.427 -12.172 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.910 -10.999 0.666 1.00 0.00 H new ATOM 515 N THR A 34 -4.366 -13.950 -3.576 1.00 0.00 N ATOM 516 CA THR A 34 -3.595 -14.990 -4.244 1.00 0.00 C ATOM 517 C THR A 34 -2.636 -14.379 -5.253 1.00 0.00 C ATOM 518 O THR A 34 -2.965 -13.447 -5.991 1.00 0.00 O ATOM 519 CB THR A 34 -4.518 -15.993 -4.955 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.531 -16.484 -4.106 1.00 0.00 O ATOM 521 CG2 THR A 34 -3.715 -17.181 -5.481 1.00 0.00 C ATOM 0 H THR A 34 -4.525 -13.118 -4.144 1.00 0.00 H new ATOM 0 HA THR A 34 -3.025 -15.520 -3.481 1.00 0.00 H new ATOM 0 HB THR A 34 -4.984 -15.452 -5.778 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.094 -17.116 -4.600 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.385 -17.880 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.965 -16.828 -6.189 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.221 -17.683 -4.649 1.00 0.00 H new ATOM 529 N THR A 35 -1.436 -14.936 -5.346 1.00 0.00 N ATOM 530 CA THR A 35 -0.403 -14.489 -6.282 1.00 0.00 C ATOM 531 C THR A 35 0.529 -15.631 -6.665 1.00 0.00 C ATOM 532 O THR A 35 0.472 -16.704 -6.071 1.00 0.00 O ATOM 533 CB THR A 35 0.403 -13.337 -5.679 1.00 0.00 C ATOM 534 OG1 THR A 35 1.243 -12.799 -6.677 1.00 0.00 O ATOM 535 CG2 THR A 35 1.214 -13.820 -4.478 1.00 0.00 C ATOM 0 H THR A 35 -1.145 -15.723 -4.766 1.00 0.00 H new ATOM 0 HA THR A 35 -0.903 -14.140 -7.185 1.00 0.00 H new ATOM 0 HB THR A 35 -0.274 -12.560 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.874 -12.170 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.781 -12.987 -4.063 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.539 -14.214 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.902 -14.604 -4.795 1.00 0.00 H new ATOM 543 N GLY A 36 1.370 -15.390 -7.663 1.00 0.00 N ATOM 544 CA GLY A 36 2.341 -16.374 -8.114 1.00 0.00 C ATOM 545 C GLY A 36 2.613 -16.300 -9.604 1.00 0.00 C ATOM 546 O GLY A 36 2.838 -17.320 -10.236 1.00 0.00 O ATOM 0 H GLY A 36 1.397 -14.511 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.276 -16.229 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.980 -17.372 -7.865 1.00 0.00 H new ATOM 550 N LYS A 37 2.537 -15.092 -10.165 1.00 0.00 N ATOM 551 CA LYS A 37 2.752 -14.844 -11.590 1.00 0.00 C ATOM 552 C LYS A 37 3.892 -13.866 -11.839 1.00 0.00 C ATOM 553 O LYS A 37 4.756 -14.098 -12.668 1.00 0.00 O ATOM 554 CB LYS A 37 1.463 -14.352 -12.249 1.00 0.00 C ATOM 555 CG LYS A 37 0.745 -13.248 -11.462 1.00 0.00 C ATOM 556 CD LYS A 37 -0.273 -13.836 -10.485 1.00 0.00 C ATOM 557 CE LYS A 37 -1.389 -12.844 -10.203 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.321 -13.370 -9.176 1.00 0.00 N ATOM 0 H LYS A 37 2.321 -14.248 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 37 3.040 -15.792 -12.044 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.696 -13.981 -13.247 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.785 -15.196 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.477 -12.654 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.241 -12.574 -12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.692 -14.753 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.224 -14.105 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.964 -11.900 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.936 -12.635 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.289 -13.376 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.044 -14.339 -8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.285 -12.764 -8.332 1.00 0.00 H new ATOM 572 N SER A 38 3.952 -12.820 -11.016 1.00 0.00 N ATOM 573 CA SER A 38 4.980 -11.795 -11.118 1.00 0.00 C ATOM 574 C SER A 38 5.540 -11.418 -9.760 1.00 0.00 C ATOM 575 O SER A 38 6.757 -11.317 -9.592 1.00 0.00 O ATOM 576 CB SER A 38 4.410 -10.569 -11.807 1.00 0.00 C ATOM 577 OG SER A 38 3.577 -9.840 -10.924 1.00 0.00 O ATOM 0 H SER A 38 3.286 -12.663 -10.260 1.00 0.00 H new ATOM 0 HA SER A 38 5.802 -12.201 -11.708 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.222 -9.932 -12.157 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.840 -10.872 -12.686 1.00 0.00 H new ATOM 0 HG SER A 38 2.644 -9.923 -11.211 1.00 0.00 H new ATOM 583 N GLY A 39 4.656 -11.249 -8.777 1.00 0.00 N ATOM 584 CA GLY A 39 5.053 -10.862 -7.443 1.00 0.00 C ATOM 585 C GLY A 39 3.892 -10.360 -6.621 1.00 0.00 C ATOM 586 O GLY A 39 3.817 -10.700 -5.451 1.00 0.00 O ATOM 0 H GLY A 39 3.651 -11.378 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.509 -11.715 -6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.814 -10.084 -7.505 1.00 0.00 H new ATOM 590 N ASP A 40 2.997 -9.585 -7.227 1.00 0.00 N ATOM 591 CA ASP A 40 1.824 -9.044 -6.568 1.00 0.00 C ATOM 592 C ASP A 40 0.531 -9.807 -6.918 1.00 0.00 C ATOM 593 O ASP A 40 0.402 -10.413 -7.987 1.00 0.00 O ATOM 594 CB ASP A 40 1.660 -7.556 -6.856 1.00 0.00 C ATOM 595 CG ASP A 40 1.727 -7.255 -8.331 1.00 0.00 C ATOM 596 OD1 ASP A 40 0.758 -7.610 -9.024 1.00 0.00 O ATOM 597 OD2 ASP A 40 2.802 -6.742 -8.708 1.00 0.00 O ATOM 0 H ASP A 40 3.073 -9.314 -8.207 1.00 0.00 H new ATOM 0 HA ASP A 40 1.993 -9.177 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.704 -7.213 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.439 -6.998 -6.337 1.00 0.00 H new ATOM 602 N PRO A 41 -0.433 -9.813 -5.982 1.00 0.00 N ATOM 603 CA PRO A 41 -0.309 -9.211 -4.652 1.00 0.00 C ATOM 604 C PRO A 41 0.699 -9.912 -3.757 1.00 0.00 C ATOM 605 O PRO A 41 1.270 -10.913 -4.154 1.00 0.00 O ATOM 606 CB PRO A 41 -1.690 -9.308 -4.050 1.00 0.00 C ATOM 607 CG PRO A 41 -2.315 -10.509 -4.736 1.00 0.00 C ATOM 608 CD PRO A 41 -1.705 -10.491 -6.133 1.00 0.00 C ATOM 0 HA PRO A 41 0.058 -8.188 -4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.644 -9.446 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.267 -8.401 -4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.083 -11.435 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.401 -10.428 -4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.569 -11.502 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.350 -9.966 -6.838 1.00 0.00 H new ATOM 616 N HIS A 42 0.948 -9.385 -2.566 1.00 0.00 N ATOM 617 CA HIS A 42 1.913 -9.968 -1.633 1.00 0.00 C ATOM 618 C HIS A 42 1.286 -10.133 -0.260 1.00 0.00 C ATOM 619 O HIS A 42 0.445 -9.335 0.143 1.00 0.00 O ATOM 620 CB HIS A 42 3.178 -9.110 -1.549 1.00 0.00 C ATOM 621 CG HIS A 42 3.463 -8.266 -2.759 1.00 0.00 C ATOM 622 ND1 HIS A 42 2.868 -7.054 -3.020 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.320 -8.552 -3.776 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.359 -6.603 -4.179 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.229 -7.507 -4.671 1.00 0.00 N ATOM 0 H HIS A 42 0.490 -8.543 -2.216 1.00 0.00 H new ATOM 0 HA HIS A 42 2.198 -10.952 -2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.096 -8.456 -0.681 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.031 -9.766 -1.375 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.177 -6.584 -2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.948 -9.426 -3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.100 -5.664 -4.646 1.00 0.00 H new ATOM 634 N ARG A 43 1.673 -11.180 0.458 1.00 0.00 N ATOM 635 CA ARG A 43 1.153 -11.443 1.799 1.00 0.00 C ATOM 636 C ARG A 43 1.786 -10.493 2.810 1.00 0.00 C ATOM 637 O ARG A 43 2.997 -10.309 2.793 1.00 0.00 O ATOM 638 CB ARG A 43 1.442 -12.895 2.180 1.00 0.00 C ATOM 639 CG ARG A 43 0.443 -13.873 1.567 1.00 0.00 C ATOM 640 CD ARG A 43 -0.845 -13.925 2.390 1.00 0.00 C ATOM 641 NE ARG A 43 -0.677 -14.668 3.637 1.00 0.00 N ATOM 642 CZ ARG A 43 -0.767 -15.979 3.766 1.00 0.00 C ATOM 643 NH1 ARG A 43 -1.006 -16.739 2.732 1.00 0.00 N ATOM 644 NH2 ARG A 43 -0.614 -16.545 4.931 1.00 0.00 N ATOM 0 H ARG A 43 2.352 -11.868 0.132 1.00 0.00 H new ATOM 0 HA ARG A 43 0.076 -11.278 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.449 -13.158 1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.421 -12.993 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.214 -13.572 0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.887 -14.867 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.170 -12.910 2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.634 -14.388 1.797 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.473 -14.129 4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.126 -16.322 1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.073 -17.750 2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.423 -15.974 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.686 -17.559 5.019 1.00 0.00 H new ATOM 658 N TYR A 44 0.968 -9.943 3.690 1.00 0.00 N ATOM 659 CA TYR A 44 1.421 -9.054 4.744 1.00 0.00 C ATOM 660 C TYR A 44 1.249 -9.724 6.099 1.00 0.00 C ATOM 661 O TYR A 44 0.212 -10.330 6.380 1.00 0.00 O ATOM 662 CB TYR A 44 0.674 -7.724 4.661 1.00 0.00 C ATOM 663 CG TYR A 44 1.061 -6.715 5.714 1.00 0.00 C ATOM 664 CD1 TYR A 44 0.796 -6.959 7.072 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.690 -5.520 5.336 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.200 -6.060 8.055 1.00 0.00 C ATOM 667 CE2 TYR A 44 2.072 -4.589 6.317 1.00 0.00 C ATOM 668 CZ TYR A 44 1.838 -4.876 7.678 1.00 0.00 C ATOM 669 OH TYR A 44 2.148 -4.004 8.656 1.00 0.00 O ATOM 0 H TYR A 44 -0.039 -10.103 3.693 1.00 0.00 H new ATOM 0 HA TYR A 44 2.483 -8.842 4.616 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.847 -7.287 3.678 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.396 -7.918 4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.271 -7.858 7.358 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.881 -5.315 4.293 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.022 -6.276 9.098 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.542 -3.660 6.031 1.00 0.00 H new ATOM 0 HH TYR A 44 3.096 -4.096 8.888 1.00 0.00 H new ATOM 679 N PHE A 45 2.222 -9.528 6.982 1.00 0.00 N ATOM 680 CA PHE A 45 2.158 -10.027 8.349 1.00 0.00 C ATOM 681 C PHE A 45 2.716 -9.010 9.319 1.00 0.00 C ATOM 682 O PHE A 45 3.882 -8.655 9.162 1.00 0.00 O ATOM 683 CB PHE A 45 2.960 -11.321 8.437 1.00 0.00 C ATOM 684 CG PHE A 45 2.480 -12.380 7.485 1.00 0.00 C ATOM 685 CD1 PHE A 45 1.351 -13.144 7.805 1.00 0.00 C ATOM 686 CD2 PHE A 45 3.150 -12.580 6.269 1.00 0.00 C ATOM 687 CE1 PHE A 45 0.890 -14.128 6.922 1.00 0.00 C ATOM 688 CE2 PHE A 45 2.703 -13.567 5.388 1.00 0.00 C ATOM 689 CZ PHE A 45 1.587 -14.338 5.721 1.00 0.00 C ATOM 0 H PHE A 45 3.079 -9.017 6.769 1.00 0.00 H new ATOM 0 HA PHE A 45 1.117 -10.212 8.614 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.009 -11.106 8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.906 -11.706 9.455 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.833 -12.973 8.737 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.007 -11.974 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.015 -14.714 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.218 -13.733 4.453 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.254 -15.110 5.043 1.00 0.00 H new ATOM 699 N ALA A 46 1.882 -8.549 10.262 1.00 0.00 N ATOM 700 CA ALA A 46 2.267 -7.592 11.298 1.00 0.00 C ATOM 701 C ALA A 46 3.734 -7.750 11.709 1.00 0.00 C ATOM 702 O ALA A 46 4.105 -8.647 12.462 1.00 0.00 O ATOM 703 CB ALA A 46 1.367 -7.736 12.520 1.00 0.00 C ATOM 0 H ALA A 46 0.906 -8.838 10.323 1.00 0.00 H new ATOM 0 HA ALA A 46 2.145 -6.595 10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.668 -7.016 13.281 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.332 -7.550 12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.456 -8.746 12.921 1.00 0.00 H new ATOM 709 N GLY A 47 4.581 -6.878 11.169 1.00 0.00 N ATOM 710 CA GLY A 47 6.016 -6.991 11.379 1.00 0.00 C ATOM 711 C GLY A 47 6.747 -5.709 11.060 1.00 0.00 C ATOM 712 O GLY A 47 7.732 -5.387 11.720 1.00 0.00 O ATOM 0 H GLY A 47 4.298 -6.090 10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.208 -7.267 12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.409 -7.795 10.757 1.00 0.00 H new ATOM 716 N ASP A 48 6.198 -4.897 10.154 1.00 0.00 N ATOM 717 CA ASP A 48 6.783 -3.604 9.789 1.00 0.00 C ATOM 718 C ASP A 48 6.450 -2.535 10.829 1.00 0.00 C ATOM 719 O ASP A 48 6.377 -1.351 10.545 1.00 0.00 O ATOM 720 CB ASP A 48 6.328 -3.189 8.391 1.00 0.00 C ATOM 721 CG ASP A 48 7.210 -2.076 7.801 1.00 0.00 C ATOM 722 OD1 ASP A 48 8.273 -2.439 7.264 1.00 0.00 O ATOM 723 OD2 ASP A 48 6.858 -0.878 7.861 1.00 0.00 O ATOM 0 H ASP A 48 5.337 -5.116 9.653 1.00 0.00 H new ATOM 0 HA ASP A 48 7.868 -3.709 9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.350 -4.056 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.294 -2.847 8.434 1.00 0.00 H new ATOM 728 N HIS A 49 6.181 -2.935 12.075 1.00 0.00 N ATOM 729 CA HIS A 49 5.817 -2.018 13.148 1.00 0.00 C ATOM 730 C HIS A 49 4.576 -1.204 12.774 1.00 0.00 C ATOM 731 O HIS A 49 4.538 0.019 12.908 1.00 0.00 O ATOM 732 CB HIS A 49 7.006 -1.099 13.453 1.00 0.00 C ATOM 733 CG HIS A 49 8.161 -1.757 14.146 1.00 0.00 C ATOM 734 ND1 HIS A 49 8.926 -1.127 15.097 1.00 0.00 N ATOM 735 CD2 HIS A 49 8.651 -3.021 13.965 1.00 0.00 C ATOM 736 CE1 HIS A 49 9.871 -1.993 15.500 1.00 0.00 C ATOM 737 NE2 HIS A 49 9.720 -3.153 14.827 1.00 0.00 N ATOM 0 H HIS A 49 6.211 -3.912 12.365 1.00 0.00 H new ATOM 0 HA HIS A 49 5.572 -2.592 14.042 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.362 -0.669 12.517 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.656 -0.272 14.071 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.275 -3.768 13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.629 -1.793 16.243 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.298 -3.986 14.937 1.00 0.00 H new ATOM 746 N ILE A 50 3.509 -1.909 12.399 1.00 0.00 N ATOM 747 CA ILE A 50 2.279 -1.265 11.946 1.00 0.00 C ATOM 748 C ILE A 50 1.086 -2.008 12.506 1.00 0.00 C ATOM 749 O ILE A 50 0.805 -3.137 12.118 1.00 0.00 O ATOM 750 CB ILE A 50 2.160 -1.179 10.417 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.519 -1.047 9.740 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.274 0.016 10.041 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.466 -1.102 8.226 1.00 0.00 C ATOM 0 H ILE A 50 3.473 -2.928 12.400 1.00 0.00 H new ATOM 0 HA ILE A 50 2.307 -0.240 12.315 1.00 0.00 H new ATOM 0 HB ILE A 50 1.710 -2.108 10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.973 -0.103 10.043 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.170 -1.844 10.099 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.189 0.078 8.956 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.283 -0.115 10.476 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.720 0.934 10.423 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.474 -1.001 7.823 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.043 -2.056 7.911 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.843 -0.289 7.854 1.00 0.00 H new ATOM 765 N ARG A 51 0.393 -1.358 13.438 1.00 0.00 N ATOM 766 CA ARG A 51 -0.803 -1.928 14.053 1.00 0.00 C ATOM 767 C ARG A 51 -2.065 -1.534 13.326 1.00 0.00 C ATOM 768 O ARG A 51 -3.059 -2.225 13.419 1.00 0.00 O ATOM 769 CB ARG A 51 -0.882 -1.506 15.518 1.00 0.00 C ATOM 770 CG ARG A 51 -1.253 -0.041 15.710 1.00 0.00 C ATOM 771 CD ARG A 51 -0.873 0.442 17.099 1.00 0.00 C ATOM 772 NE ARG A 51 0.583 0.579 17.249 1.00 0.00 N ATOM 773 CZ ARG A 51 1.219 0.508 18.402 1.00 0.00 C ATOM 774 NH1 ARG A 51 0.566 0.369 19.523 1.00 0.00 N ATOM 775 NH2 ARG A 51 2.516 0.640 18.441 1.00 0.00 N ATOM 0 H ARG A 51 0.641 -0.432 13.785 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.722 -3.013 13.987 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.617 -2.128 16.028 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.080 -1.694 15.994 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.748 0.567 14.959 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.324 0.089 15.557 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.351 1.402 17.293 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.251 -0.258 17.844 1.00 0.00 H new ATOM 0 HE ARG A 51 1.137 0.739 16.407 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.452 0.314 19.516 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.074 0.316 20.406 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.039 0.798 17.579 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.008 0.585 19.333 1.00 0.00 H new ATOM 789 N TRP A 52 -2.029 -0.381 12.643 1.00 0.00 N ATOM 790 CA TRP A 52 -3.162 0.139 11.883 1.00 0.00 C ATOM 791 C TRP A 52 -4.316 0.536 12.779 1.00 0.00 C ATOM 792 O TRP A 52 -5.470 0.375 12.409 1.00 0.00 O ATOM 793 CB TRP A 52 -3.605 -0.886 10.842 1.00 0.00 C ATOM 794 CG TRP A 52 -2.545 -1.279 9.895 1.00 0.00 C ATOM 795 CD1 TRP A 52 -1.546 -2.162 10.110 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.388 -0.793 8.553 1.00 0.00 C ATOM 797 NE1 TRP A 52 -0.777 -2.253 8.974 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.247 -1.427 7.989 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.097 0.129 7.770 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -0.802 -1.154 6.701 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.652 0.401 6.479 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.542 -0.251 5.935 1.00 0.00 C ATOM 0 H TRP A 52 -1.204 0.217 12.606 1.00 0.00 H new ATOM 0 HA TRP A 52 -2.835 1.045 11.373 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.967 -1.777 11.356 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -4.446 -0.478 10.281 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.378 -2.708 11.026 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.039 -2.858 8.878 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.975 0.621 8.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 0.086 -1.624 6.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.177 1.133 5.884 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.254 -0.055 4.913 1.00 0.00 H new ATOM 813 N GLY A 53 -3.997 1.049 13.975 1.00 0.00 N ATOM 814 CA GLY A 53 -5.004 1.397 14.976 1.00 0.00 C ATOM 815 C GLY A 53 -6.078 0.324 15.155 1.00 0.00 C ATOM 816 O GLY A 53 -7.182 0.641 15.582 1.00 0.00 O ATOM 0 H GLY A 53 -3.038 1.232 14.271 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.510 1.570 15.932 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.481 2.334 14.690 1.00 0.00 H new ATOM 820 N VAL A 54 -5.760 -0.929 14.826 1.00 0.00 N ATOM 821 CA VAL A 54 -6.702 -2.034 14.860 1.00 0.00 C ATOM 822 C VAL A 54 -6.043 -3.231 15.513 1.00 0.00 C ATOM 823 O VAL A 54 -4.864 -3.463 15.354 1.00 0.00 O ATOM 824 CB VAL A 54 -7.240 -2.376 13.457 1.00 0.00 C ATOM 825 CG1 VAL A 54 -6.187 -3.024 12.574 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.448 -3.315 13.571 1.00 0.00 C ATOM 0 H VAL A 54 -4.825 -1.202 14.525 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.568 -1.738 15.452 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.534 -1.435 12.992 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.617 -3.245 11.597 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.344 -2.344 12.454 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.843 -3.949 13.037 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.821 -3.551 12.574 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.148 -4.235 14.073 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.235 -2.828 14.147 1.00 0.00 H new ATOM 836 N ASN A 55 -6.816 -4.043 16.210 1.00 0.00 N ATOM 837 CA ASN A 55 -6.315 -5.265 16.807 1.00 0.00 C ATOM 838 C ASN A 55 -6.254 -6.405 15.807 1.00 0.00 C ATOM 839 O ASN A 55 -5.287 -7.142 15.815 1.00 0.00 O ATOM 840 CB ASN A 55 -7.225 -5.652 17.965 1.00 0.00 C ATOM 841 CG ASN A 55 -6.903 -4.847 19.200 1.00 0.00 C ATOM 842 OD1 ASN A 55 -6.018 -5.168 19.965 1.00 0.00 O ATOM 843 ND2 ASN A 55 -7.654 -3.793 19.422 1.00 0.00 N ATOM 0 H ASN A 55 -7.808 -3.873 16.378 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.299 -5.082 17.156 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.266 -5.491 17.683 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.113 -6.715 18.180 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.500 -3.223 20.253 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.392 -3.545 18.763 1.00 0.00 H new ATOM 850 N ASN A 56 -7.270 -6.550 14.944 1.00 0.00 N ATOM 851 CA ASN A 56 -7.304 -7.608 13.933 1.00 0.00 C ATOM 852 C ASN A 56 -5.977 -7.673 13.157 1.00 0.00 C ATOM 853 O ASN A 56 -5.423 -8.751 12.949 1.00 0.00 O ATOM 854 CB ASN A 56 -8.493 -7.372 12.985 1.00 0.00 C ATOM 855 CG ASN A 56 -8.539 -8.365 11.823 1.00 0.00 C ATOM 856 OD1 ASN A 56 -7.591 -8.959 11.357 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.706 -8.605 11.304 1.00 0.00 N ATOM 0 H ASN A 56 -8.086 -5.938 14.930 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.434 -8.570 14.429 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.421 -7.442 13.552 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.438 -6.359 12.587 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.796 -9.270 10.536 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.532 -8.128 11.664 1.00 0.00 H new ATOM 864 N CYS A 57 -5.491 -6.502 12.745 1.00 0.00 N ATOM 865 CA CYS A 57 -4.239 -6.418 12.016 1.00 0.00 C ATOM 866 C CYS A 57 -3.035 -6.417 12.950 1.00 0.00 C ATOM 867 O CYS A 57 -1.993 -6.942 12.580 1.00 0.00 O ATOM 868 CB CYS A 57 -4.233 -5.166 11.143 1.00 0.00 C ATOM 869 SG CYS A 57 -5.626 -5.090 9.966 1.00 0.00 S ATOM 0 H CYS A 57 -5.948 -5.605 12.906 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.159 -7.304 11.385 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.262 -4.285 11.785 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.296 -5.125 10.587 1.00 0.00 H new ATOM 874 N ASP A 58 -3.188 -5.879 14.157 1.00 0.00 N ATOM 875 CA ASP A 58 -2.132 -5.864 15.172 1.00 0.00 C ATOM 876 C ASP A 58 -2.046 -7.177 15.956 1.00 0.00 C ATOM 877 O ASP A 58 -1.738 -7.210 17.147 1.00 0.00 O ATOM 878 CB ASP A 58 -2.336 -4.700 16.133 1.00 0.00 C ATOM 879 CG ASP A 58 -1.064 -4.359 16.916 1.00 0.00 C ATOM 880 OD1 ASP A 58 0.036 -4.451 16.320 1.00 0.00 O ATOM 881 OD2 ASP A 58 -1.198 -3.799 18.028 1.00 0.00 O ATOM 0 H ASP A 58 -4.055 -5.437 14.463 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.188 -5.742 14.640 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.661 -3.823 15.573 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.135 -4.946 16.832 1.00 0.00 H new ATOM 886 N LYS A 59 -2.433 -8.283 15.318 1.00 0.00 N ATOM 887 CA LYS A 59 -2.374 -9.603 15.927 1.00 0.00 C ATOM 888 C LYS A 59 -0.998 -10.238 15.734 1.00 0.00 C ATOM 889 O LYS A 59 -0.105 -9.672 15.120 1.00 0.00 O ATOM 890 CB LYS A 59 -3.485 -10.479 15.350 1.00 0.00 C ATOM 891 CG LYS A 59 -4.833 -10.250 16.015 1.00 0.00 C ATOM 892 CD LYS A 59 -5.748 -11.459 15.824 1.00 0.00 C ATOM 893 CE LYS A 59 -5.694 -12.373 17.052 1.00 0.00 C ATOM 894 NZ LYS A 59 -4.639 -13.406 16.927 1.00 0.00 N ATOM 0 H LYS A 59 -2.795 -8.284 14.365 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.529 -9.508 17.002 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.576 -10.283 14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.206 -11.527 15.459 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.691 -10.061 17.079 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.304 -9.362 15.594 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.772 -11.125 15.657 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.446 -12.015 14.936 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.510 -11.773 17.943 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.661 -12.857 17.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.754 -14.113 17.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.718 -13.872 16.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.704 -12.959 17.011 1.00 0.00 H new ATOM 908 N ALA A 60 -0.864 -11.471 16.225 1.00 0.00 N ATOM 909 CA ALA A 60 0.369 -12.235 16.084 1.00 0.00 C ATOM 910 C ALA A 60 0.332 -13.167 14.872 1.00 0.00 C ATOM 911 O ALA A 60 1.229 -13.162 14.044 1.00 0.00 O ATOM 912 CB ALA A 60 0.611 -13.028 17.365 1.00 0.00 C ATOM 0 H ALA A 60 -1.603 -11.962 16.728 1.00 0.00 H new ATOM 0 HA ALA A 60 1.190 -11.537 15.918 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.532 -13.603 17.268 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.698 -12.341 18.207 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.224 -13.707 17.536 1.00 0.00 H new ATOM 918 N ASP A 61 -0.756 -13.929 14.744 1.00 0.00 N ATOM 919 CA ASP A 61 -0.935 -14.885 13.647 1.00 0.00 C ATOM 920 C ASP A 61 -1.944 -14.342 12.637 1.00 0.00 C ATOM 921 O ASP A 61 -2.868 -15.031 12.216 1.00 0.00 O ATOM 922 CB ASP A 61 -1.361 -16.254 14.195 1.00 0.00 C ATOM 923 CG ASP A 61 -0.167 -17.125 14.548 1.00 0.00 C ATOM 924 OD1 ASP A 61 0.575 -17.490 13.611 1.00 0.00 O ATOM 925 OD2 ASP A 61 -0.044 -17.416 15.757 1.00 0.00 O ATOM 0 H ASP A 61 -1.539 -13.901 15.398 1.00 0.00 H new ATOM 0 HA ASP A 61 0.015 -15.020 13.130 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.981 -16.113 15.081 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.976 -16.765 13.454 1.00 0.00 H new ATOM 930 N ALA A 62 -1.894 -13.042 12.359 1.00 0.00 N ATOM 931 CA ALA A 62 -2.793 -12.435 11.390 1.00 0.00 C ATOM 932 C ALA A 62 -2.373 -12.740 9.953 1.00 0.00 C ATOM 933 O ALA A 62 -1.236 -13.115 9.688 1.00 0.00 O ATOM 934 CB ALA A 62 -2.846 -10.929 11.620 1.00 0.00 C ATOM 0 H ALA A 62 -1.239 -12.391 12.793 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.785 -12.864 11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.520 -10.474 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.209 -10.727 12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.848 -10.508 11.503 1.00 0.00 H new ATOM 940 N ILE A 63 -3.279 -12.513 9.004 1.00 0.00 N ATOM 941 CA ILE A 63 -3.020 -12.771 7.590 1.00 0.00 C ATOM 942 C ILE A 63 -3.496 -11.593 6.769 1.00 0.00 C ATOM 943 O ILE A 63 -4.653 -11.541 6.361 1.00 0.00 O ATOM 944 CB ILE A 63 -3.687 -14.073 7.123 1.00 0.00 C ATOM 945 CG1 ILE A 63 -3.163 -15.292 7.888 1.00 0.00 C ATOM 946 CG2 ILE A 63 -3.426 -14.284 5.625 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.923 -15.522 9.190 1.00 0.00 C ATOM 0 H ILE A 63 -4.212 -12.146 9.194 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.946 -12.896 7.449 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.755 -13.977 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.247 -16.178 7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.104 -15.155 8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.902 -15.209 5.300 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.838 -13.447 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.352 -14.346 5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.517 -16.397 9.699 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.818 -14.648 9.832 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.978 -15.687 8.971 1.00 0.00 H new ATOM 959 N LEU A 64 -2.619 -10.636 6.540 1.00 0.00 N ATOM 960 CA LEU A 64 -2.923 -9.480 5.714 1.00 0.00 C ATOM 961 C LEU A 64 -2.309 -9.612 4.319 1.00 0.00 C ATOM 962 O LEU A 64 -1.731 -10.643 3.962 1.00 0.00 O ATOM 963 CB LEU A 64 -2.464 -8.204 6.428 1.00 0.00 C ATOM 964 CG LEU A 64 -3.479 -7.560 7.368 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.718 -8.441 8.582 1.00 0.00 C ATOM 966 CD2 LEU A 64 -2.972 -6.190 7.808 1.00 0.00 C ATOM 0 H LEU A 64 -1.673 -10.636 6.921 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.002 -9.422 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.565 -8.435 7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.182 -7.470 5.673 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.424 -7.443 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.445 -7.964 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.101 -9.409 8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.780 -8.583 9.119 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.698 -5.732 8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.020 -6.304 8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.835 -5.555 6.933 1.00 0.00 H new ATOM 978 N TRP A 65 -2.429 -8.561 3.517 1.00 0.00 N ATOM 979 CA TRP A 65 -1.841 -8.479 2.198 1.00 0.00 C ATOM 980 C TRP A 65 -1.328 -7.091 1.862 1.00 0.00 C ATOM 981 O TRP A 65 -1.417 -6.182 2.663 1.00 0.00 O ATOM 982 CB TRP A 65 -2.883 -8.926 1.209 1.00 0.00 C ATOM 983 CG TRP A 65 -3.091 -10.388 1.133 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.856 -11.137 1.954 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.493 -11.302 0.189 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.756 -12.461 1.585 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.948 -12.609 0.489 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.614 -11.161 -0.895 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -2.542 -13.724 -0.240 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -1.182 -12.274 -1.626 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.650 -13.553 -1.303 1.00 0.00 C ATOM 0 H TRP A 65 -2.952 -7.725 3.778 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.964 -9.125 2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.831 -8.453 1.465 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.602 -8.563 0.220 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.452 -10.759 2.771 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.223 -13.230 2.065 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.265 -10.177 -1.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.911 -14.707 0.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.486 -12.145 -2.441 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -1.322 -14.408 -1.875 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.781 -6.912 0.674 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.241 -5.650 0.216 1.00 0.00 C ATOM 1004 C GLU A 66 -0.208 -5.594 -1.312 1.00 0.00 C ATOM 1005 O GLU A 66 0.259 -6.521 -1.992 1.00 0.00 O ATOM 1006 CB GLU A 66 1.140 -5.389 0.829 1.00 0.00 C ATOM 1007 CG GLU A 66 2.159 -6.463 0.473 1.00 0.00 C ATOM 1008 CD GLU A 66 3.593 -6.031 0.752 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.914 -5.831 1.937 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.344 -5.844 -0.239 1.00 0.00 O ATOM 0 H GLU A 66 -0.699 -7.660 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.900 -4.851 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.506 -4.421 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.045 -5.330 1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.940 -7.368 1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.059 -6.716 -0.582 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.668 -4.480 -1.873 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.680 -4.301 -3.315 1.00 0.00 C ATOM 1019 C TYR A 67 -0.405 -2.856 -3.708 1.00 0.00 C ATOM 1020 O TYR A 67 -0.940 -1.939 -3.096 1.00 0.00 O ATOM 1021 CB TYR A 67 -2.012 -4.765 -3.903 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.994 -4.902 -5.404 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -2.267 -3.803 -6.216 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -1.661 -6.117 -6.004 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -2.233 -3.911 -7.619 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -1.622 -6.247 -7.399 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.918 -5.146 -8.213 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.904 -5.303 -9.552 1.00 0.00 O ATOM 0 H TYR A 67 -1.037 -3.688 -1.347 1.00 0.00 H new ATOM 0 HA TYR A 67 0.122 -4.914 -3.725 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.279 -5.725 -3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.791 -4.057 -3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.508 -2.853 -5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.430 -6.970 -5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.448 -3.051 -8.236 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.364 -7.196 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.053 -5.704 -9.825 1.00 0.00 H new ATOM 1038 N PRO A 68 0.449 -2.626 -4.704 1.00 0.00 N ATOM 1039 CA PRO A 68 0.799 -1.289 -5.173 1.00 0.00 C ATOM 1040 C PRO A 68 -0.348 -0.594 -5.886 1.00 0.00 C ATOM 1041 O PRO A 68 -1.097 -1.213 -6.624 1.00 0.00 O ATOM 1042 CB PRO A 68 1.935 -1.511 -6.152 1.00 0.00 C ATOM 1043 CG PRO A 68 1.721 -2.936 -6.641 1.00 0.00 C ATOM 1044 CD PRO A 68 1.115 -3.655 -5.472 1.00 0.00 C ATOM 0 HA PRO A 68 1.059 -0.647 -4.331 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.899 -0.796 -6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.906 -1.395 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.060 -2.962 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.662 -3.396 -6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.411 -4.420 -5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.879 -4.158 -4.879 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.435 0.721 -5.756 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.534 1.504 -6.326 1.00 0.00 C ATOM 1054 C ILE A 69 -1.043 2.868 -6.767 1.00 0.00 C ATOM 1055 O ILE A 69 -0.127 3.428 -6.184 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.715 1.677 -5.338 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -2.426 2.706 -4.239 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -3.134 0.345 -4.695 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -1.387 2.218 -3.254 1.00 0.00 C ATOM 0 H ILE A 69 0.253 1.281 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.899 0.945 -7.188 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.541 2.051 -5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.083 3.635 -4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.349 2.934 -3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.965 0.517 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.443 -0.353 -5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.292 -0.074 -4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.217 2.982 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.740 1.304 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.454 2.015 -3.780 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.711 3.482 -7.723 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.320 4.789 -8.233 1.00 0.00 C ATOM 1073 C TYR A 70 -2.205 5.861 -7.623 1.00 0.00 C ATOM 1074 O TYR A 70 -3.410 5.689 -7.498 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.414 4.804 -9.754 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.442 3.862 -10.422 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.543 2.477 -10.222 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.550 4.359 -11.271 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.345 1.602 -10.849 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.462 3.485 -11.863 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.336 2.097 -11.699 1.00 0.00 C ATOM 1082 OH TYR A 70 2.212 1.263 -12.304 1.00 0.00 O ATOM 0 H TYR A 70 -2.541 3.092 -8.171 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.286 4.994 -7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.429 4.539 -10.051 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.232 5.817 -10.112 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.315 2.084 -9.577 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.611 5.419 -11.469 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.266 0.539 -10.676 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.274 3.881 -12.454 1.00 0.00 H new ATOM 0 HH TYR A 70 2.512 0.584 -11.664 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.593 6.962 -7.214 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.328 8.093 -6.668 1.00 0.00 C ATOM 1094 C TRP A 71 -2.979 8.936 -7.758 1.00 0.00 C ATOM 1095 O TRP A 71 -2.818 8.653 -8.938 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.374 8.938 -5.841 1.00 0.00 C ATOM 1097 CG TRP A 71 -0.023 9.128 -6.398 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.334 9.991 -7.367 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.162 8.396 -6.036 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.686 9.878 -7.585 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.238 8.893 -6.814 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.428 7.359 -5.134 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.523 8.366 -6.735 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.729 6.854 -5.010 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.759 7.343 -5.822 1.00 0.00 C ATOM 0 H TRP A 71 -0.583 7.097 -7.250 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.136 7.713 -6.043 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.825 9.919 -5.694 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.277 8.481 -4.856 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.333 10.662 -7.888 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.212 10.457 -8.240 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.630 6.948 -4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.316 8.741 -7.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.938 6.083 -4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.750 6.921 -5.739 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.603 10.045 -7.360 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.270 10.963 -8.280 1.00 0.00 C ATOM 1118 C VAL A 72 -3.297 11.503 -9.303 1.00 0.00 C ATOM 1119 O VAL A 72 -3.514 11.353 -10.492 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.899 12.146 -7.543 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.566 13.101 -8.533 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.912 11.669 -6.516 1.00 0.00 C ATOM 0 H VAL A 72 -3.659 10.332 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.054 10.391 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.104 12.678 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.008 13.937 -7.991 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.821 13.477 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.345 12.571 -9.081 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.345 12.529 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.702 11.109 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.417 11.026 -5.788 1.00 0.00 H new ATOM 1132 N GLY A 73 -2.234 12.176 -8.835 1.00 0.00 N ATOM 1133 CA GLY A 73 -1.229 12.752 -9.726 1.00 0.00 C ATOM 1134 C GLY A 73 -0.762 11.765 -10.797 1.00 0.00 C ATOM 1135 O GLY A 73 -0.392 12.170 -11.893 1.00 0.00 O ATOM 0 H GLY A 73 -2.053 12.332 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.641 13.639 -10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.371 13.078 -9.138 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.723 10.472 -10.451 1.00 0.00 N ATOM 1140 CA LYS A 74 -0.412 9.412 -11.392 1.00 0.00 C ATOM 1141 C LYS A 74 -1.617 9.020 -12.258 1.00 0.00 C ATOM 1142 O LYS A 74 -2.763 9.084 -11.855 1.00 0.00 O ATOM 1143 CB LYS A 74 0.113 8.207 -10.614 1.00 0.00 C ATOM 1144 CG LYS A 74 1.613 8.300 -10.372 1.00 0.00 C ATOM 1145 CD LYS A 74 2.123 7.092 -9.585 1.00 0.00 C ATOM 1146 CE LYS A 74 3.643 6.984 -9.639 1.00 0.00 C ATOM 1147 NZ LYS A 74 4.153 7.007 -11.030 1.00 0.00 N ATOM 0 H LYS A 74 -0.908 10.140 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 74 0.350 9.777 -12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.406 8.138 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.110 7.293 -11.165 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.135 8.362 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.840 9.215 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.801 7.172 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.679 6.182 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.085 7.807 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.958 6.061 -9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.185 6.880 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.713 6.237 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.919 7.920 -11.470 1.00 0.00 H new ATOM 1161 N ASN A 75 -1.326 8.453 -13.421 1.00 0.00 N ATOM 1162 CA ASN A 75 -2.359 8.001 -14.355 1.00 0.00 C ATOM 1163 C ASN A 75 -2.036 6.618 -14.915 1.00 0.00 C ATOM 1164 O ASN A 75 -2.229 6.354 -16.097 1.00 0.00 O ATOM 1165 CB ASN A 75 -2.525 9.025 -15.481 1.00 0.00 C ATOM 1166 CG ASN A 75 -3.090 10.337 -14.999 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -2.363 11.227 -14.602 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -4.392 10.485 -15.077 1.00 0.00 N ATOM 0 H ASN A 75 -0.373 8.292 -13.746 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.301 7.918 -13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.557 9.202 -15.951 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.181 8.612 -16.248 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.822 11.367 -14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.973 9.718 -15.415 1.00 0.00 H new ATOM 1175 N ALA A 76 -1.451 5.763 -14.085 1.00 0.00 N ATOM 1176 CA ALA A 76 -1.119 4.404 -14.482 1.00 0.00 C ATOM 1177 C ALA A 76 -1.787 3.372 -13.574 1.00 0.00 C ATOM 1178 O ALA A 76 -2.411 3.720 -12.577 1.00 0.00 O ATOM 1179 CB ALA A 76 0.398 4.266 -14.516 1.00 0.00 C ATOM 0 H ALA A 76 -1.196 5.992 -13.124 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.509 4.205 -15.480 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.665 3.251 -14.812 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.812 4.974 -15.234 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.804 4.473 -13.526 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.615 2.100 -13.913 1.00 0.00 N ATOM 1186 CA GLU A 77 -2.149 0.992 -13.129 1.00 0.00 C ATOM 1187 C GLU A 77 -1.132 -0.142 -12.997 1.00 0.00 C ATOM 1188 O GLU A 77 -0.191 -0.249 -13.788 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.432 0.480 -13.793 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.386 -0.179 -12.792 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.515 -0.929 -13.508 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -6.362 -0.239 -14.116 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -5.550 -2.176 -13.409 1.00 0.00 O ATOM 0 H GLU A 77 -1.099 1.806 -14.743 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.370 1.351 -12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.941 1.311 -14.282 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.173 -0.238 -14.571 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.831 -0.872 -12.159 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.810 0.581 -12.136 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.307 -0.972 -11.969 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.438 -2.108 -11.730 1.00 0.00 C ATOM 1202 C TRP A 78 -1.027 -3.382 -12.320 1.00 0.00 C ATOM 1203 O TRP A 78 -2.186 -3.713 -12.090 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.194 -2.273 -10.236 1.00 0.00 C ATOM 1205 CG TRP A 78 1.152 -2.816 -9.929 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.524 -4.111 -9.913 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.329 -2.071 -9.554 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.857 -4.216 -9.587 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.393 -2.992 -9.322 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.605 -0.710 -9.367 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.667 -2.590 -8.936 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 3.884 -0.312 -8.978 1.00 0.00 C ATOM 1213 CH2 TRP A 78 4.916 -1.230 -8.764 1.00 0.00 C ATOM 0 H TRP A 78 -2.056 -0.870 -11.284 1.00 0.00 H new ATOM 0 HA TRP A 78 0.515 -1.921 -12.225 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.312 -1.307 -9.745 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.952 -2.937 -9.820 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.871 -4.945 -10.125 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.375 -5.094 -9.549 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.831 0.027 -9.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.448 -3.318 -8.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.083 0.740 -8.838 1.00 0.00 H new ATOM 0 HH2 TRP A 78 5.897 -0.888 -8.468 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.215 -4.122 -13.066 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.653 -5.387 -13.638 1.00 0.00 C ATOM 1226 C ALA A 79 -0.525 -6.538 -12.645 1.00 0.00 C ATOM 1227 O ALA A 79 0.087 -6.403 -11.599 1.00 0.00 O ATOM 1228 CB ALA A 79 0.147 -5.668 -14.899 1.00 0.00 C ATOM 0 H ALA A 79 0.748 -3.868 -13.288 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.711 -5.305 -13.886 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.177 -6.614 -15.332 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.015 -4.866 -15.619 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.207 -5.726 -14.652 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.059 -7.705 -13.007 1.00 0.00 N ATOM 1235 CA LYS A 80 -0.978 -8.899 -12.163 1.00 0.00 C ATOM 1236 C LYS A 80 0.254 -9.724 -12.491 1.00 0.00 C ATOM 1237 O LYS A 80 0.945 -10.207 -11.600 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.247 -9.734 -12.345 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.490 -9.056 -11.761 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.593 -9.280 -10.251 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.060 -10.700 -9.922 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.468 -10.934 -10.326 1.00 0.00 N ATOM 0 H LYS A 80 -1.556 -7.850 -13.886 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.894 -8.586 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.405 -9.920 -13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.110 -10.705 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.455 -7.987 -11.970 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.383 -9.447 -12.250 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.622 -9.099 -9.789 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.289 -8.559 -9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.415 -11.419 -10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.957 -10.876 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.827 -11.788 -9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.049 -10.116 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.517 -11.061 -11.357 1.00 0.00 H new ATOM 1256 N ASP A 81 0.507 -9.934 -13.780 1.00 0.00 N ATOM 1257 CA ASP A 81 1.651 -10.708 -14.267 1.00 0.00 C ATOM 1258 C ASP A 81 2.800 -9.795 -14.710 1.00 0.00 C ATOM 1259 O ASP A 81 3.347 -9.902 -15.801 1.00 0.00 O ATOM 1260 CB ASP A 81 1.220 -11.645 -15.397 1.00 0.00 C ATOM 1261 CG ASP A 81 2.374 -12.548 -15.849 1.00 0.00 C ATOM 1262 OD1 ASP A 81 3.044 -13.077 -14.936 1.00 0.00 O ATOM 1263 OD2 ASP A 81 2.542 -12.697 -17.075 1.00 0.00 O ATOM 0 H ASP A 81 -0.083 -9.568 -14.527 1.00 0.00 H new ATOM 0 HA ASP A 81 2.023 -11.315 -13.442 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.385 -12.260 -15.062 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.864 -11.057 -16.243 1.00 0.00 H new ATOM 1268 N VAL A 82 3.150 -8.816 -13.878 1.00 0.00 N ATOM 1269 CA VAL A 82 4.244 -7.892 -14.177 1.00 0.00 C ATOM 1270 C VAL A 82 5.088 -7.604 -12.948 1.00 0.00 C ATOM 1271 O VAL A 82 4.580 -7.331 -11.869 1.00 0.00 O ATOM 1272 CB VAL A 82 3.687 -6.588 -14.734 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.804 -5.569 -14.955 1.00 0.00 C ATOM 1274 CG2 VAL A 82 2.958 -6.818 -16.061 1.00 0.00 C ATOM 0 H VAL A 82 2.689 -8.641 -12.985 1.00 0.00 H new ATOM 0 HA VAL A 82 4.884 -8.367 -14.921 1.00 0.00 H new ATOM 0 HB VAL A 82 2.981 -6.202 -13.999 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.381 -4.646 -15.353 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.300 -5.361 -14.007 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.529 -5.971 -15.663 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.572 -5.869 -16.433 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.652 -7.238 -16.789 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.131 -7.511 -15.906 1.00 0.00 H new ATOM 1284 N LYS A 83 6.413 -7.661 -13.106 1.00 0.00 N ATOM 1285 CA LYS A 83 7.345 -7.351 -12.025 1.00 0.00 C ATOM 1286 C LYS A 83 7.342 -5.872 -11.692 1.00 0.00 C ATOM 1287 O LYS A 83 6.935 -5.060 -12.501 1.00 0.00 O ATOM 1288 CB LYS A 83 8.741 -7.833 -12.420 1.00 0.00 C ATOM 1289 CG LYS A 83 9.640 -8.030 -11.196 1.00 0.00 C ATOM 1290 CD LYS A 83 10.782 -8.999 -11.506 1.00 0.00 C ATOM 1291 CE LYS A 83 10.293 -10.452 -11.457 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.395 -11.384 -11.122 1.00 0.00 N ATOM 0 H LYS A 83 6.865 -7.922 -13.982 1.00 0.00 H new ATOM 0 HA LYS A 83 7.028 -7.871 -11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.660 -8.772 -12.967 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.198 -7.109 -13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.048 -7.069 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.049 -8.413 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.191 -8.782 -12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.589 -8.858 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.499 -10.545 -10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.864 -10.725 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.031 -12.358 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.142 -11.312 -11.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.787 -11.137 -10.191 1.00 0.00 H new ATOM 1306 N THR A 84 7.930 -5.507 -10.560 1.00 0.00 N ATOM 1307 CA THR A 84 8.056 -4.107 -10.143 1.00 0.00 C ATOM 1308 C THR A 84 8.980 -3.316 -11.053 1.00 0.00 C ATOM 1309 O THR A 84 8.679 -2.184 -11.392 1.00 0.00 O ATOM 1310 CB THR A 84 8.578 -4.005 -8.707 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.750 -4.791 -8.566 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.530 -4.499 -7.707 1.00 0.00 C ATOM 0 H THR A 84 8.335 -6.171 -9.900 1.00 0.00 H new ATOM 0 HA THR A 84 7.055 -3.681 -10.206 1.00 0.00 H new ATOM 0 HB THR A 84 8.799 -2.958 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.082 -4.722 -7.646 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.926 -4.416 -6.695 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.629 -3.893 -7.795 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.288 -5.541 -7.918 1.00 0.00 H new ATOM 1320 N SER A 85 10.104 -3.927 -11.445 1.00 0.00 N ATOM 1321 CA SER A 85 11.077 -3.285 -12.330 1.00 0.00 C ATOM 1322 C SER A 85 10.490 -3.044 -13.718 1.00 0.00 C ATOM 1323 O SER A 85 10.642 -1.972 -14.288 1.00 0.00 O ATOM 1324 CB SER A 85 12.333 -4.152 -12.444 1.00 0.00 C ATOM 1325 OG SER A 85 13.295 -3.535 -13.263 1.00 0.00 O ATOM 0 H SER A 85 10.361 -4.872 -11.160 1.00 0.00 H new ATOM 0 HA SER A 85 11.338 -2.319 -11.898 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.751 -4.326 -11.453 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.071 -5.127 -12.855 1.00 0.00 H new ATOM 0 HG SER A 85 14.090 -4.105 -13.321 1.00 0.00 H new ATOM 1331 N GLN A 86 9.792 -4.057 -14.246 1.00 0.00 N ATOM 1332 CA GLN A 86 9.150 -3.953 -15.546 1.00 0.00 C ATOM 1333 C GLN A 86 7.944 -3.040 -15.493 1.00 0.00 C ATOM 1334 O GLN A 86 7.721 -2.338 -16.465 1.00 0.00 O ATOM 1335 CB GLN A 86 8.748 -5.342 -16.049 1.00 0.00 C ATOM 1336 CG GLN A 86 7.830 -5.278 -17.277 1.00 0.00 C ATOM 1337 CD GLN A 86 7.881 -6.556 -18.087 1.00 0.00 C ATOM 1338 OE1 GLN A 86 8.786 -6.784 -18.869 1.00 0.00 O ATOM 1339 NE2 GLN A 86 6.916 -7.427 -17.892 1.00 0.00 N ATOM 0 H GLN A 86 9.662 -4.957 -13.785 1.00 0.00 H new ATOM 0 HA GLN A 86 9.866 -3.517 -16.243 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.645 -5.908 -16.299 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.242 -5.883 -15.249 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.805 -5.093 -16.955 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.123 -4.437 -17.906 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.166 -7.218 -17.233 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.917 -8.312 -18.400 1.00 0.00 H new ATOM 1348 N GLN A 87 7.175 -3.067 -14.405 1.00 0.00 N ATOM 1349 CA GLN A 87 5.975 -2.270 -14.223 1.00 0.00 C ATOM 1350 C GLN A 87 6.118 -0.890 -14.845 1.00 0.00 C ATOM 1351 O GLN A 87 6.904 -0.056 -14.389 1.00 0.00 O ATOM 1352 CB GLN A 87 5.646 -2.129 -12.735 1.00 0.00 C ATOM 1353 CG GLN A 87 4.165 -1.870 -12.489 1.00 0.00 C ATOM 1354 CD GLN A 87 3.254 -2.880 -13.159 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.829 -2.705 -14.286 1.00 0.00 O ATOM 1356 NE2 GLN A 87 2.991 -3.990 -12.520 1.00 0.00 N ATOM 0 H GLN A 87 7.381 -3.665 -13.605 1.00 0.00 H new ATOM 0 HA GLN A 87 5.161 -2.790 -14.728 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.945 -3.038 -12.212 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.230 -1.311 -12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.976 -1.879 -11.415 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.914 -0.872 -12.849 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.349 -4.132 -11.576 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.427 -4.714 -12.966 1.00 0.00 H new ATOM 1365 N LYS A 88 5.379 -0.650 -15.926 1.00 0.00 N ATOM 1366 CA LYS A 88 5.462 0.606 -16.660 1.00 0.00 C ATOM 1367 C LYS A 88 4.421 1.567 -16.119 1.00 0.00 C ATOM 1368 O LYS A 88 3.390 1.794 -16.742 1.00 0.00 O ATOM 1369 CB LYS A 88 5.252 0.370 -18.155 1.00 0.00 C ATOM 1370 CG LYS A 88 6.337 -0.479 -18.808 1.00 0.00 C ATOM 1371 CD LYS A 88 7.563 0.348 -19.192 1.00 0.00 C ATOM 1372 CE LYS A 88 7.335 1.056 -20.531 1.00 0.00 C ATOM 1373 NZ LYS A 88 6.628 2.350 -20.365 1.00 0.00 N ATOM 0 H LYS A 88 4.711 -1.316 -16.314 1.00 0.00 H new ATOM 0 HA LYS A 88 6.454 1.037 -16.527 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.287 -0.115 -18.304 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.206 1.334 -18.661 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.636 -1.273 -18.124 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.933 -0.961 -19.698 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.770 1.084 -18.415 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.438 -0.298 -19.260 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.295 1.228 -21.018 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.755 0.408 -21.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.018 3.047 -21.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.614 2.219 -20.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.755 2.693 -19.391 1.00 0.00 H new ATOM 1387 N GLY A 89 4.732 2.194 -14.994 1.00 0.00 N ATOM 1388 CA GLY A 89 3.820 3.163 -14.414 1.00 0.00 C ATOM 1389 C GLY A 89 4.470 4.011 -13.341 1.00 0.00 C ATOM 1390 O GLY A 89 4.382 5.240 -13.349 1.00 0.00 O ATOM 0 H GLY A 89 5.597 2.051 -14.472 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.438 3.812 -15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.964 2.640 -13.988 1.00 0.00 H new ATOM 1394 N GLY A 90 5.085 3.366 -12.361 1.00 0.00 N ATOM 1395 CA GLY A 90 5.767 4.080 -11.306 1.00 0.00 C ATOM 1396 C GLY A 90 6.056 3.207 -10.114 1.00 0.00 C ATOM 1397 O GLY A 90 5.212 2.401 -9.763 1.00 0.00 O ATOM 0 H GLY A 90 5.123 2.350 -12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 90 6.703 4.485 -11.691 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.158 4.928 -10.993 1.00 0.00 H new ATOM 1401 N PRO A 91 7.167 3.454 -9.417 1.00 0.00 N ATOM 1402 CA PRO A 91 7.559 2.720 -8.218 1.00 0.00 C ATOM 1403 C PRO A 91 6.688 3.024 -7.009 1.00 0.00 C ATOM 1404 O PRO A 91 7.125 2.736 -5.901 1.00 0.00 O ATOM 1405 CB PRO A 91 8.997 3.148 -7.942 1.00 0.00 C ATOM 1406 CG PRO A 91 9.095 4.531 -8.566 1.00 0.00 C ATOM 1407 CD PRO A 91 8.149 4.472 -9.750 1.00 0.00 C ATOM 0 HA PRO A 91 7.449 1.649 -8.386 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.207 3.177 -6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.712 2.457 -8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 91 8.802 5.308 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.114 4.755 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 91 7.671 5.437 -9.918 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.683 4.217 -10.666 1.00 0.00 H new ATOM 1415 N THR A 92 5.522 3.650 -7.221 1.00 0.00 N ATOM 1416 CA THR A 92 4.536 3.951 -6.195 1.00 0.00 C ATOM 1417 C THR A 92 4.722 3.105 -4.923 1.00 0.00 C ATOM 1418 O THR A 92 4.481 1.895 -4.906 1.00 0.00 O ATOM 1419 CB THR A 92 3.097 3.839 -6.674 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.345 3.958 -5.499 1.00 0.00 O ATOM 1421 CG2 THR A 92 2.854 2.522 -7.396 1.00 0.00 C ATOM 0 H THR A 92 5.237 3.968 -8.147 1.00 0.00 H new ATOM 0 HA THR A 92 4.722 4.997 -5.951 1.00 0.00 H new ATOM 0 HB THR A 92 2.828 4.601 -7.406 1.00 0.00 H new ATOM 0 HG1 THR A 92 2.025 4.880 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.816 2.474 -7.725 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.513 2.455 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.059 1.693 -6.719 1.00 0.00 H new ATOM 1429 N PRO A 93 5.281 3.722 -3.875 1.00 0.00 N ATOM 1430 CA PRO A 93 5.565 3.023 -2.643 1.00 0.00 C ATOM 1431 C PRO A 93 4.297 2.626 -1.914 1.00 0.00 C ATOM 1432 O PRO A 93 4.252 1.574 -1.282 1.00 0.00 O ATOM 1433 CB PRO A 93 6.336 4.040 -1.836 1.00 0.00 C ATOM 1434 CG PRO A 93 5.945 5.390 -2.355 1.00 0.00 C ATOM 1435 CD PRO A 93 5.698 5.108 -3.815 1.00 0.00 C ATOM 0 HA PRO A 93 6.108 2.093 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.101 3.951 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.410 3.882 -1.939 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.055 5.775 -1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.735 6.127 -2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.929 5.767 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.600 5.273 -4.405 1.00 0.00 H new ATOM 1443 N ILE A 94 3.304 3.514 -1.948 1.00 0.00 N ATOM 1444 CA ILE A 94 2.021 3.305 -1.303 1.00 0.00 C ATOM 1445 C ILE A 94 1.424 1.990 -1.764 1.00 0.00 C ATOM 1446 O ILE A 94 1.391 1.723 -2.968 1.00 0.00 O ATOM 1447 CB ILE A 94 1.051 4.461 -1.572 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.648 5.799 -1.162 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.240 4.266 -0.781 1.00 0.00 C ATOM 1450 CD1 ILE A 94 1.127 6.973 -1.942 1.00 0.00 C ATOM 0 H ILE A 94 3.375 4.409 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 94 2.187 3.269 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 94 0.851 4.464 -2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.448 5.964 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.731 5.752 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.919 5.095 -0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.712 3.330 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.013 4.234 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.604 7.886 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.350 6.835 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.048 7.050 -1.806 1.00 0.00 H new ATOM 1462 N ARG A 95 1.005 1.150 -0.819 1.00 0.00 N ATOM 1463 CA ARG A 95 0.389 -0.137 -1.123 1.00 0.00 C ATOM 1464 C ARG A 95 -0.792 -0.400 -0.212 1.00 0.00 C ATOM 1465 O ARG A 95 -0.693 -0.221 1.000 1.00 0.00 O ATOM 1466 CB ARG A 95 1.421 -1.260 -0.988 1.00 0.00 C ATOM 1467 CG ARG A 95 2.448 -1.271 -2.123 1.00 0.00 C ATOM 1468 CD ARG A 95 3.779 -1.816 -1.639 1.00 0.00 C ATOM 1469 NE ARG A 95 4.813 -1.726 -2.681 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.966 -2.362 -2.627 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.261 -3.139 -1.617 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.836 -2.232 -3.595 1.00 0.00 N ATOM 0 H ARG A 95 1.084 1.344 0.179 1.00 0.00 H new ATOM 0 HA ARG A 95 0.027 -0.109 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.941 -1.155 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.904 -2.219 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.079 -1.880 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.582 -0.260 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.101 -1.261 -0.758 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.658 -2.856 -1.335 1.00 0.00 H new ATOM 0 HE ARG A 95 4.627 -1.137 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.594 -3.260 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.158 -3.624 -1.591 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.623 -1.637 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.727 -2.726 -3.549 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.913 -0.819 -0.784 1.00 0.00 N ATOM 1487 CA VAL A 96 -3.115 -1.160 -0.031 1.00 0.00 C ATOM 1488 C VAL A 96 -2.916 -2.451 0.744 1.00 0.00 C ATOM 1489 O VAL A 96 -2.509 -3.456 0.181 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.332 -1.253 -0.956 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.107 -2.270 -2.066 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.577 -1.599 -0.141 1.00 0.00 C ATOM 0 H VAL A 96 -2.016 -0.933 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.304 -0.362 0.688 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.480 -0.283 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.989 -2.312 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.242 -1.975 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.929 -3.252 -1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.440 -1.664 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.430 -2.557 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.751 -0.824 0.605 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.270 -2.444 2.016 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.191 -3.603 2.887 1.00 0.00 C ATOM 1504 C VAL A 97 -4.566 -4.079 3.305 1.00 0.00 C ATOM 1505 O VAL A 97 -5.409 -3.334 3.798 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.349 -3.323 4.132 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.231 -4.568 5.000 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.965 -2.808 3.749 1.00 0.00 C ATOM 0 H VAL A 97 -3.629 -1.612 2.484 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.705 -4.389 2.309 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.855 -2.549 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.627 -4.343 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.224 -4.888 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.757 -5.366 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.385 -2.616 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.454 -3.555 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.065 -1.884 3.179 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.832 -5.359 3.101 1.00 0.00 N ATOM 1519 CA TYR A 98 -6.117 -5.976 3.394 1.00 0.00 C ATOM 1520 C TYR A 98 -5.933 -7.178 4.288 1.00 0.00 C ATOM 1521 O TYR A 98 -4.818 -7.617 4.480 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.848 -6.368 2.114 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.984 -6.777 0.954 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -5.138 -5.835 0.349 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -6.022 -8.095 0.480 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.289 -6.209 -0.693 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.209 -8.468 -0.603 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.341 -7.521 -1.184 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.525 -7.872 -2.193 1.00 0.00 O ATOM 0 H TYR A 98 -4.147 -6.012 2.719 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.730 -5.242 3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.524 -7.191 2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.466 -5.526 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.144 -4.811 0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.673 -8.820 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.599 -5.495 -1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.249 -9.476 -0.989 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.909 -8.634 -2.674 1.00 0.00 H new ATOM 1539 N ALA A 99 -7.022 -7.710 4.827 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.986 -8.900 5.665 1.00 0.00 C ATOM 1541 C ALA A 99 -7.470 -10.134 4.906 1.00 0.00 C ATOM 1542 O ALA A 99 -8.119 -10.028 3.868 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.823 -8.661 6.914 1.00 0.00 C ATOM 0 H ALA A 99 -7.958 -7.327 4.695 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.954 -9.093 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.798 -9.550 7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.418 -7.813 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.853 -8.448 6.627 1.00 0.00 H new ATOM 1549 N ASN A 100 -7.199 -11.307 5.464 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.590 -12.584 4.886 1.00 0.00 C ATOM 1551 C ASN A 100 -8.657 -13.248 5.735 1.00 0.00 C ATOM 1552 O ASN A 100 -8.701 -14.466 5.805 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.375 -13.492 4.718 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.685 -14.796 4.014 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -6.585 -15.888 4.539 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -7.080 -14.691 2.777 1.00 0.00 N ATOM 0 H ASN A 100 -6.693 -11.398 6.345 1.00 0.00 H new ATOM 0 HA ASN A 100 -8.012 -12.403 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.608 -12.959 4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.956 -13.710 5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.308 -15.529 2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.161 -13.771 2.344 1.00 0.00 H new ATOM 1563 N SER A 101 -9.488 -12.466 6.419 1.00 0.00 N ATOM 1564 CA SER A 101 -10.564 -12.983 7.263 1.00 0.00 C ATOM 1565 C SER A 101 -11.394 -14.033 6.535 1.00 0.00 C ATOM 1566 O SER A 101 -12.321 -13.697 5.820 1.00 0.00 O ATOM 1567 CB SER A 101 -11.465 -11.842 7.738 1.00 0.00 C ATOM 1568 OG SER A 101 -12.670 -12.334 8.298 1.00 0.00 O ATOM 0 H SER A 101 -9.434 -11.448 6.404 1.00 0.00 H new ATOM 0 HA SER A 101 -10.102 -13.460 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.936 -11.243 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.694 -11.184 6.900 1.00 0.00 H new ATOM 0 HG SER A 101 -13.224 -11.582 8.594 1.00 0.00 H new ATOM 1574 N ARG A 102 -11.035 -15.313 6.666 1.00 0.00 N ATOM 1575 CA ARG A 102 -11.672 -16.405 5.931 1.00 0.00 C ATOM 1576 C ARG A 102 -11.867 -16.089 4.439 1.00 0.00 C ATOM 1577 O ARG A 102 -12.936 -16.324 3.879 1.00 0.00 O ATOM 1578 CB ARG A 102 -13.006 -16.662 6.632 1.00 0.00 C ATOM 1579 CG ARG A 102 -13.567 -18.041 6.295 1.00 0.00 C ATOM 1580 CD ARG A 102 -15.053 -18.084 6.630 1.00 0.00 C ATOM 1581 NE ARG A 102 -15.718 -19.224 5.984 1.00 0.00 N ATOM 1582 CZ ARG A 102 -16.829 -19.786 6.415 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -17.418 -19.358 7.502 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -17.356 -20.789 5.770 1.00 0.00 N ATOM 0 H ARG A 102 -10.289 -15.621 7.290 1.00 0.00 H new ATOM 0 HA ARG A 102 -11.036 -17.290 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.872 -16.578 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -13.724 -15.896 6.339 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.416 -18.258 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.035 -18.809 6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -15.182 -18.151 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.526 -17.156 6.309 1.00 0.00 H new ATOM 0 HE ARG A 102 -15.289 -19.608 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -17.017 -18.580 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -18.278 -19.802 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.908 -21.144 4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.216 -21.219 6.110 1.00 0.00 H new ATOM 1598 N GLY A 103 -10.836 -15.537 3.800 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.942 -15.180 2.392 1.00 0.00 C ATOM 1600 C GLY A 103 -11.865 -13.989 2.147 1.00 0.00 C ATOM 1601 O GLY A 103 -12.589 -13.967 1.158 1.00 0.00 O ATOM 0 H GLY A 103 -9.934 -15.331 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.949 -14.949 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.310 -16.039 1.832 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.811 -12.988 3.025 1.00 0.00 N ATOM 1606 CA ALA A 104 -12.656 -11.806 2.936 1.00 0.00 C ATOM 1607 C ALA A 104 -11.839 -10.551 3.208 1.00 0.00 C ATOM 1608 O ALA A 104 -11.443 -10.268 4.341 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.850 -11.903 3.885 1.00 0.00 C ATOM 0 H ALA A 104 -11.174 -12.978 3.822 1.00 0.00 H new ATOM 0 HA ALA A 104 -13.052 -11.746 1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -14.461 -11.005 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -14.449 -12.777 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -13.493 -11.997 4.911 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.542 -9.809 2.146 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.787 -8.566 2.256 1.00 0.00 C ATOM 1617 C VAL A 105 -11.545 -7.572 3.124 1.00 0.00 C ATOM 1618 O VAL A 105 -12.716 -7.301 2.879 1.00 0.00 O ATOM 1619 CB VAL A 105 -10.511 -7.960 0.876 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.846 -6.589 1.001 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -9.633 -8.899 0.045 1.00 0.00 C ATOM 0 H VAL A 105 -11.815 -10.049 1.193 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.828 -8.791 2.722 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.467 -7.831 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.661 -6.182 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.502 -5.915 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.900 -6.691 1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.447 -8.453 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.684 -9.059 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.142 -9.854 -0.083 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.831 -6.962 4.067 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.404 -5.941 4.939 1.00 0.00 C ATOM 1633 C GLN A 106 -10.834 -4.562 4.661 1.00 0.00 C ATOM 1634 O GLN A 106 -11.312 -3.592 5.230 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.205 -6.344 6.402 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.922 -5.767 7.013 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.677 -6.281 8.415 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.078 -7.368 8.792 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -8.968 -5.509 9.202 1.00 0.00 N ATOM 0 H GLN A 106 -9.847 -7.160 4.247 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.472 -5.877 4.730 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.062 -6.008 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.178 -7.431 6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.073 -6.023 6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.988 -4.679 7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.641 -4.602 8.868 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.743 -5.815 10.149 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.779 -4.495 3.835 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.081 -3.256 3.535 1.00 0.00 C ATOM 1650 C TYR A 107 -8.566 -2.619 4.828 1.00 0.00 C ATOM 1651 O TYR A 107 -8.928 -1.503 5.167 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.036 -2.322 2.777 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.527 -0.917 2.600 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.292 -0.708 1.975 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.233 0.161 3.169 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.794 0.594 1.867 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.718 1.460 3.074 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.493 1.678 2.412 1.00 0.00 C ATOM 1659 OH TYR A 107 -7.995 2.927 2.256 1.00 0.00 O ATOM 0 H TYR A 107 -9.391 -5.309 3.358 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.214 -3.451 2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.237 -2.748 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -10.987 -2.286 3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.731 -1.542 1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.170 -0.014 3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.858 0.766 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.257 2.290 3.506 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.120 3.435 3.085 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.741 -3.350 5.583 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.139 -2.816 6.807 1.00 0.00 C ATOM 1671 C CYS A 108 -6.640 -1.370 6.647 1.00 0.00 C ATOM 1672 O CYS A 108 -6.681 -0.593 7.598 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.967 -3.701 7.243 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.397 -3.346 8.932 1.00 0.00 S ATOM 0 H CYS A 108 -7.475 -4.311 5.368 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.923 -2.814 7.564 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.266 -4.747 7.179 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.138 -3.563 6.549 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.228 -1.011 5.432 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.846 0.338 5.097 1.00 0.00 C ATOM 1681 C GLY A 109 -4.655 0.335 4.174 1.00 0.00 C ATOM 1682 O GLY A 109 -4.060 -0.688 3.888 1.00 0.00 O ATOM 0 H GLY A 109 -6.153 -1.664 4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.681 0.851 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.608 0.891 6.006 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.262 1.506 3.716 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.112 1.669 2.826 1.00 0.00 C ATOM 1688 C VAL A 110 -1.912 2.175 3.599 1.00 0.00 C ATOM 1689 O VAL A 110 -2.059 2.947 4.538 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.421 2.646 1.691 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.582 2.306 0.468 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.891 2.598 1.294 1.00 0.00 C ATOM 0 H VAL A 110 -4.730 2.382 3.948 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.890 0.691 2.399 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.184 3.647 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.809 3.007 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.524 2.375 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.811 1.292 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.073 3.305 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.145 1.592 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.509 2.862 2.152 1.00 0.00 H new ATOM 1702 N MET A 111 -0.718 1.761 3.196 1.00 0.00 N ATOM 1703 CA MET A 111 0.529 2.179 3.832 1.00 0.00 C ATOM 1704 C MET A 111 1.432 2.895 2.858 1.00 0.00 C ATOM 1705 O MET A 111 1.291 2.715 1.657 1.00 0.00 O ATOM 1706 CB MET A 111 1.265 0.981 4.431 1.00 0.00 C ATOM 1707 CG MET A 111 1.556 -0.125 3.418 1.00 0.00 C ATOM 1708 SD MET A 111 2.613 -1.419 4.103 1.00 0.00 S ATOM 1709 CE MET A 111 2.771 -2.491 2.658 1.00 0.00 C ATOM 0 H MET A 111 -0.584 1.121 2.413 1.00 0.00 H new ATOM 0 HA MET A 111 0.266 2.871 4.632 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.205 1.322 4.865 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.669 0.569 5.246 1.00 0.00 H new ATOM 0 HG2 MET A 111 0.617 -0.565 3.084 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.036 0.307 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 111 3.398 -3.347 2.907 1.00 0.00 H new ATOM 0 HE2 MET A 111 1.784 -2.840 2.354 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.227 -1.934 1.840 1.00 0.00 H new ATOM 1719 N THR A 112 2.415 3.631 3.352 1.00 0.00 N ATOM 1720 CA THR A 112 3.376 4.340 2.520 1.00 0.00 C ATOM 1721 C THR A 112 4.662 4.619 3.268 1.00 0.00 C ATOM 1722 O THR A 112 4.703 4.662 4.481 1.00 0.00 O ATOM 1723 CB THR A 112 2.781 5.653 2.029 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.581 6.108 0.950 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.809 6.756 3.061 1.00 0.00 C ATOM 0 H THR A 112 2.570 3.755 4.353 1.00 0.00 H new ATOM 0 HA THR A 112 3.607 3.699 1.669 1.00 0.00 H new ATOM 0 HB THR A 112 1.742 5.452 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.322 7.023 0.714 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.369 7.660 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.238 6.449 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.840 6.956 3.352 1.00 0.00 H new ATOM 1733 N HIS A 113 5.748 4.826 2.539 1.00 0.00 N ATOM 1734 CA HIS A 113 7.018 5.172 3.151 1.00 0.00 C ATOM 1735 C HIS A 113 7.029 6.599 3.696 1.00 0.00 C ATOM 1736 O HIS A 113 6.121 7.379 3.467 1.00 0.00 O ATOM 1737 CB HIS A 113 8.144 4.938 2.157 1.00 0.00 C ATOM 1738 CG HIS A 113 8.006 3.676 1.363 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.409 3.549 0.070 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.484 2.481 1.732 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.199 2.307 -0.367 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.567 1.678 0.611 1.00 0.00 N ATOM 0 H HIS A 113 5.773 4.760 1.521 1.00 0.00 H new ATOM 0 HA HIS A 113 7.170 4.522 4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.190 5.783 1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.091 4.914 2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.086 2.213 2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.486 1.898 -1.324 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.193 0.731 0.546 1.00 0.00 H new ATOM 1751 N SER A 114 8.168 6.996 4.247 1.00 0.00 N ATOM 1752 CA SER A 114 8.336 8.345 4.771 1.00 0.00 C ATOM 1753 C SER A 114 9.552 8.999 4.179 1.00 0.00 C ATOM 1754 O SER A 114 9.512 10.178 3.960 1.00 0.00 O ATOM 1755 CB SER A 114 8.448 8.328 6.291 1.00 0.00 C ATOM 1756 OG SER A 114 9.622 7.647 6.681 1.00 0.00 O ATOM 0 H SER A 114 8.991 6.402 4.343 1.00 0.00 H new ATOM 0 HA SER A 114 7.454 8.921 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.465 9.348 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.574 7.840 6.723 1.00 0.00 H new ATOM 0 HG SER A 114 9.688 7.642 7.659 1.00 0.00 H new ATOM 1762 N LYS A 115 10.609 8.248 3.854 1.00 0.00 N ATOM 1763 CA LYS A 115 11.840 8.775 3.260 1.00 0.00 C ATOM 1764 C LYS A 115 11.683 9.011 1.754 1.00 0.00 C ATOM 1765 O LYS A 115 12.319 8.328 0.942 1.00 0.00 O ATOM 1766 CB LYS A 115 12.986 7.804 3.555 1.00 0.00 C ATOM 1767 CG LYS A 115 14.354 8.417 3.237 1.00 0.00 C ATOM 1768 CD LYS A 115 14.804 9.363 4.350 1.00 0.00 C ATOM 1769 CE LYS A 115 16.327 9.500 4.359 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.823 10.245 3.176 1.00 0.00 N ATOM 0 H LYS A 115 10.633 7.239 3.999 1.00 0.00 H new ATOM 0 HA LYS A 115 12.064 9.745 3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.954 7.514 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.851 6.895 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.091 7.624 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.303 8.959 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.347 10.342 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.462 8.987 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.640 10.013 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.780 8.509 4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.860 10.316 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.547 9.742 2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.411 11.200 3.169 1.00 0.00 H new ATOM 1784 N VAL A 116 10.732 9.852 1.382 1.00 0.00 N ATOM 1785 CA VAL A 116 10.473 10.161 -0.019 1.00 0.00 C ATOM 1786 C VAL A 116 11.568 11.040 -0.592 1.00 0.00 C ATOM 1787 O VAL A 116 11.608 12.202 -0.299 1.00 0.00 O ATOM 1788 CB VAL A 116 9.109 10.827 -0.194 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.973 11.383 -1.607 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.993 9.818 0.060 1.00 0.00 C ATOM 0 H VAL A 116 10.120 10.339 2.037 1.00 0.00 H new ATOM 0 HA VAL A 116 10.465 9.219 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 116 9.029 11.642 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.997 11.855 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.756 12.121 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 116 9.069 10.571 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.026 10.305 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.080 8.993 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.074 9.434 1.077 1.00 0.00 H new ATOM 1800 N ASP A 117 12.421 10.504 -1.450 1.00 0.00 N ATOM 1801 CA ASP A 117 13.492 11.306 -2.057 1.00 0.00 C ATOM 1802 C ASP A 117 12.992 12.050 -3.304 1.00 0.00 C ATOM 1803 O ASP A 117 12.772 13.254 -3.295 1.00 0.00 O ATOM 1804 CB ASP A 117 14.667 10.389 -2.392 1.00 0.00 C ATOM 1805 CG ASP A 117 16.012 11.084 -2.266 1.00 0.00 C ATOM 1806 OD1 ASP A 117 16.149 12.158 -2.877 1.00 0.00 O ATOM 1807 OD2 ASP A 117 16.868 10.456 -1.602 1.00 0.00 O ATOM 0 H ASP A 117 12.401 9.528 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 117 13.820 12.066 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 117 14.647 9.524 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.551 10.014 -3.409 1.00 0.00 H new ATOM 1812 N LYS A 118 12.730 11.296 -4.383 1.00 0.00 N ATOM 1813 CA LYS A 118 12.270 11.832 -5.655 1.00 0.00 C ATOM 1814 C LYS A 118 11.034 11.102 -6.117 1.00 0.00 C ATOM 1815 O LYS A 118 9.969 11.687 -6.249 1.00 0.00 O ATOM 1816 CB LYS A 118 13.401 11.774 -6.693 1.00 0.00 C ATOM 1817 CG LYS A 118 12.893 11.966 -8.134 1.00 0.00 C ATOM 1818 CD LYS A 118 12.518 13.425 -8.399 1.00 0.00 C ATOM 1819 CE LYS A 118 12.305 13.657 -9.894 1.00 0.00 C ATOM 1820 NZ LYS A 118 11.954 15.069 -10.172 1.00 0.00 N ATOM 0 H LYS A 118 12.836 10.282 -4.387 1.00 0.00 H new ATOM 0 HA LYS A 118 11.996 12.879 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.138 12.545 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.911 10.814 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 118 13.663 11.652 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 118 12.026 11.328 -8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 118 11.610 13.679 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 118 13.306 14.082 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.211 13.391 -10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.511 13.004 -10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.815 15.197 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.077 15.314 -9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 12.723 15.689 -9.847 1.00 0.00 H new ATOM 1834 N ASN A 119 11.202 9.818 -6.429 1.00 0.00 N ATOM 1835 CA ASN A 119 10.112 8.983 -6.907 1.00 0.00 C ATOM 1836 C ASN A 119 9.443 8.255 -5.754 1.00 0.00 C ATOM 1837 O ASN A 119 8.734 7.270 -5.978 1.00 0.00 O ATOM 1838 CB ASN A 119 10.626 7.976 -7.928 1.00 0.00 C ATOM 1839 CG ASN A 119 10.797 8.563 -9.302 1.00 0.00 C ATOM 1840 OD1 ASN A 119 9.981 9.333 -9.783 1.00 0.00 O ATOM 1841 ND2 ASN A 119 11.861 8.186 -9.964 1.00 0.00 N ATOM 0 H ASN A 119 12.096 9.333 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 119 9.374 9.629 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 119 11.582 7.579 -7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.933 7.136 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.026 8.537 -10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.526 7.541 -9.536 1.00 0.00 H new ATOM 1848 N ASN A 120 9.658 8.729 -4.522 1.00 0.00 N ATOM 1849 CA ASN A 120 9.035 8.168 -3.336 1.00 0.00 C ATOM 1850 C ASN A 120 9.648 6.796 -3.039 1.00 0.00 C ATOM 1851 O ASN A 120 8.958 5.793 -2.897 1.00 0.00 O ATOM 1852 CB ASN A 120 7.511 8.107 -3.513 1.00 0.00 C ATOM 1853 CG ASN A 120 6.923 9.152 -4.421 1.00 0.00 C ATOM 1854 OD1 ASN A 120 6.890 10.320 -4.116 1.00 0.00 O ATOM 1855 ND2 ASN A 120 6.469 8.737 -5.585 1.00 0.00 N ATOM 0 H ASN A 120 10.274 9.518 -4.327 1.00 0.00 H new ATOM 0 HA ASN A 120 9.226 8.809 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.247 7.123 -3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.045 8.199 -2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.080 9.407 -6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.506 7.746 -5.823 1.00 0.00 H new ATOM 1862 N GLN A 121 10.974 6.746 -2.931 1.00 0.00 N ATOM 1863 CA GLN A 121 11.680 5.498 -2.674 1.00 0.00 C ATOM 1864 C GLN A 121 11.212 4.875 -1.374 1.00 0.00 C ATOM 1865 O GLN A 121 10.472 3.909 -1.414 1.00 0.00 O ATOM 1866 CB GLN A 121 13.185 5.732 -2.602 1.00 0.00 C ATOM 1867 CG GLN A 121 13.857 5.614 -3.967 1.00 0.00 C ATOM 1868 CD GLN A 121 13.683 6.867 -4.795 1.00 0.00 C ATOM 1869 OE1 GLN A 121 13.018 6.915 -5.810 1.00 0.00 O ATOM 1870 NE2 GLN A 121 14.229 7.959 -4.331 1.00 0.00 N ATOM 0 H GLN A 121 11.581 7.561 -3.018 1.00 0.00 H new ATOM 0 HA GLN A 121 11.461 4.820 -3.499 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.377 6.723 -2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.630 5.010 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.920 5.414 -3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.438 4.763 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 121 14.789 7.927 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN A 121 14.095 8.844 -4.821 1.00 0.00 H new ATOM 1879 N GLY A 122 11.612 5.442 -0.235 1.00 0.00 N ATOM 1880 CA GLY A 122 11.252 4.942 1.075 1.00 0.00 C ATOM 1881 C GLY A 122 12.275 3.997 1.660 1.00 0.00 C ATOM 1882 O GLY A 122 12.647 3.013 1.030 1.00 0.00 O ATOM 0 H GLY A 122 12.203 6.273 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.118 5.785 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.292 4.430 1.009 1.00 0.00 H new ATOM 1886 N LYS A 123 12.738 4.331 2.860 1.00 0.00 N ATOM 1887 CA LYS A 123 13.752 3.555 3.561 1.00 0.00 C ATOM 1888 C LYS A 123 13.391 3.339 5.012 1.00 0.00 C ATOM 1889 O LYS A 123 13.421 2.202 5.431 1.00 0.00 O ATOM 1890 CB LYS A 123 15.126 4.218 3.458 1.00 0.00 C ATOM 1891 CG LYS A 123 15.477 4.659 2.033 1.00 0.00 C ATOM 1892 CD LYS A 123 16.993 4.727 1.838 1.00 0.00 C ATOM 1893 CE LYS A 123 17.560 3.334 1.539 1.00 0.00 C ATOM 1894 NZ LYS A 123 19.013 3.266 1.828 1.00 0.00 N ATOM 0 H LYS A 123 12.418 5.151 3.375 1.00 0.00 H new ATOM 0 HA LYS A 123 13.795 2.581 3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.154 5.085 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.886 3.522 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.045 3.961 1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 123 15.037 5.636 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.230 5.406 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.463 5.133 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 123 17.034 2.590 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 123 17.384 3.085 0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 19.365 2.311 1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 19.517 3.960 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 19.178 3.480 2.832 1.00 0.00 H new ATOM 1908 N GLU A 124 13.062 4.433 5.706 1.00 0.00 N ATOM 1909 CA GLU A 124 12.693 4.395 7.127 1.00 0.00 C ATOM 1910 C GLU A 124 11.774 3.209 7.420 1.00 0.00 C ATOM 1911 O GLU A 124 12.209 2.201 7.968 1.00 0.00 O ATOM 1912 CB GLU A 124 12.013 5.712 7.523 1.00 0.00 C ATOM 1913 CG GLU A 124 12.976 6.759 8.072 1.00 0.00 C ATOM 1914 CD GLU A 124 13.192 6.619 9.581 1.00 0.00 C ATOM 1915 OE1 GLU A 124 13.332 5.467 10.038 1.00 0.00 O ATOM 1916 OE2 GLU A 124 13.298 7.691 10.219 1.00 0.00 O ATOM 0 H GLU A 124 13.044 5.369 5.301 1.00 0.00 H new ATOM 0 HA GLU A 124 13.600 4.271 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.502 6.123 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.249 5.505 8.273 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.935 6.671 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.589 7.754 7.854 1.00 0.00 H new ATOM 1923 N PHE A 125 10.518 3.317 6.998 1.00 0.00 N ATOM 1924 CA PHE A 125 9.516 2.287 7.220 1.00 0.00 C ATOM 1925 C PHE A 125 8.238 2.607 6.458 1.00 0.00 C ATOM 1926 O PHE A 125 8.196 3.591 5.708 1.00 0.00 O ATOM 1927 CB PHE A 125 9.212 2.153 8.717 1.00 0.00 C ATOM 1928 CG PHE A 125 9.125 3.459 9.460 1.00 0.00 C ATOM 1929 CD1 PHE A 125 10.281 4.005 10.040 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.899 4.135 9.560 1.00 0.00 C ATOM 1931 CE1 PHE A 125 10.217 5.234 10.705 1.00 0.00 C ATOM 1932 CE2 PHE A 125 7.834 5.360 10.243 1.00 0.00 C ATOM 1933 CZ PHE A 125 8.995 5.913 10.808 1.00 0.00 C ATOM 0 H PHE A 125 10.167 4.128 6.489 1.00 0.00 H new ATOM 0 HA PHE A 125 9.913 1.341 6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.269 1.619 8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.986 1.539 9.178 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.220 3.476 9.973 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.010 3.715 9.114 1.00 0.00 H new ATOM 0 HE1 PHE A 125 11.109 5.660 11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.890 5.878 10.334 1.00 0.00 H new ATOM 0 HZ PHE A 125 8.946 6.862 11.322 1.00 0.00 H new ATOM 1943 N PHE A 126 7.212 1.773 6.626 1.00 0.00 N ATOM 1944 CA PHE A 126 5.942 1.896 5.932 1.00 0.00 C ATOM 1945 C PHE A 126 4.880 2.397 6.903 1.00 0.00 C ATOM 1946 O PHE A 126 4.168 1.654 7.559 1.00 0.00 O ATOM 1947 CB PHE A 126 5.532 0.574 5.283 1.00 0.00 C ATOM 1948 CG PHE A 126 6.379 0.156 4.113 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.776 0.068 4.235 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.766 -0.153 2.889 1.00 0.00 C ATOM 1951 CE1 PHE A 126 8.567 -0.306 3.149 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.549 -0.597 1.814 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.951 -0.680 1.948 1.00 0.00 C ATOM 0 H PHE A 126 7.247 0.978 7.264 1.00 0.00 H new ATOM 0 HA PHE A 126 6.048 2.621 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.567 -0.211 6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.496 0.653 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 126 8.243 0.293 5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.697 -0.049 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 126 9.644 -0.307 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 126 6.079 -0.876 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 126 8.551 -1.033 1.122 1.00 0.00 H new ATOM 1963 N GLU A 127 4.754 3.703 7.022 1.00 0.00 N ATOM 1964 CA GLU A 127 3.727 4.313 7.849 1.00 0.00 C ATOM 1965 C GLU A 127 2.343 4.241 7.190 1.00 0.00 C ATOM 1966 O GLU A 127 2.123 4.622 6.039 1.00 0.00 O ATOM 1967 CB GLU A 127 4.104 5.755 8.186 1.00 0.00 C ATOM 1968 CG GLU A 127 4.449 6.592 6.952 1.00 0.00 C ATOM 1969 CD GLU A 127 4.077 8.048 7.132 1.00 0.00 C ATOM 1970 OE1 GLU A 127 2.888 8.351 6.885 1.00 0.00 O ATOM 1971 OE2 GLU A 127 4.989 8.823 7.497 1.00 0.00 O ATOM 0 H GLU A 127 5.360 4.374 6.549 1.00 0.00 H new ATOM 0 HA GLU A 127 3.665 3.744 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.276 6.226 8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.957 5.752 8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 127 5.517 6.513 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.928 6.189 6.084 1.00 0.00 H new ATOM 1978 N LYS A 128 1.382 3.676 7.916 1.00 0.00 N ATOM 1979 CA LYS A 128 -0.009 3.608 7.467 1.00 0.00 C ATOM 1980 C LYS A 128 -0.518 4.996 7.085 1.00 0.00 C ATOM 1981 O LYS A 128 -0.366 5.921 7.871 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.894 2.947 8.522 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.723 3.533 9.932 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.816 4.556 10.250 1.00 0.00 C ATOM 1985 CE LYS A 128 -1.939 4.786 11.746 1.00 0.00 C ATOM 1986 NZ LYS A 128 -3.119 5.632 12.050 1.00 0.00 N ATOM 0 H LYS A 128 1.543 3.253 8.830 1.00 0.00 H new ATOM 0 HA LYS A 128 -0.054 2.984 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.937 3.046 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.671 1.880 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.751 2.729 10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.255 4.007 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.590 5.499 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -2.770 4.207 9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -2.029 3.829 12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.035 5.266 12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -2.949 6.161 12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -3.278 6.300 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.958 5.029 12.166 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.041 5.128 5.873 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.632 6.373 5.414 1.00 0.00 C ATOM 2002 C CYS A 129 -2.789 6.806 6.323 1.00 0.00 C ATOM 2003 O CYS A 129 -3.215 6.049 7.203 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.132 6.198 3.980 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.135 7.687 3.001 1.00 0.00 S ATOM 0 H CYS A 129 -1.066 4.376 5.184 1.00 0.00 H new ATOM 0 HA CYS A 129 -0.870 7.152 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.510 5.454 3.482 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.145 5.798 4.010 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.362 7.968 6.024 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.480 8.533 6.782 1.00 0.00 C ATOM 2012 C ASP A 130 -5.315 9.527 5.972 1.00 0.00 C ATOM 2013 O ASP A 130 -4.724 10.213 5.116 1.00 0.00 O ATOM 2014 CB ASP A 130 -3.924 9.203 8.051 1.00 0.00 C ATOM 2015 CG ASP A 130 -3.615 8.212 9.198 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -2.467 7.732 9.339 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -4.444 8.006 10.121 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.550 9.563 6.173 1.00 0.00 O ATOM 0 H ASP A 130 -3.063 8.551 5.242 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.155 7.718 7.041 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.013 9.743 7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.643 9.941 8.405 1.00 0.00 H new TER 2023 ASP A 130