USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 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 67 TYR OH : rot 147:sc= -1.12 USER MOD Set 1.2: A 80 MET CE :methyl 178:sc= -1.11 (180deg=-0.114) USER MOD Set 2.1: A 40 SER OG : rot -169:sc=-0.00463 USER MOD Set 2.2: A 52 ASN : amide:sc= -3.66 K(o=-3.7,f=-5.6!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -2.95 K(o=-5.9,f=-7.3!) USER MOD Set 3.2: A 56 ASN :FLIP amide:sc= -2.99 F(o=-17!,f=-5.9) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -76:sc= 0.711 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.179 USER MOD Single : A 14 CYS SG : rot -123:sc= -0.0158 USER MOD Single : A 16 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.9) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 18 HIS : no HE2:sc= -0.881 K(o=-0.88,f=-7!) USER MOD Single : A 19 THR OG1 : rot 120:sc= -0.873 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.517 K(o=-0.52,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -0.466 F(o=-1.5!,f=-0.47) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -7.38! C(o=-7.9!,f=-7.4!) USER MOD Single : A 42 GLN :FLIP amide:sc= -10.3! C(o=-15!,f=-10!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 165:sc= -0.0627 USER MOD Single : A 49 THR OG1 : rot 140:sc= -0.913 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= 1.27 (180deg=0.573!) USER MOD Single : A 62 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -6.85! C(o=-6.8!,f=-6.6!) USER MOD Single : A 64 MET CE :methyl -141:sc= -0.129 (180deg=-0.799) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 70 ASN : amide:sc= -2.84! C(o=-2.8!,f=-3.4!) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -1.13 F(o=-2.6!,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -147:sc= 0.112 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -0.025 (180deg=-0.308) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.00757 K(o=-0.0076,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 150:sc= -0.828 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= -0.304 (180deg=-0.99) USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= -0.487 (180deg=-1.35!) USER MOD Single : A 102 THR OG1 : rot -130:sc= -0.774 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 13.022 -4.192 -3.885 1.00 0.00 N ATOM 33 CA PHE A -3 12.152 -4.740 -2.807 1.00 0.00 C ATOM 34 C PHE A -3 12.362 -6.251 -2.697 1.00 0.00 C ATOM 35 O PHE A -3 12.338 -6.964 -3.680 1.00 0.00 O ATOM 36 CB PHE A -3 10.685 -4.449 -3.138 1.00 0.00 C ATOM 37 CG PHE A -3 9.783 -5.369 -2.346 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.006 -5.579 -0.977 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.717 -6.017 -2.984 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.165 -6.432 -0.253 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.877 -6.869 -2.258 1.00 0.00 C ATOM 42 CZ PHE A -3 8.102 -7.077 -0.893 1.00 0.00 C ATOM 0 H1 PHE A -3 12.878 -3.165 -3.959 1.00 0.00 H new ATOM 0 H2 PHE A -3 14.018 -4.387 -3.660 1.00 0.00 H new ATOM 0 H3 PHE A -3 12.778 -4.641 -4.790 1.00 0.00 H new ATOM 0 HA PHE A -3 12.410 -4.270 -1.858 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.451 -3.410 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.511 -4.586 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.827 -5.082 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.543 -5.859 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.337 -6.592 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.055 -7.366 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.455 -7.736 -0.333 1.00 0.00 H new ATOM 52 N LYS A -2 12.563 -6.741 -1.502 1.00 0.00 N ATOM 53 CA LYS A -2 12.770 -8.203 -1.314 1.00 0.00 C ATOM 54 C LYS A -2 11.799 -8.714 -0.251 1.00 0.00 C ATOM 55 O LYS A -2 11.669 -8.141 0.812 1.00 0.00 O ATOM 56 CB LYS A -2 14.209 -8.462 -0.860 1.00 0.00 C ATOM 57 CG LYS A -2 14.464 -9.970 -0.809 1.00 0.00 C ATOM 58 CD LYS A -2 15.881 -10.231 -0.295 1.00 0.00 C ATOM 59 CE LYS A -2 16.191 -11.726 -0.389 1.00 0.00 C ATOM 60 NZ LYS A -2 17.383 -11.935 -1.258 1.00 0.00 N ATOM 0 H LYS A -2 12.592 -6.187 -0.646 1.00 0.00 H new ATOM 0 HA LYS A -2 12.590 -8.723 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.909 -7.987 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.377 -8.021 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.735 -10.451 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.340 -10.404 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.602 -9.662 -0.881 1.00 0.00 H new ATOM 0 HD3 LYS A -2 15.972 -9.894 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A -2 16.377 -12.132 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A -2 15.333 -12.261 -0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 17.593 -12.952 -1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 17.189 -11.562 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 18.201 -11.438 -0.851 1.00 0.00 H new ATOM 74 N ALA A -1 11.109 -9.786 -0.530 1.00 0.00 N ATOM 75 CA ALA A -1 10.141 -10.326 0.463 1.00 0.00 C ATOM 76 C ALA A -1 10.894 -10.864 1.680 1.00 0.00 C ATOM 77 O ALA A -1 11.392 -11.973 1.675 1.00 0.00 O ATOM 78 CB ALA A -1 9.331 -11.454 -0.176 1.00 0.00 C ATOM 0 H ALA A -1 11.175 -10.310 -1.403 1.00 0.00 H new ATOM 0 HA ALA A -1 9.469 -9.529 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.622 -11.850 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.789 -11.069 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.004 -12.249 -0.496 1.00 0.00 H new ATOM 84 N GLY A 1 10.973 -10.090 2.728 1.00 0.00 N ATOM 85 CA GLY A 1 11.686 -10.560 3.950 1.00 0.00 C ATOM 86 C GLY A 1 10.718 -11.368 4.814 1.00 0.00 C ATOM 87 O GLY A 1 10.435 -12.516 4.530 1.00 0.00 O ATOM 0 H GLY A 1 10.575 -9.153 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.544 -11.173 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.071 -9.709 4.512 1.00 0.00 H new ATOM 91 N SER A 2 10.202 -10.776 5.859 1.00 0.00 N ATOM 92 CA SER A 2 9.242 -11.508 6.735 1.00 0.00 C ATOM 93 C SER A 2 7.949 -10.699 6.848 1.00 0.00 C ATOM 94 O SER A 2 7.950 -9.569 7.297 1.00 0.00 O ATOM 95 CB SER A 2 9.856 -11.687 8.124 1.00 0.00 C ATOM 96 OG SER A 2 8.987 -12.482 8.922 1.00 0.00 O ATOM 0 H SER A 2 10.404 -9.817 6.143 1.00 0.00 H new ATOM 0 HA SER A 2 9.025 -12.487 6.307 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.833 -12.164 8.044 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.013 -10.716 8.593 1.00 0.00 H new ATOM 0 HG SER A 2 9.378 -12.601 9.813 1.00 0.00 H new ATOM 102 N ALA A 3 6.846 -11.268 6.447 1.00 0.00 N ATOM 103 CA ALA A 3 5.553 -10.532 6.533 1.00 0.00 C ATOM 104 C ALA A 3 5.132 -10.398 7.997 1.00 0.00 C ATOM 105 O ALA A 3 4.511 -9.431 8.389 1.00 0.00 O ATOM 106 CB ALA A 3 4.478 -11.301 5.762 1.00 0.00 C ATOM 0 H ALA A 3 6.784 -12.211 6.063 1.00 0.00 H new ATOM 0 HA ALA A 3 5.673 -9.539 6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 3 3.532 -10.764 5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.775 -11.393 4.717 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.360 -12.294 6.195 1.00 0.00 H new ATOM 112 N LYS A 4 5.457 -11.369 8.806 1.00 0.00 N ATOM 113 CA LYS A 4 5.068 -11.307 10.240 1.00 0.00 C ATOM 114 C LYS A 4 5.676 -10.065 10.881 1.00 0.00 C ATOM 115 O LYS A 4 5.012 -9.308 11.559 1.00 0.00 O ATOM 116 CB LYS A 4 5.615 -12.540 10.950 1.00 0.00 C ATOM 117 CG LYS A 4 5.154 -13.790 10.211 1.00 0.00 C ATOM 118 CD LYS A 4 5.676 -15.037 10.928 1.00 0.00 C ATOM 119 CE LYS A 4 5.006 -15.158 12.299 1.00 0.00 C ATOM 120 NZ LYS A 4 5.000 -16.587 12.723 1.00 0.00 N ATOM 0 H LYS A 4 5.976 -12.204 8.533 1.00 0.00 H new ATOM 0 HA LYS A 4 3.982 -11.269 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.704 -12.503 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.267 -12.564 11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.065 -13.815 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.517 -13.771 9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.469 -15.925 10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.758 -14.976 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.540 -14.552 13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.986 -14.777 12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.545 -16.671 13.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.473 -17.153 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.978 -16.935 12.783 1.00 0.00 H new ATOM 134 N LYS A 5 6.941 -9.861 10.669 1.00 0.00 N ATOM 135 CA LYS A 5 7.613 -8.675 11.264 1.00 0.00 C ATOM 136 C LYS A 5 6.969 -7.392 10.737 1.00 0.00 C ATOM 137 O LYS A 5 6.661 -6.489 11.488 1.00 0.00 O ATOM 138 CB LYS A 5 9.094 -8.695 10.884 1.00 0.00 C ATOM 139 CG LYS A 5 9.766 -9.919 11.511 1.00 0.00 C ATOM 140 CD LYS A 5 11.269 -9.877 11.227 1.00 0.00 C ATOM 141 CE LYS A 5 11.923 -11.158 11.748 1.00 0.00 C ATOM 142 NZ LYS A 5 13.235 -10.827 12.374 1.00 0.00 N ATOM 0 H LYS A 5 7.542 -10.465 10.108 1.00 0.00 H new ATOM 0 HA LYS A 5 7.509 -8.706 12.349 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.202 -8.723 9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.581 -7.783 11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.589 -9.934 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.334 -10.833 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.445 -9.776 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.716 -9.007 11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.272 -11.641 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.066 -11.865 10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.680 -11.698 12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.855 -10.384 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.086 -10.168 13.165 1.00 0.00 H new ATOM 156 N GLY A 6 6.754 -7.305 9.453 1.00 0.00 N ATOM 157 CA GLY A 6 6.123 -6.077 8.892 1.00 0.00 C ATOM 158 C GLY A 6 4.678 -5.982 9.382 1.00 0.00 C ATOM 159 O GLY A 6 4.160 -4.908 9.607 1.00 0.00 O ATOM 0 H GLY A 6 6.987 -8.027 8.771 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.682 -5.194 9.200 1.00 0.00 H new ATOM 0 HA3 GLY A 6 6.148 -6.106 7.803 1.00 0.00 H new ATOM 163 N ALA A 7 4.021 -7.101 9.546 1.00 0.00 N ATOM 164 CA ALA A 7 2.610 -7.066 10.022 1.00 0.00 C ATOM 165 C ALA A 7 2.550 -6.294 11.337 1.00 0.00 C ATOM 166 O ALA A 7 1.678 -5.475 11.551 1.00 0.00 O ATOM 167 CB ALA A 7 2.109 -8.495 10.243 1.00 0.00 C ATOM 0 H ALA A 7 4.400 -8.032 9.371 1.00 0.00 H new ATOM 0 HA ALA A 7 1.981 -6.577 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.076 -8.469 10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.162 -9.048 9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.732 -8.987 10.990 1.00 0.00 H new ATOM 173 N THR A 8 3.486 -6.531 12.213 1.00 0.00 N ATOM 174 CA THR A 8 3.499 -5.793 13.501 1.00 0.00 C ATOM 175 C THR A 8 3.727 -4.319 13.196 1.00 0.00 C ATOM 176 O THR A 8 3.075 -3.442 13.728 1.00 0.00 O ATOM 177 CB THR A 8 4.650 -6.315 14.356 1.00 0.00 C ATOM 178 OG1 THR A 8 5.884 -6.004 13.725 1.00 0.00 O ATOM 179 CG2 THR A 8 4.524 -7.830 14.511 1.00 0.00 C ATOM 0 H THR A 8 4.242 -7.205 12.090 1.00 0.00 H new ATOM 0 HA THR A 8 2.558 -5.929 14.034 1.00 0.00 H new ATOM 0 HB THR A 8 4.615 -5.846 15.339 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.031 -6.617 12.975 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.346 -8.203 15.122 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.576 -8.069 14.994 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.560 -8.300 13.528 1.00 0.00 H new ATOM 187 N LEU A 9 4.649 -4.057 12.319 1.00 0.00 N ATOM 188 CA LEU A 9 4.951 -2.658 11.922 1.00 0.00 C ATOM 189 C LEU A 9 3.715 -2.034 11.274 1.00 0.00 C ATOM 190 O LEU A 9 3.384 -0.888 11.506 1.00 0.00 O ATOM 191 CB LEU A 9 6.089 -2.687 10.907 1.00 0.00 C ATOM 192 CG LEU A 9 7.348 -3.259 11.561 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.492 -3.224 10.556 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.730 -2.419 12.783 1.00 0.00 C ATOM 0 H LEU A 9 5.216 -4.765 11.852 1.00 0.00 H new ATOM 0 HA LEU A 9 5.233 -2.071 12.796 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.807 -3.294 10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.285 -1.681 10.537 1.00 0.00 H new ATOM 0 HG LEU A 9 7.155 -4.285 11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.393 -3.630 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.228 -3.822 9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.675 -2.194 10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.627 -2.833 13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.922 -1.392 12.473 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.913 -2.434 13.504 1.00 0.00 H new ATOM 206 N PHE A 10 3.037 -2.790 10.461 1.00 0.00 N ATOM 207 CA PHE A 10 1.820 -2.271 9.777 1.00 0.00 C ATOM 208 C PHE A 10 0.772 -1.872 10.820 1.00 0.00 C ATOM 209 O PHE A 10 0.184 -0.811 10.752 1.00 0.00 O ATOM 210 CB PHE A 10 1.257 -3.382 8.881 1.00 0.00 C ATOM 211 CG PHE A 10 0.116 -2.852 8.043 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.194 -2.894 8.536 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.369 -2.329 6.769 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.251 -2.411 7.754 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.689 -1.844 5.989 1.00 0.00 C ATOM 216 CZ PHE A 10 -1.998 -1.886 6.482 1.00 0.00 C ATOM 0 H PHE A 10 3.275 -3.756 10.238 1.00 0.00 H new ATOM 0 HA PHE A 10 2.072 -1.396 9.178 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.043 -3.770 8.233 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.911 -4.213 9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.389 -3.298 9.518 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.379 -2.299 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.262 -2.444 8.133 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.494 -1.438 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.814 -1.513 5.880 1.00 0.00 H new ATOM 226 N LYS A 11 0.531 -2.723 11.780 1.00 0.00 N ATOM 227 CA LYS A 11 -0.482 -2.414 12.826 1.00 0.00 C ATOM 228 C LYS A 11 -0.057 -1.199 13.656 1.00 0.00 C ATOM 229 O LYS A 11 -0.880 -0.428 14.100 1.00 0.00 O ATOM 230 CB LYS A 11 -0.633 -3.628 13.744 1.00 0.00 C ATOM 231 CG LYS A 11 -1.205 -4.803 12.949 1.00 0.00 C ATOM 232 CD LYS A 11 -1.463 -5.979 13.891 1.00 0.00 C ATOM 233 CE LYS A 11 -1.920 -7.193 13.079 1.00 0.00 C ATOM 234 NZ LYS A 11 -3.179 -7.736 13.664 1.00 0.00 N ATOM 0 H LYS A 11 0.996 -3.625 11.884 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.431 -2.184 12.341 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.334 -3.899 14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.291 -3.386 14.579 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.132 -4.507 12.458 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.509 -5.098 12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.556 -6.220 14.446 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.224 -5.711 14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.082 -6.908 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.145 -7.959 13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.490 -8.561 13.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.009 -8.022 14.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.917 -7.004 13.639 1.00 0.00 H new ATOM 248 N THR A 12 1.214 -1.033 13.894 1.00 0.00 N ATOM 249 CA THR A 12 1.667 0.124 14.724 1.00 0.00 C ATOM 250 C THR A 12 2.072 1.304 13.839 1.00 0.00 C ATOM 251 O THR A 12 2.426 2.359 14.330 1.00 0.00 O ATOM 252 CB THR A 12 2.864 -0.303 15.576 1.00 0.00 C ATOM 253 OG1 THR A 12 3.959 -0.614 14.728 1.00 0.00 O ATOM 254 CG2 THR A 12 2.490 -1.534 16.404 1.00 0.00 C ATOM 0 H THR A 12 1.957 -1.643 13.553 1.00 0.00 H new ATOM 0 HA THR A 12 0.842 0.437 15.364 1.00 0.00 H new ATOM 0 HB THR A 12 3.143 0.510 16.246 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.823 -1.499 14.330 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.343 -1.837 17.011 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.649 -1.293 17.055 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.210 -2.350 15.737 1.00 0.00 H new ATOM 262 N ARG A 13 2.034 1.150 12.547 1.00 0.00 N ATOM 263 CA ARG A 13 2.430 2.283 11.665 1.00 0.00 C ATOM 264 C ARG A 13 1.613 2.257 10.375 1.00 0.00 C ATOM 265 O ARG A 13 2.013 2.811 9.372 1.00 0.00 O ATOM 266 CB ARG A 13 3.915 2.157 11.321 1.00 0.00 C ATOM 267 CG ARG A 13 4.743 2.274 12.602 1.00 0.00 C ATOM 268 CD ARG A 13 6.231 2.306 12.249 1.00 0.00 C ATOM 269 NE ARG A 13 7.039 2.211 13.498 1.00 0.00 N ATOM 270 CZ ARG A 13 8.321 1.979 13.429 1.00 0.00 C ATOM 271 NH1 ARG A 13 8.896 1.832 12.267 1.00 0.00 N ATOM 272 NH2 ARG A 13 9.028 1.897 14.522 1.00 0.00 N ATOM 0 H ARG A 13 1.749 0.297 12.065 1.00 0.00 H new ATOM 0 HA ARG A 13 2.244 3.222 12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.108 1.200 10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.204 2.936 10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.468 3.179 13.144 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.533 1.432 13.261 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.475 1.480 11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.470 3.227 11.717 1.00 0.00 H new ATOM 0 HE ARG A 13 6.590 2.327 14.406 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.343 1.898 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.898 1.651 12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.579 2.014 15.430 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.030 1.716 14.469 1.00 0.00 H new ATOM 286 N CYS A 14 0.483 1.610 10.379 1.00 0.00 N ATOM 287 CA CYS A 14 -0.325 1.547 9.131 1.00 0.00 C ATOM 288 C CYS A 14 -1.678 0.890 9.423 1.00 0.00 C ATOM 289 O CYS A 14 -1.969 -0.183 8.937 1.00 0.00 O ATOM 290 CB CYS A 14 0.444 0.702 8.117 1.00 0.00 C ATOM 291 SG CYS A 14 -0.088 1.089 6.424 1.00 0.00 S ATOM 0 H CYS A 14 0.086 1.126 11.184 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.499 2.550 8.741 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.513 0.887 8.219 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.283 -0.356 8.321 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.503 0.004 5.841 1.00 0.00 H new ATOM 296 N LEU A 15 -2.510 1.521 10.206 1.00 0.00 N ATOM 297 CA LEU A 15 -3.839 0.915 10.512 1.00 0.00 C ATOM 298 C LEU A 15 -4.886 2.018 10.690 1.00 0.00 C ATOM 299 O LEU A 15 -6.044 1.846 10.365 1.00 0.00 O ATOM 300 CB LEU A 15 -3.749 0.075 11.793 1.00 0.00 C ATOM 301 CG LEU A 15 -3.425 0.968 12.997 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.435 0.118 14.269 1.00 0.00 C ATOM 303 CD2 LEU A 15 -2.040 1.595 12.820 1.00 0.00 C ATOM 0 H LEU A 15 -2.330 2.424 10.645 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.134 0.272 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.692 -0.445 11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.979 -0.689 11.681 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.171 1.759 13.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.205 0.747 15.129 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.420 -0.330 14.400 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.687 -0.670 14.186 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.815 2.228 13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.291 0.807 12.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.027 2.197 11.911 1.00 0.00 H new ATOM 315 N GLN A 16 -4.488 3.148 11.205 1.00 0.00 N ATOM 316 CA GLN A 16 -5.462 4.258 11.403 1.00 0.00 C ATOM 317 C GLN A 16 -6.190 4.536 10.087 1.00 0.00 C ATOM 318 O GLN A 16 -7.328 4.961 10.074 1.00 0.00 O ATOM 319 CB GLN A 16 -4.716 5.517 11.852 1.00 0.00 C ATOM 320 CG GLN A 16 -3.861 6.043 10.698 1.00 0.00 C ATOM 321 CD GLN A 16 -2.919 7.132 11.216 1.00 0.00 C ATOM 322 OE1 GLN A 16 -2.357 7.007 12.286 1.00 0.00 O ATOM 323 NE2 GLN A 16 -2.720 8.202 10.495 1.00 0.00 N ATOM 0 H GLN A 16 -3.532 3.351 11.497 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.187 3.975 12.166 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.427 6.280 12.169 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.086 5.292 12.712 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.286 5.229 10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.500 6.444 9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.192 8.307 9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.093 8.933 10.830 1.00 0.00 H new ATOM 332 N CYS A 17 -5.540 4.296 8.981 1.00 0.00 N ATOM 333 CA CYS A 17 -6.189 4.541 7.661 1.00 0.00 C ATOM 334 C CYS A 17 -6.540 3.196 7.020 1.00 0.00 C ATOM 335 O CYS A 17 -7.696 2.837 6.914 1.00 0.00 O ATOM 336 CB CYS A 17 -5.224 5.319 6.767 1.00 0.00 C ATOM 337 SG CYS A 17 -5.031 6.998 7.424 1.00 0.00 S ATOM 0 H CYS A 17 -4.585 3.940 8.934 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.102 5.123 7.790 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.258 4.816 6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.604 5.356 5.746 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.209 7.667 6.671 1.00 0.00 H new ATOM 342 N HIS A 18 -5.558 2.435 6.616 1.00 0.00 N ATOM 343 CA HIS A 18 -5.860 1.103 6.016 1.00 0.00 C ATOM 344 C HIS A 18 -6.105 0.121 7.161 1.00 0.00 C ATOM 345 O HIS A 18 -5.214 -0.585 7.591 1.00 0.00 O ATOM 346 CB HIS A 18 -4.673 0.619 5.177 1.00 0.00 C ATOM 347 CG HIS A 18 -4.395 1.592 4.063 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.087 1.565 2.859 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.489 2.612 3.953 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.584 2.545 2.080 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.613 3.207 2.705 1.00 0.00 N ATOM 0 H HIS A 18 -4.568 2.675 6.675 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.735 1.173 5.369 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.790 0.515 5.808 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.888 -0.367 4.764 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.838 0.922 2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.787 2.908 4.718 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.925 2.764 1.079 1.00 0.00 H new ATOM 359 N THR A 19 -7.302 0.091 7.674 1.00 0.00 N ATOM 360 CA THR A 19 -7.606 -0.820 8.813 1.00 0.00 C ATOM 361 C THR A 19 -7.239 -2.263 8.450 1.00 0.00 C ATOM 362 O THR A 19 -6.769 -3.017 9.279 1.00 0.00 O ATOM 363 CB THR A 19 -9.099 -0.738 9.140 1.00 0.00 C ATOM 364 OG1 THR A 19 -9.472 0.624 9.298 1.00 0.00 O ATOM 365 CG2 THR A 19 -9.383 -1.495 10.438 1.00 0.00 C ATOM 0 H THR A 19 -8.086 0.659 7.353 1.00 0.00 H new ATOM 0 HA THR A 19 -7.020 -0.516 9.680 1.00 0.00 H new ATOM 0 HB THR A 19 -9.673 -1.184 8.328 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.160 0.853 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.447 -1.435 10.669 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.095 -2.540 10.320 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.810 -1.050 11.251 1.00 0.00 H new ATOM 373 N VAL A 20 -7.452 -2.660 7.225 1.00 0.00 N ATOM 374 CA VAL A 20 -7.117 -4.056 6.828 1.00 0.00 C ATOM 375 C VAL A 20 -7.586 -5.025 7.919 1.00 0.00 C ATOM 376 O VAL A 20 -6.840 -5.861 8.388 1.00 0.00 O ATOM 377 CB VAL A 20 -5.608 -4.181 6.633 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.226 -5.651 6.449 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.198 -3.396 5.388 1.00 0.00 C ATOM 0 H VAL A 20 -7.843 -2.079 6.484 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.620 -4.301 5.893 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.097 -3.784 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.148 -5.732 6.310 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.522 -6.217 7.332 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.736 -6.052 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.121 -3.481 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.715 -3.799 4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.465 -2.347 5.515 1.00 0.00 H new ATOM 389 N GLU A 21 -8.821 -4.922 8.322 1.00 0.00 N ATOM 390 CA GLU A 21 -9.342 -5.841 9.371 1.00 0.00 C ATOM 391 C GLU A 21 -9.917 -7.082 8.680 1.00 0.00 C ATOM 392 O GLU A 21 -10.690 -7.827 9.246 1.00 0.00 O ATOM 393 CB GLU A 21 -10.440 -5.130 10.172 1.00 0.00 C ATOM 394 CG GLU A 21 -10.699 -5.876 11.486 1.00 0.00 C ATOM 395 CD GLU A 21 -11.851 -5.203 12.234 1.00 0.00 C ATOM 396 OE1 GLU A 21 -12.388 -4.241 11.712 1.00 0.00 O ATOM 397 OE2 GLU A 21 -12.175 -5.662 13.317 1.00 0.00 O ATOM 0 H GLU A 21 -9.493 -4.240 7.970 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.544 -6.133 10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.142 -4.103 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.357 -5.083 9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.943 -6.919 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.800 -5.873 12.102 1.00 0.00 H new ATOM 404 N LYS A 22 -9.544 -7.303 7.449 1.00 0.00 N ATOM 405 CA LYS A 22 -10.061 -8.482 6.713 1.00 0.00 C ATOM 406 C LYS A 22 -11.536 -8.260 6.374 1.00 0.00 C ATOM 407 O LYS A 22 -12.416 -8.893 6.921 1.00 0.00 O ATOM 408 CB LYS A 22 -9.902 -9.724 7.580 1.00 0.00 C ATOM 409 CG LYS A 22 -9.707 -10.938 6.680 1.00 0.00 C ATOM 410 CD LYS A 22 -8.234 -11.053 6.284 1.00 0.00 C ATOM 411 CE LYS A 22 -7.484 -11.859 7.345 1.00 0.00 C ATOM 412 NZ LYS A 22 -7.450 -13.295 6.947 1.00 0.00 N ATOM 0 H LYS A 22 -8.900 -6.712 6.923 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.501 -8.619 5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.048 -9.610 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.782 -9.859 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.026 -11.842 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.327 -10.846 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.144 -11.538 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.794 -10.061 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.469 -11.478 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.974 -11.750 8.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.940 -13.843 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.422 -13.655 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.964 -13.390 6.032 1.00 0.00 H new ATOM 426 N GLY A 23 -11.810 -7.356 5.472 1.00 0.00 N ATOM 427 CA GLY A 23 -13.225 -7.082 5.094 1.00 0.00 C ATOM 428 C GLY A 23 -13.848 -6.124 6.110 1.00 0.00 C ATOM 429 O GLY A 23 -15.003 -6.246 6.466 1.00 0.00 O ATOM 0 H GLY A 23 -11.114 -6.795 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.268 -6.648 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.791 -8.013 5.062 1.00 0.00 H new ATOM 433 N GLY A 24 -13.091 -5.170 6.583 1.00 0.00 N ATOM 434 CA GLY A 24 -13.643 -4.207 7.579 1.00 0.00 C ATOM 435 C GLY A 24 -14.025 -2.902 6.878 1.00 0.00 C ATOM 436 O GLY A 24 -13.726 -2.697 5.718 1.00 0.00 O ATOM 0 H GLY A 24 -12.117 -5.016 6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.516 -4.637 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.905 -4.011 8.357 1.00 0.00 H new ATOM 440 N PRO A 25 -14.684 -2.024 7.587 1.00 0.00 N ATOM 441 CA PRO A 25 -15.124 -0.706 7.045 1.00 0.00 C ATOM 442 C PRO A 25 -13.959 0.083 6.440 1.00 0.00 C ATOM 443 O PRO A 25 -12.810 -0.147 6.765 1.00 0.00 O ATOM 444 CB PRO A 25 -15.702 0.036 8.259 1.00 0.00 C ATOM 445 CG PRO A 25 -15.315 -0.763 9.463 1.00 0.00 C ATOM 446 CD PRO A 25 -15.078 -2.193 8.987 1.00 0.00 C ATOM 0 HA PRO A 25 -15.846 -0.828 6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.305 1.049 8.321 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.786 0.123 8.182 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.416 -0.355 9.924 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.102 -0.732 10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.298 -2.685 9.567 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.977 -2.802 9.081 1.00 0.00 H new ATOM 454 N HIS A 26 -14.242 1.004 5.560 1.00 0.00 N ATOM 455 CA HIS A 26 -13.143 1.793 4.937 1.00 0.00 C ATOM 456 C HIS A 26 -13.047 3.166 5.602 1.00 0.00 C ATOM 457 O HIS A 26 -14.040 3.813 5.869 1.00 0.00 O ATOM 458 CB HIS A 26 -13.428 1.990 3.447 1.00 0.00 C ATOM 459 CG HIS A 26 -13.562 0.654 2.771 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.474 -0.009 2.221 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.649 -0.154 2.540 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.927 -1.160 1.689 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.243 -1.294 1.858 1.00 0.00 N ATOM 0 H HIS A 26 -15.183 1.243 5.247 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.206 1.252 5.068 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.343 2.567 3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.622 2.561 2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.663 0.064 2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.302 -1.885 1.188 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.829 -2.071 1.551 1.00 0.00 H new ATOM 472 N LYS A 27 -11.852 3.619 5.855 1.00 0.00 N ATOM 473 CA LYS A 27 -11.675 4.956 6.485 1.00 0.00 C ATOM 474 C LYS A 27 -11.222 5.942 5.406 1.00 0.00 C ATOM 475 O LYS A 27 -11.654 5.870 4.273 1.00 0.00 O ATOM 476 CB LYS A 27 -10.615 4.865 7.587 1.00 0.00 C ATOM 477 CG LYS A 27 -11.101 3.910 8.680 1.00 0.00 C ATOM 478 CD LYS A 27 -10.099 3.905 9.836 1.00 0.00 C ATOM 479 CE LYS A 27 -10.526 2.867 10.876 1.00 0.00 C ATOM 480 NZ LYS A 27 -11.536 3.468 11.792 1.00 0.00 N ATOM 0 H LYS A 27 -10.987 3.119 5.652 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.613 5.294 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.672 4.510 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.427 5.852 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.083 4.219 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.211 2.904 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.100 3.674 9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.049 4.894 10.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.944 1.991 10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.660 2.528 11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.827 2.763 12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.121 4.291 12.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.366 3.770 11.243 1.00 0.00 H new ATOM 494 N VAL A 28 -10.354 6.858 5.736 1.00 0.00 N ATOM 495 CA VAL A 28 -9.886 7.828 4.708 1.00 0.00 C ATOM 496 C VAL A 28 -9.268 7.057 3.541 1.00 0.00 C ATOM 497 O VAL A 28 -9.439 7.411 2.391 1.00 0.00 O ATOM 498 CB VAL A 28 -8.835 8.757 5.317 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.213 9.618 4.216 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.496 9.664 6.356 1.00 0.00 C ATOM 0 H VAL A 28 -9.951 6.976 6.666 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.729 8.422 4.355 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.058 8.160 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.464 10.280 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.741 8.974 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.990 10.214 3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.747 10.326 6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.273 10.260 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.940 9.053 7.142 1.00 0.00 H new ATOM 510 N GLY A 29 -8.556 6.001 3.831 1.00 0.00 N ATOM 511 CA GLY A 29 -7.927 5.200 2.743 1.00 0.00 C ATOM 512 C GLY A 29 -8.651 3.857 2.617 1.00 0.00 C ATOM 513 O GLY A 29 -9.315 3.412 3.532 1.00 0.00 O ATOM 0 H GLY A 29 -8.383 5.659 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.979 5.744 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.871 5.038 2.960 1.00 0.00 H new ATOM 517 N PRO A 30 -8.523 3.220 1.484 1.00 0.00 N ATOM 518 CA PRO A 30 -9.174 1.905 1.215 1.00 0.00 C ATOM 519 C PRO A 30 -8.712 0.812 2.184 1.00 0.00 C ATOM 520 O PRO A 30 -7.612 0.845 2.697 1.00 0.00 O ATOM 521 CB PRO A 30 -8.750 1.556 -0.218 1.00 0.00 C ATOM 522 CG PRO A 30 -7.588 2.441 -0.531 1.00 0.00 C ATOM 523 CD PRO A 30 -7.740 3.689 0.334 1.00 0.00 C ATOM 0 HA PRO A 30 -10.255 1.968 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.472 0.505 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.568 1.724 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.647 1.934 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.575 2.703 -1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.772 4.083 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.253 4.488 -0.201 1.00 0.00 H new ATOM 531 N ASN A 31 -9.548 -0.160 2.429 1.00 0.00 N ATOM 532 CA ASN A 31 -9.164 -1.263 3.354 1.00 0.00 C ATOM 533 C ASN A 31 -7.823 -1.847 2.908 1.00 0.00 C ATOM 534 O ASN A 31 -7.125 -2.476 3.676 1.00 0.00 O ATOM 535 CB ASN A 31 -10.233 -2.357 3.325 1.00 0.00 C ATOM 536 CG ASN A 31 -10.013 -3.318 4.494 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.735 -4.569 4.249 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 -10.097 -2.927 5.641 1.00 0.00 N flip ATOM 0 H ASN A 31 -10.482 -0.238 2.027 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.077 -0.874 4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.226 -1.912 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.187 -2.900 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.314 -1.949 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.950 -3.577 6.413 1.00 0.00 H new ATOM 545 N LEU A 32 -7.467 -1.648 1.667 1.00 0.00 N ATOM 546 CA LEU A 32 -6.178 -2.188 1.149 1.00 0.00 C ATOM 547 C LEU A 32 -6.245 -3.713 1.124 1.00 0.00 C ATOM 548 O LEU A 32 -5.445 -4.395 1.734 1.00 0.00 O ATOM 549 CB LEU A 32 -5.025 -1.729 2.056 1.00 0.00 C ATOM 550 CG LEU A 32 -3.686 -1.836 1.318 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.703 -0.936 0.086 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.566 -1.363 2.240 1.00 0.00 C ATOM 0 H LEU A 32 -8.020 -1.130 0.984 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.004 -1.817 0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.191 -0.699 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.999 -2.340 2.959 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.525 -2.872 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.749 -1.015 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.508 -1.246 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.864 0.098 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.611 -1.437 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.744 -0.326 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.542 -1.987 3.133 1.00 0.00 H new ATOM 564 N HIS A 33 -7.200 -4.250 0.417 1.00 0.00 N ATOM 565 CA HIS A 33 -7.336 -5.727 0.340 1.00 0.00 C ATOM 566 C HIS A 33 -7.690 -6.134 -1.092 1.00 0.00 C ATOM 567 O HIS A 33 -7.785 -7.302 -1.409 1.00 0.00 O ATOM 568 CB HIS A 33 -8.445 -6.181 1.288 1.00 0.00 C ATOM 569 CG HIS A 33 -7.887 -7.174 2.265 1.00 0.00 C ATOM 570 ND1 HIS A 33 -8.098 -8.520 2.422 1.00 0.00 N flip ATOM 571 CD2 HIS A 33 -6.971 -6.815 3.243 1.00 0.00 C flip ATOM 572 CE1 HIS A 33 -7.327 -8.989 3.479 1.00 0.00 C flip ATOM 573 NE2 HIS A 33 -6.666 -7.924 3.939 1.00 0.00 N flip ATOM 0 H HIS A 33 -7.895 -3.724 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.395 -6.196 0.627 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.858 -5.324 1.819 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.262 -6.630 0.722 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.724 -9.089 1.852 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.575 -5.825 3.414 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.274 -10.002 3.850 1.00 0.00 H new ATOM 582 N GLY A 34 -7.897 -5.175 -1.957 1.00 0.00 N ATOM 583 CA GLY A 34 -8.256 -5.508 -3.368 1.00 0.00 C ATOM 584 C GLY A 34 -7.413 -4.678 -4.343 1.00 0.00 C ATOM 585 O GLY A 34 -7.571 -4.777 -5.543 1.00 0.00 O ATOM 0 H GLY A 34 -7.833 -4.179 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.094 -6.570 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.315 -5.314 -3.536 1.00 0.00 H new ATOM 589 N ILE A 35 -6.517 -3.866 -3.850 1.00 0.00 N ATOM 590 CA ILE A 35 -5.678 -3.047 -4.773 1.00 0.00 C ATOM 591 C ILE A 35 -5.030 -3.959 -5.816 1.00 0.00 C ATOM 592 O ILE A 35 -4.901 -3.604 -6.970 1.00 0.00 O ATOM 593 CB ILE A 35 -4.589 -2.300 -3.967 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.185 -0.991 -3.408 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.375 -1.992 -4.864 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.073 -0.073 -2.888 1.00 0.00 C ATOM 0 H ILE A 35 -6.330 -3.734 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.304 -2.313 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.253 -2.929 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.751 -0.481 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.884 -1.218 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.617 -1.466 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.958 -2.924 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.689 -1.367 -5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.512 0.845 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.525 -0.579 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.390 0.169 -3.703 1.00 0.00 H new ATOM 608 N PHE A 36 -4.607 -5.122 -5.418 1.00 0.00 N ATOM 609 CA PHE A 36 -3.948 -6.048 -6.381 1.00 0.00 C ATOM 610 C PHE A 36 -5.001 -6.791 -7.206 1.00 0.00 C ATOM 611 O PHE A 36 -6.022 -7.210 -6.700 1.00 0.00 O ATOM 612 CB PHE A 36 -3.100 -7.049 -5.597 1.00 0.00 C ATOM 613 CG PHE A 36 -2.006 -6.299 -4.876 1.00 0.00 C ATOM 614 CD1 PHE A 36 -2.291 -5.625 -3.684 1.00 0.00 C ATOM 615 CD2 PHE A 36 -0.714 -6.264 -5.410 1.00 0.00 C ATOM 616 CE1 PHE A 36 -1.282 -4.915 -3.023 1.00 0.00 C ATOM 617 CE2 PHE A 36 0.296 -5.552 -4.750 1.00 0.00 C ATOM 618 CZ PHE A 36 0.012 -4.878 -3.556 1.00 0.00 C ATOM 0 H PHE A 36 -4.688 -5.475 -4.464 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.316 -5.478 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.720 -7.591 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.669 -7.789 -6.272 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.290 -5.652 -3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.495 -6.785 -6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.502 -4.396 -2.102 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.294 -5.523 -5.162 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.791 -4.330 -3.047 1.00 0.00 H new ATOM 628 N GLY A 37 -4.753 -6.956 -8.480 1.00 0.00 N ATOM 629 CA GLY A 37 -5.729 -7.671 -9.352 1.00 0.00 C ATOM 630 C GLY A 37 -6.421 -6.672 -10.284 1.00 0.00 C ATOM 631 O GLY A 37 -6.447 -5.485 -10.028 1.00 0.00 O ATOM 0 H GLY A 37 -3.913 -6.625 -8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.216 -8.434 -9.938 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.470 -8.184 -8.739 1.00 0.00 H new ATOM 635 N ARG A 38 -6.984 -7.154 -11.361 1.00 0.00 N ATOM 636 CA ARG A 38 -7.684 -6.252 -12.327 1.00 0.00 C ATOM 637 C ARG A 38 -6.942 -4.920 -12.446 1.00 0.00 C ATOM 638 O ARG A 38 -5.773 -4.816 -12.135 1.00 0.00 O ATOM 639 CB ARG A 38 -9.112 -5.992 -11.841 1.00 0.00 C ATOM 640 CG ARG A 38 -9.910 -7.299 -11.819 1.00 0.00 C ATOM 641 CD ARG A 38 -10.262 -7.721 -13.250 1.00 0.00 C ATOM 642 NE ARG A 38 -11.320 -8.770 -13.209 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.002 -10.006 -12.939 1.00 0.00 C ATOM 644 NH1 ARG A 38 -9.758 -10.325 -12.705 1.00 0.00 N ATOM 645 NH2 ARG A 38 -11.928 -10.925 -12.904 1.00 0.00 N ATOM 0 H ARG A 38 -6.990 -8.142 -11.616 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.706 -6.735 -13.304 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.090 -5.554 -10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.601 -5.270 -12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.328 -8.082 -11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.821 -7.169 -11.235 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.610 -6.860 -13.820 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.376 -8.102 -13.757 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.292 -8.522 -13.392 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.034 -9.608 -12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.510 -11.292 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.900 -10.677 -13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.680 -11.892 -12.693 1.00 0.00 H new ATOM 659 N HIS A 39 -7.620 -3.902 -12.902 1.00 0.00 N ATOM 660 CA HIS A 39 -6.966 -2.573 -13.055 1.00 0.00 C ATOM 661 C HIS A 39 -6.908 -1.873 -11.700 1.00 0.00 C ATOM 662 O HIS A 39 -7.292 -2.426 -10.688 1.00 0.00 O ATOM 663 CB HIS A 39 -7.775 -1.724 -14.038 1.00 0.00 C ATOM 664 CG HIS A 39 -7.957 -2.488 -15.320 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.865 -2.095 -16.294 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.361 -3.629 -15.800 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.791 -2.986 -17.301 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.890 -3.938 -17.048 1.00 0.00 N ATOM 0 H HIS A 39 -8.602 -3.935 -13.176 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.953 -2.705 -13.434 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.745 -1.475 -13.609 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.261 -0.782 -14.232 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.599 -4.198 -15.287 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.386 -2.937 -18.201 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.642 -4.727 -17.645 1.00 0.00 H new ATOM 677 N SER A 40 -6.414 -0.669 -11.668 1.00 0.00 N ATOM 678 CA SER A 40 -6.313 0.055 -10.376 1.00 0.00 C ATOM 679 C SER A 40 -7.707 0.361 -9.828 1.00 0.00 C ATOM 680 O SER A 40 -8.691 0.323 -10.539 1.00 0.00 O ATOM 681 CB SER A 40 -5.547 1.359 -10.584 1.00 0.00 C ATOM 682 OG SER A 40 -6.388 2.295 -11.243 1.00 0.00 O ATOM 0 H SER A 40 -6.076 -0.156 -12.482 1.00 0.00 H new ATOM 0 HA SER A 40 -5.784 -0.572 -9.659 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.219 1.759 -9.625 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.650 1.177 -11.177 1.00 0.00 H new ATOM 0 HG SER A 40 -5.855 3.063 -11.537 1.00 0.00 H new ATOM 688 N GLY A 41 -7.792 0.667 -8.561 1.00 0.00 N ATOM 689 CA GLY A 41 -9.113 0.977 -7.948 1.00 0.00 C ATOM 690 C GLY A 41 -10.011 -0.258 -8.018 1.00 0.00 C ATOM 691 O GLY A 41 -10.630 -0.528 -9.029 1.00 0.00 O ATOM 0 H GLY A 41 -6.998 0.715 -7.922 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.981 1.285 -6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.582 1.811 -8.471 1.00 0.00 H new ATOM 695 N GLN A 42 -10.082 -1.015 -6.953 1.00 0.00 N ATOM 696 CA GLN A 42 -10.933 -2.244 -6.966 1.00 0.00 C ATOM 697 C GLN A 42 -11.733 -2.359 -5.665 1.00 0.00 C ATOM 698 O GLN A 42 -12.423 -3.334 -5.442 1.00 0.00 O ATOM 699 CB GLN A 42 -10.038 -3.477 -7.111 1.00 0.00 C ATOM 700 CG GLN A 42 -9.271 -3.406 -8.432 1.00 0.00 C ATOM 701 CD GLN A 42 -7.779 -3.228 -8.146 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.222 -2.066 -8.357 1.00 0.00 O flip ATOM 703 NE2 GLN A 42 -7.115 -4.151 -7.720 1.00 0.00 N flip ATOM 0 H GLN A 42 -9.590 -0.837 -6.078 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.627 -2.180 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.339 -3.531 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.643 -4.383 -7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.436 -4.316 -9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.639 -2.575 -9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.550 -5.059 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.122 -4.019 -7.527 1.00 0.00 H new ATOM 712 N ALA A 43 -11.647 -1.389 -4.799 1.00 0.00 N ATOM 713 CA ALA A 43 -12.405 -1.481 -3.516 1.00 0.00 C ATOM 714 C ALA A 43 -13.906 -1.345 -3.792 1.00 0.00 C ATOM 715 O ALA A 43 -14.359 -0.365 -4.348 1.00 0.00 O ATOM 716 CB ALA A 43 -11.955 -0.362 -2.576 1.00 0.00 C ATOM 0 H ALA A 43 -11.091 -0.543 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.210 -2.447 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.508 -0.429 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.888 -0.462 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.147 0.604 -3.042 1.00 0.00 H new ATOM 722 N GLU A 44 -14.679 -2.326 -3.405 1.00 0.00 N ATOM 723 CA GLU A 44 -16.150 -2.258 -3.641 1.00 0.00 C ATOM 724 C GLU A 44 -16.756 -1.134 -2.797 1.00 0.00 C ATOM 725 O GLU A 44 -17.669 -0.451 -3.219 1.00 0.00 O ATOM 726 CB GLU A 44 -16.790 -3.592 -3.248 1.00 0.00 C ATOM 727 CG GLU A 44 -16.277 -4.696 -4.174 1.00 0.00 C ATOM 728 CD GLU A 44 -16.969 -6.015 -3.826 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.654 -6.054 -2.818 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.800 -6.965 -4.574 1.00 0.00 O ATOM 0 H GLU A 44 -14.354 -3.171 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.338 -2.059 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.551 -3.831 -2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.876 -3.521 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.473 -4.434 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.197 -4.801 -4.069 1.00 0.00 H new ATOM 737 N GLY A 45 -16.254 -0.934 -1.609 1.00 0.00 N ATOM 738 CA GLY A 45 -16.799 0.147 -0.741 1.00 0.00 C ATOM 739 C GLY A 45 -16.025 1.437 -1.007 1.00 0.00 C ATOM 740 O GLY A 45 -16.542 2.377 -1.578 1.00 0.00 O ATOM 0 H GLY A 45 -15.490 -1.473 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.859 0.295 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.713 -0.134 0.309 1.00 0.00 H new ATOM 744 N TYR A 46 -14.784 1.482 -0.609 1.00 0.00 N ATOM 745 CA TYR A 46 -13.969 2.703 -0.850 1.00 0.00 C ATOM 746 C TYR A 46 -13.920 2.989 -2.352 1.00 0.00 C ATOM 747 O TYR A 46 -14.004 2.090 -3.165 1.00 0.00 O ATOM 748 CB TYR A 46 -12.550 2.481 -0.327 1.00 0.00 C ATOM 749 CG TYR A 46 -11.691 3.657 -0.706 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.617 4.779 0.129 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.969 3.623 -1.901 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.818 5.866 -0.237 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.172 4.709 -2.269 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.094 5.833 -1.437 1.00 0.00 C ATOM 755 OH TYR A 46 -9.308 6.907 -1.799 1.00 0.00 O ATOM 0 H TYR A 46 -14.300 0.725 -0.127 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.417 3.550 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.564 2.360 0.756 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.135 1.563 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.176 4.804 1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.027 2.755 -2.542 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.758 6.732 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.616 4.682 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.874 6.720 -2.658 1.00 0.00 H new ATOM 765 N SER A 47 -13.788 4.234 -2.726 1.00 0.00 N ATOM 766 CA SER A 47 -13.736 4.580 -4.175 1.00 0.00 C ATOM 767 C SER A 47 -12.449 5.353 -4.473 1.00 0.00 C ATOM 768 O SER A 47 -11.902 6.020 -3.618 1.00 0.00 O ATOM 769 CB SER A 47 -14.943 5.446 -4.533 1.00 0.00 C ATOM 770 OG SER A 47 -14.853 6.685 -3.842 1.00 0.00 O ATOM 0 H SER A 47 -13.714 5.027 -2.089 1.00 0.00 H new ATOM 0 HA SER A 47 -13.754 3.665 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.976 5.618 -5.609 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.866 4.933 -4.264 1.00 0.00 H new ATOM 0 HG SER A 47 -15.625 7.244 -4.071 1.00 0.00 H new ATOM 776 N TYR A 48 -11.970 5.269 -5.684 1.00 0.00 N ATOM 777 CA TYR A 48 -10.723 5.999 -6.055 1.00 0.00 C ATOM 778 C TYR A 48 -11.071 7.114 -7.038 1.00 0.00 C ATOM 779 O TYR A 48 -12.102 7.090 -7.678 1.00 0.00 O ATOM 780 CB TYR A 48 -9.738 5.040 -6.725 1.00 0.00 C ATOM 781 CG TYR A 48 -9.383 3.927 -5.771 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.292 2.891 -5.536 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.142 3.932 -5.122 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.960 1.856 -4.653 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.810 2.898 -4.239 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.720 1.860 -4.005 1.00 0.00 C ATOM 787 OH TYR A 48 -8.393 0.840 -3.134 1.00 0.00 O ATOM 0 H TYR A 48 -12.390 4.724 -6.436 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.270 6.416 -5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.178 4.627 -7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.838 5.578 -7.023 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.250 2.889 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.441 4.734 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.661 1.055 -4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.853 2.901 -3.739 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.429 0.857 -2.957 1.00 0.00 H new ATOM 797 N THR A 49 -10.219 8.091 -7.166 1.00 0.00 N ATOM 798 CA THR A 49 -10.509 9.198 -8.115 1.00 0.00 C ATOM 799 C THR A 49 -10.394 8.662 -9.539 1.00 0.00 C ATOM 800 O THR A 49 -9.760 7.656 -9.783 1.00 0.00 O ATOM 801 CB THR A 49 -9.495 10.330 -7.926 1.00 0.00 C ATOM 802 OG1 THR A 49 -8.563 10.303 -8.998 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.750 10.142 -6.604 1.00 0.00 C ATOM 0 H THR A 49 -9.339 8.170 -6.657 1.00 0.00 H new ATOM 0 HA THR A 49 -11.512 9.582 -7.931 1.00 0.00 H new ATOM 0 HB THR A 49 -10.017 11.287 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.363 11.220 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.030 10.950 -6.474 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.463 10.155 -5.780 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.226 9.187 -6.615 1.00 0.00 H new ATOM 811 N ASP A 50 -10.995 9.325 -10.483 1.00 0.00 N ATOM 812 CA ASP A 50 -10.908 8.847 -11.887 1.00 0.00 C ATOM 813 C ASP A 50 -9.436 8.724 -12.285 1.00 0.00 C ATOM 814 O ASP A 50 -9.061 7.867 -13.056 1.00 0.00 O ATOM 815 CB ASP A 50 -11.605 9.847 -12.813 1.00 0.00 C ATOM 816 CG ASP A 50 -13.110 9.836 -12.535 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.557 8.939 -11.839 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.789 10.725 -13.023 1.00 0.00 O ATOM 0 H ASP A 50 -11.541 10.175 -10.344 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.395 7.876 -11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.202 10.847 -12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.415 9.588 -13.855 1.00 0.00 H new ATOM 823 N ALA A 51 -8.602 9.582 -11.768 1.00 0.00 N ATOM 824 CA ALA A 51 -7.156 9.527 -12.125 1.00 0.00 C ATOM 825 C ALA A 51 -6.627 8.094 -11.995 1.00 0.00 C ATOM 826 O ALA A 51 -6.053 7.556 -12.921 1.00 0.00 O ATOM 827 CB ALA A 51 -6.371 10.451 -11.192 1.00 0.00 C ATOM 0 H ALA A 51 -8.859 10.320 -11.113 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.032 9.852 -13.158 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.312 10.414 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.735 11.473 -11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.505 10.126 -10.160 1.00 0.00 H new ATOM 833 N ASN A 52 -6.811 7.466 -10.866 1.00 0.00 N ATOM 834 CA ASN A 52 -6.310 6.067 -10.712 1.00 0.00 C ATOM 835 C ASN A 52 -6.982 5.158 -11.747 1.00 0.00 C ATOM 836 O ASN A 52 -6.352 4.311 -12.348 1.00 0.00 O ATOM 837 CB ASN A 52 -6.628 5.558 -9.304 1.00 0.00 C ATOM 838 CG ASN A 52 -5.928 4.216 -9.079 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.831 4.005 -9.556 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.519 3.293 -8.367 1.00 0.00 N ATOM 0 H ASN A 52 -7.282 7.855 -10.049 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.231 6.055 -10.868 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.297 6.283 -8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.705 5.444 -9.181 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.059 2.396 -8.212 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.440 3.470 -7.966 1.00 0.00 H new ATOM 847 N ILE A 53 -8.262 5.321 -11.945 1.00 0.00 N ATOM 848 CA ILE A 53 -8.992 4.459 -12.926 1.00 0.00 C ATOM 849 C ILE A 53 -8.544 4.756 -14.364 1.00 0.00 C ATOM 850 O ILE A 53 -8.353 3.854 -15.157 1.00 0.00 O ATOM 851 CB ILE A 53 -10.493 4.723 -12.804 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.949 4.417 -11.376 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.251 3.825 -13.784 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.420 4.805 -11.214 1.00 0.00 C ATOM 0 H ILE A 53 -8.838 6.016 -11.469 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.768 3.416 -12.703 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.698 5.768 -13.036 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.816 3.357 -11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.336 4.967 -10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.321 4.013 -13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.926 4.041 -14.802 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.047 2.780 -13.552 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.744 4.587 -10.196 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.539 5.870 -11.412 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.026 4.235 -11.918 1.00 0.00 H new ATOM 866 N LYS A 54 -8.394 6.004 -14.717 1.00 0.00 N ATOM 867 CA LYS A 54 -7.983 6.342 -16.110 1.00 0.00 C ATOM 868 C LYS A 54 -6.644 5.686 -16.447 1.00 0.00 C ATOM 869 O LYS A 54 -6.414 5.273 -17.567 1.00 0.00 O ATOM 870 CB LYS A 54 -7.858 7.859 -16.248 1.00 0.00 C ATOM 871 CG LYS A 54 -9.246 8.496 -16.171 1.00 0.00 C ATOM 872 CD LYS A 54 -9.132 10.002 -16.413 1.00 0.00 C ATOM 873 CE LYS A 54 -10.502 10.656 -16.223 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.821 11.495 -17.413 1.00 0.00 N ATOM 0 H LYS A 54 -8.538 6.804 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.739 5.969 -16.801 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.220 8.255 -15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.383 8.110 -17.196 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.905 8.047 -16.914 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.691 8.307 -15.194 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.410 10.438 -15.722 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.763 10.192 -17.421 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.267 9.891 -16.089 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.502 11.269 -15.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.752 11.940 -17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.097 12.233 -17.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.837 10.898 -18.264 1.00 0.00 H new ATOM 888 N LYS A 55 -5.758 5.589 -15.500 1.00 0.00 N ATOM 889 CA LYS A 55 -4.438 4.961 -15.788 1.00 0.00 C ATOM 890 C LYS A 55 -4.658 3.529 -16.279 1.00 0.00 C ATOM 891 O LYS A 55 -3.940 3.037 -17.128 1.00 0.00 O ATOM 892 CB LYS A 55 -3.581 4.950 -14.517 1.00 0.00 C ATOM 893 CG LYS A 55 -2.177 4.414 -14.831 1.00 0.00 C ATOM 894 CD LYS A 55 -1.311 5.525 -15.439 1.00 0.00 C ATOM 895 CE LYS A 55 0.102 4.991 -15.681 1.00 0.00 C ATOM 896 NZ LYS A 55 1.098 5.960 -15.143 1.00 0.00 N ATOM 0 H LYS A 55 -5.887 5.915 -14.542 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.921 5.534 -16.558 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.511 5.958 -14.108 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.054 4.329 -13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.711 4.037 -13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.246 3.576 -15.524 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.747 5.870 -16.377 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.278 6.384 -14.768 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.224 4.022 -15.197 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.267 4.838 -16.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.967 5.917 -15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.704 6.922 -15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.319 5.719 -14.156 1.00 0.00 H new ATOM 910 N ASN A 56 -5.642 2.854 -15.753 1.00 0.00 N ATOM 911 CA ASN A 56 -5.901 1.454 -16.191 1.00 0.00 C ATOM 912 C ASN A 56 -4.650 0.608 -15.951 1.00 0.00 C ATOM 913 O ASN A 56 -4.183 -0.088 -16.830 1.00 0.00 O ATOM 914 CB ASN A 56 -6.249 1.436 -17.680 1.00 0.00 C ATOM 915 CG ASN A 56 -6.907 0.099 -18.037 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.761 -0.924 -17.238 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -7.558 -0.015 -19.056 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.277 3.211 -15.039 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.735 1.045 -15.621 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.923 2.259 -17.916 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.348 1.580 -18.276 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.672 0.784 -19.680 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.990 -0.909 -19.288 1.00 0.00 H new ATOM 924 N VAL A 57 -4.107 0.667 -14.765 1.00 0.00 N ATOM 925 CA VAL A 57 -2.886 -0.127 -14.456 1.00 0.00 C ATOM 926 C VAL A 57 -3.183 -1.067 -13.289 1.00 0.00 C ATOM 927 O VAL A 57 -3.874 -0.713 -12.355 1.00 0.00 O ATOM 928 CB VAL A 57 -1.745 0.820 -14.072 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.122 1.595 -12.807 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.475 0.008 -13.804 1.00 0.00 C ATOM 0 H VAL A 57 -4.459 1.234 -13.994 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.594 -0.708 -15.331 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.569 1.519 -14.889 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.308 2.268 -12.536 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.026 2.175 -12.992 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.300 0.895 -11.991 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.337 0.682 -13.531 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.656 -0.692 -12.988 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.201 -0.545 -14.702 1.00 0.00 H new ATOM 940 N LEU A 58 -2.665 -2.262 -13.334 1.00 0.00 N ATOM 941 CA LEU A 58 -2.921 -3.217 -12.223 1.00 0.00 C ATOM 942 C LEU A 58 -1.860 -3.023 -11.146 1.00 0.00 C ATOM 943 O LEU A 58 -0.680 -3.145 -11.396 1.00 0.00 O ATOM 944 CB LEU A 58 -2.853 -4.650 -12.751 1.00 0.00 C ATOM 945 CG LEU A 58 -1.693 -4.788 -13.736 1.00 0.00 C ATOM 946 CD1 LEU A 58 -1.175 -6.225 -13.705 1.00 0.00 C ATOM 947 CD2 LEU A 58 -2.177 -4.455 -15.150 1.00 0.00 C ATOM 0 H LEU A 58 -2.078 -2.617 -14.089 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.911 -3.035 -11.805 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.722 -5.346 -11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.791 -4.911 -13.242 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.894 -4.101 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.347 -6.329 -14.406 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.831 -6.466 -12.699 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.977 -6.907 -13.987 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.348 -4.554 -15.851 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.975 -5.141 -15.432 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.553 -3.432 -15.175 1.00 0.00 H new ATOM 959 N TRP A 59 -2.267 -2.721 -9.948 1.00 0.00 N ATOM 960 CA TRP A 59 -1.272 -2.519 -8.863 1.00 0.00 C ATOM 961 C TRP A 59 -0.532 -3.829 -8.597 1.00 0.00 C ATOM 962 O TRP A 59 -1.129 -4.879 -8.461 1.00 0.00 O ATOM 963 CB TRP A 59 -1.993 -2.068 -7.594 1.00 0.00 C ATOM 964 CG TRP A 59 -2.295 -0.610 -7.685 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.524 -0.082 -7.849 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.372 0.510 -7.615 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.419 1.301 -7.893 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.108 1.711 -7.750 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.020 0.597 -7.452 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.481 2.955 -7.721 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.653 1.846 -7.421 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.095 3.023 -7.556 1.00 0.00 C ATOM 0 H TRP A 59 -3.243 -2.606 -9.673 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.554 -1.756 -9.163 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.916 -2.634 -7.467 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.373 -2.268 -6.720 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.442 -0.644 -7.933 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.209 1.934 -8.015 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.606 -0.304 -7.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.062 3.860 -7.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.724 1.902 -7.292 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.400 3.983 -7.533 1.00 0.00 H new ATOM 983 N ASP A 60 0.767 -3.771 -8.515 1.00 0.00 N ATOM 984 CA ASP A 60 1.557 -5.002 -8.250 1.00 0.00 C ATOM 985 C ASP A 60 2.800 -4.634 -7.444 1.00 0.00 C ATOM 986 O ASP A 60 2.997 -3.494 -7.077 1.00 0.00 O ATOM 987 CB ASP A 60 1.967 -5.662 -9.569 1.00 0.00 C ATOM 988 CG ASP A 60 2.743 -4.663 -10.424 1.00 0.00 C ATOM 989 OD1 ASP A 60 3.043 -3.596 -9.922 1.00 0.00 O ATOM 990 OD2 ASP A 60 3.015 -4.979 -11.571 1.00 0.00 O ATOM 0 H ASP A 60 1.317 -2.919 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 60 0.948 -5.707 -7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.581 -6.541 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.082 -6.005 -10.106 1.00 0.00 H new ATOM 995 N GLU A 61 3.631 -5.590 -7.152 1.00 0.00 N ATOM 996 CA GLU A 61 4.851 -5.288 -6.351 1.00 0.00 C ATOM 997 C GLU A 61 5.735 -4.286 -7.100 1.00 0.00 C ATOM 998 O GLU A 61 6.320 -3.400 -6.509 1.00 0.00 O ATOM 999 CB GLU A 61 5.633 -6.579 -6.108 1.00 0.00 C ATOM 1000 CG GLU A 61 4.791 -7.532 -5.257 1.00 0.00 C ATOM 1001 CD GLU A 61 5.600 -8.795 -4.955 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.661 -8.949 -5.538 1.00 0.00 O ATOM 1003 OE2 GLU A 61 5.144 -9.588 -4.147 1.00 0.00 O ATOM 0 H GLU A 61 3.522 -6.565 -7.431 1.00 0.00 H new ATOM 0 HA GLU A 61 4.554 -4.855 -5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.885 -7.049 -7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.573 -6.358 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.498 -7.044 -4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.873 -7.792 -5.784 1.00 0.00 H new ATOM 1010 N ASN A 62 5.841 -4.417 -8.393 1.00 0.00 N ATOM 1011 CA ASN A 62 6.691 -3.466 -9.167 1.00 0.00 C ATOM 1012 C ASN A 62 6.088 -2.061 -9.107 1.00 0.00 C ATOM 1013 O ASN A 62 6.779 -1.082 -8.904 1.00 0.00 O ATOM 1014 CB ASN A 62 6.767 -3.923 -10.624 1.00 0.00 C ATOM 1015 CG ASN A 62 7.501 -5.263 -10.703 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.184 -5.651 -9.776 1.00 0.00 O ATOM 1017 ND2 ASN A 62 7.387 -5.993 -11.779 1.00 0.00 N ATOM 0 H ASN A 62 5.378 -5.138 -8.947 1.00 0.00 H new ATOM 0 HA ASN A 62 7.691 -3.446 -8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.763 -4.021 -11.038 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.287 -3.176 -11.224 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.871 -6.889 -11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.814 -5.668 -12.558 1.00 0.00 H new ATOM 1024 N ASN A 63 4.801 -1.957 -9.282 1.00 0.00 N ATOM 1025 CA ASN A 63 4.141 -0.622 -9.239 1.00 0.00 C ATOM 1026 C ASN A 63 4.328 -0.006 -7.853 1.00 0.00 C ATOM 1027 O ASN A 63 4.545 1.181 -7.712 1.00 0.00 O ATOM 1028 CB ASN A 63 2.643 -0.781 -9.519 1.00 0.00 C ATOM 1029 CG ASN A 63 2.435 -1.336 -10.929 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.301 -1.224 -11.774 1.00 0.00 O ATOM 1031 ND2 ASN A 63 1.312 -1.938 -11.220 1.00 0.00 N ATOM 0 H ASN A 63 4.174 -2.743 -9.454 1.00 0.00 H new ATOM 0 HA ASN A 63 4.588 0.025 -9.993 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.196 -1.451 -8.785 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.141 0.181 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.163 -2.314 -12.156 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.585 -2.032 -10.511 1.00 0.00 H new ATOM 1038 N MET A 64 4.237 -0.806 -6.827 1.00 0.00 N ATOM 1039 CA MET A 64 4.402 -0.272 -5.448 1.00 0.00 C ATOM 1040 C MET A 64 5.805 0.314 -5.279 1.00 0.00 C ATOM 1041 O MET A 64 5.989 1.315 -4.616 1.00 0.00 O ATOM 1042 CB MET A 64 4.188 -1.401 -4.439 1.00 0.00 C ATOM 1043 CG MET A 64 2.708 -1.792 -4.416 1.00 0.00 C ATOM 1044 SD MET A 64 1.731 -0.406 -3.777 1.00 0.00 S ATOM 1045 CE MET A 64 0.100 -0.983 -4.312 1.00 0.00 C ATOM 0 H MET A 64 4.055 -1.808 -6.885 1.00 0.00 H new ATOM 0 HA MET A 64 3.668 0.515 -5.276 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.799 -2.263 -4.707 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.506 -1.081 -3.447 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.374 -2.055 -5.420 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.563 -2.673 -3.791 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.488 -0.136 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.217 -1.705 -5.120 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.412 -1.456 -3.474 1.00 0.00 H new ATOM 1055 N SER A 65 6.797 -0.293 -5.869 1.00 0.00 N ATOM 1056 CA SER A 65 8.177 0.248 -5.728 1.00 0.00 C ATOM 1057 C SER A 65 8.210 1.681 -6.263 1.00 0.00 C ATOM 1058 O SER A 65 8.784 2.568 -5.664 1.00 0.00 O ATOM 1059 CB SER A 65 9.151 -0.618 -6.527 1.00 0.00 C ATOM 1060 OG SER A 65 9.024 -1.971 -6.112 1.00 0.00 O ATOM 0 H SER A 65 6.713 -1.135 -6.439 1.00 0.00 H new ATOM 0 HA SER A 65 8.468 0.241 -4.678 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.942 -0.531 -7.593 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.173 -0.273 -6.373 1.00 0.00 H new ATOM 0 HG SER A 65 9.646 -2.530 -6.623 1.00 0.00 H new ATOM 1066 N GLU A 66 7.585 1.912 -7.384 1.00 0.00 N ATOM 1067 CA GLU A 66 7.563 3.283 -7.959 1.00 0.00 C ATOM 1068 C GLU A 66 6.682 4.184 -7.092 1.00 0.00 C ATOM 1069 O GLU A 66 6.917 5.369 -6.965 1.00 0.00 O ATOM 1070 CB GLU A 66 6.995 3.223 -9.376 1.00 0.00 C ATOM 1071 CG GLU A 66 7.943 2.426 -10.275 1.00 0.00 C ATOM 1072 CD GLU A 66 7.408 2.422 -11.707 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.290 2.867 -11.902 1.00 0.00 O ATOM 1074 OE2 GLU A 66 8.128 1.975 -12.586 1.00 0.00 O ATOM 0 H GLU A 66 7.087 1.207 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 66 8.575 3.687 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.010 2.756 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.865 4.231 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.940 2.866 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.036 1.404 -9.908 1.00 0.00 H new ATOM 1081 N TYR A 67 5.659 3.629 -6.505 1.00 0.00 N ATOM 1082 CA TYR A 67 4.745 4.440 -5.652 1.00 0.00 C ATOM 1083 C TYR A 67 5.516 5.059 -4.482 1.00 0.00 C ATOM 1084 O TYR A 67 5.370 6.227 -4.183 1.00 0.00 O ATOM 1085 CB TYR A 67 3.631 3.525 -5.125 1.00 0.00 C ATOM 1086 CG TYR A 67 2.759 4.253 -4.125 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.194 5.497 -4.436 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.511 3.667 -2.878 1.00 0.00 C ATOM 1089 CE1 TYR A 67 1.385 6.151 -3.497 1.00 0.00 C ATOM 1090 CE2 TYR A 67 1.703 4.320 -1.943 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.140 5.563 -2.252 1.00 0.00 C ATOM 1092 OH TYR A 67 0.343 6.207 -1.329 1.00 0.00 O ATOM 0 H TYR A 67 5.415 2.641 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 67 4.315 5.250 -6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.021 3.173 -5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.070 2.644 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.382 5.951 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.945 2.708 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.950 7.110 -3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.513 3.865 -0.982 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.150 5.543 -0.803 1.00 0.00 H new ATOM 1102 N LEU A 68 6.335 4.293 -3.816 1.00 0.00 N ATOM 1103 CA LEU A 68 7.109 4.851 -2.672 1.00 0.00 C ATOM 1104 C LEU A 68 8.243 5.740 -3.182 1.00 0.00 C ATOM 1105 O LEU A 68 8.507 6.797 -2.644 1.00 0.00 O ATOM 1106 CB LEU A 68 7.685 3.702 -1.846 1.00 0.00 C ATOM 1107 CG LEU A 68 6.607 3.161 -0.906 1.00 0.00 C ATOM 1108 CD1 LEU A 68 5.337 2.857 -1.702 1.00 0.00 C ATOM 1109 CD2 LEU A 68 7.103 1.879 -0.239 1.00 0.00 C ATOM 0 H LEU A 68 6.502 3.306 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 68 6.446 5.454 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.040 2.909 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.544 4.048 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 68 6.389 3.908 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.570 2.472 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.978 3.770 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.557 2.112 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.333 1.496 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.324 1.133 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.007 2.092 0.332 1.00 0.00 H new ATOM 1121 N THR A 69 8.923 5.320 -4.210 1.00 0.00 N ATOM 1122 CA THR A 69 10.047 6.142 -4.744 1.00 0.00 C ATOM 1123 C THR A 69 9.499 7.382 -5.457 1.00 0.00 C ATOM 1124 O THR A 69 10.011 8.472 -5.302 1.00 0.00 O ATOM 1125 CB THR A 69 10.864 5.308 -5.733 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.066 5.010 -6.871 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.306 4.006 -5.064 1.00 0.00 C ATOM 0 H THR A 69 8.751 4.445 -4.704 1.00 0.00 H new ATOM 0 HA THR A 69 10.682 6.457 -3.916 1.00 0.00 H new ATOM 0 HB THR A 69 11.744 5.871 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.588 4.477 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.888 3.413 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.918 4.235 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.428 3.440 -4.753 1.00 0.00 H new ATOM 1135 N ASN A 70 8.464 7.225 -6.236 1.00 0.00 N ATOM 1136 CA ASN A 70 7.892 8.399 -6.957 1.00 0.00 C ATOM 1137 C ASN A 70 6.363 8.334 -6.918 1.00 0.00 C ATOM 1138 O ASN A 70 5.764 7.352 -7.308 1.00 0.00 O ATOM 1139 CB ASN A 70 8.363 8.384 -8.413 1.00 0.00 C ATOM 1140 CG ASN A 70 9.880 8.577 -8.462 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.480 9.010 -7.498 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.529 8.273 -9.552 1.00 0.00 N ATOM 0 H ASN A 70 7.990 6.338 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 70 8.228 9.316 -6.473 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.091 7.440 -8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.867 9.175 -8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.540 8.399 -9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.025 7.910 -10.361 1.00 0.00 H new ATOM 1149 N HIS A 71 5.726 9.375 -6.456 1.00 0.00 N ATOM 1150 CA HIS A 71 4.239 9.372 -6.400 1.00 0.00 C ATOM 1151 C HIS A 71 3.720 10.809 -6.479 1.00 0.00 C ATOM 1152 O HIS A 71 4.187 11.685 -5.780 1.00 0.00 O ATOM 1153 CB HIS A 71 3.785 8.737 -5.087 1.00 0.00 C ATOM 1154 CG HIS A 71 4.653 9.232 -3.962 1.00 0.00 C ATOM 1155 ND1 HIS A 71 6.010 9.174 -3.756 1.00 0.00 N flip ATOM 1156 CD2 HIS A 71 4.130 9.889 -2.857 1.00 0.00 C flip ATOM 1157 CE1 HIS A 71 6.322 9.784 -2.546 1.00 0.00 C flip ATOM 1158 NE2 HIS A 71 5.157 10.198 -2.045 1.00 0.00 N flip ATOM 0 H HIS A 71 6.172 10.227 -6.115 1.00 0.00 H new ATOM 0 HA HIS A 71 3.844 8.799 -7.239 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.742 8.986 -4.892 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.846 7.651 -5.156 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.088 10.112 -2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.301 9.898 -2.105 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.057 10.688 -1.156 1.00 0.00 H new ATOM 1167 N ALA A 72 2.752 11.055 -7.322 1.00 0.00 N ATOM 1168 CA ALA A 72 2.196 12.434 -7.447 1.00 0.00 C ATOM 1169 C ALA A 72 1.355 12.528 -8.725 1.00 0.00 C ATOM 1170 O ALA A 72 0.251 12.035 -8.783 1.00 0.00 O ATOM 1171 CB ALA A 72 3.339 13.452 -7.503 1.00 0.00 C ATOM 0 H ALA A 72 2.322 10.359 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 72 1.569 12.652 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.927 14.457 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.932 13.384 -6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.973 13.240 -8.364 1.00 0.00 H new ATOM 1177 N LYS A 73 1.866 13.155 -9.750 1.00 0.00 N ATOM 1178 CA LYS A 73 1.084 13.273 -11.015 1.00 0.00 C ATOM 1179 C LYS A 73 0.721 11.876 -11.527 1.00 0.00 C ATOM 1180 O LYS A 73 -0.324 11.666 -12.107 1.00 0.00 O ATOM 1181 CB LYS A 73 1.926 13.998 -12.067 1.00 0.00 C ATOM 1182 CG LYS A 73 1.080 14.240 -13.320 1.00 0.00 C ATOM 1183 CD LYS A 73 1.940 14.906 -14.396 1.00 0.00 C ATOM 1184 CE LYS A 73 1.067 15.273 -15.597 1.00 0.00 C ATOM 1185 NZ LYS A 73 1.334 16.684 -15.994 1.00 0.00 N ATOM 0 H LYS A 73 2.789 13.590 -9.767 1.00 0.00 H new ATOM 0 HA LYS A 73 0.171 13.837 -10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.286 14.947 -11.669 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.805 13.404 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.682 13.296 -13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.226 14.873 -13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.416 15.800 -13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.738 14.232 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.278 14.604 -16.431 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.014 15.148 -15.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.740 16.933 -16.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.112 17.316 -15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.337 16.789 -16.250 1.00 0.00 H new ATOM 1199 N TYR A 74 1.585 10.923 -11.317 1.00 0.00 N ATOM 1200 CA TYR A 74 1.309 9.536 -11.789 1.00 0.00 C ATOM 1201 C TYR A 74 -0.044 9.049 -11.256 1.00 0.00 C ATOM 1202 O TYR A 74 -0.827 8.461 -11.976 1.00 0.00 O ATOM 1203 CB TYR A 74 2.423 8.620 -11.282 1.00 0.00 C ATOM 1204 CG TYR A 74 1.931 7.198 -11.221 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.230 6.645 -12.297 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.182 6.429 -10.080 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.779 5.321 -12.231 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.733 5.107 -10.012 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.031 4.551 -11.089 1.00 0.00 C ATOM 1210 OH TYR A 74 0.587 3.246 -11.024 1.00 0.00 O ATOM 0 H TYR A 74 2.476 11.045 -10.836 1.00 0.00 H new ATOM 0 HA TYR A 74 1.274 9.521 -12.878 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.288 8.686 -11.941 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.750 8.943 -10.294 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.037 7.239 -13.178 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.724 6.857 -9.250 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.237 4.894 -13.061 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.927 4.515 -9.130 1.00 0.00 H new ATOM 0 HH TYR A 74 0.353 3.026 -10.098 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.322 9.289 -10.004 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.624 8.841 -9.420 1.00 0.00 C ATOM 1222 C ILE A 75 -2.387 10.064 -8.904 1.00 0.00 C ATOM 1223 O ILE A 75 -1.818 11.117 -8.713 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.341 7.886 -8.258 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.076 8.139 -7.740 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.455 6.433 -8.737 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.301 7.342 -6.456 1.00 0.00 C ATOM 0 H ILE A 75 0.296 9.777 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.221 8.332 -10.177 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.066 8.057 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.807 7.848 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.220 9.203 -7.550 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.252 5.759 -7.905 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.462 6.252 -9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.732 6.255 -9.533 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.311 7.523 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.422 7.655 -5.702 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.174 6.279 -6.661 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.666 9.934 -8.672 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.501 11.049 -8.166 1.00 0.00 C ATOM 1241 C PRO A 76 -3.747 11.914 -7.152 1.00 0.00 C ATOM 1242 O PRO A 76 -2.848 11.454 -6.475 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.691 10.346 -7.495 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.575 8.881 -7.819 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.469 8.727 -8.864 1.00 0.00 C ATOM 0 HA PRO A 76 -4.798 11.729 -8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.675 10.505 -6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.635 10.749 -7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.338 8.308 -6.923 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.520 8.497 -8.202 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.883 7.822 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.874 8.668 -9.874 1.00 0.00 H new ATOM 1253 N GLY A 77 -4.106 13.165 -7.041 1.00 0.00 N ATOM 1254 CA GLY A 77 -3.410 14.060 -6.072 1.00 0.00 C ATOM 1255 C GLY A 77 -3.654 13.565 -4.645 1.00 0.00 C ATOM 1256 O GLY A 77 -3.361 14.246 -3.683 1.00 0.00 O ATOM 0 H GLY A 77 -4.851 13.606 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.341 14.079 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.774 15.082 -6.180 1.00 0.00 H new ATOM 1260 N THR A 78 -4.192 12.385 -4.502 1.00 0.00 N ATOM 1261 CA THR A 78 -4.460 11.844 -3.141 1.00 0.00 C ATOM 1262 C THR A 78 -3.283 12.156 -2.214 1.00 0.00 C ATOM 1263 O THR A 78 -2.158 11.776 -2.473 1.00 0.00 O ATOM 1264 CB THR A 78 -4.635 10.327 -3.229 1.00 0.00 C ATOM 1265 OG1 THR A 78 -5.176 9.842 -2.007 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.275 9.670 -3.486 1.00 0.00 C ATOM 0 H THR A 78 -4.458 11.771 -5.272 1.00 0.00 H new ATOM 0 HA THR A 78 -5.365 12.304 -2.744 1.00 0.00 H new ATOM 0 HB THR A 78 -5.314 10.085 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.290 8.870 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.399 8.589 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.862 10.043 -4.423 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.595 9.910 -2.669 1.00 0.00 H new ATOM 1274 N LYS A 79 -3.535 12.832 -1.128 1.00 0.00 N ATOM 1275 CA LYS A 79 -2.433 13.151 -0.178 1.00 0.00 C ATOM 1276 C LYS A 79 -2.361 12.046 0.876 1.00 0.00 C ATOM 1277 O LYS A 79 -3.340 11.739 1.528 1.00 0.00 O ATOM 1278 CB LYS A 79 -2.714 14.492 0.502 1.00 0.00 C ATOM 1279 CG LYS A 79 -1.484 14.926 1.302 1.00 0.00 C ATOM 1280 CD LYS A 79 -1.786 16.237 2.032 1.00 0.00 C ATOM 1281 CE LYS A 79 -0.510 16.757 2.697 1.00 0.00 C ATOM 1282 NZ LYS A 79 0.422 17.268 1.651 1.00 0.00 N ATOM 0 H LYS A 79 -4.456 13.177 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.486 13.216 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.960 15.246 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.577 14.404 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.212 14.152 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.631 15.056 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.170 16.977 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.561 16.078 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.753 17.551 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.033 15.959 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.113 17.912 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.922 16.469 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.118 17.780 0.924 1.00 0.00 H new ATOM 1296 N MET A 80 -1.215 11.440 1.045 1.00 0.00 N ATOM 1297 CA MET A 80 -1.090 10.347 2.052 1.00 0.00 C ATOM 1298 C MET A 80 -0.181 10.801 3.197 1.00 0.00 C ATOM 1299 O MET A 80 0.880 11.353 2.984 1.00 0.00 O ATOM 1300 CB MET A 80 -0.499 9.106 1.376 1.00 0.00 C ATOM 1301 CG MET A 80 -0.580 7.910 2.326 1.00 0.00 C ATOM 1302 SD MET A 80 -0.672 6.379 1.362 1.00 0.00 S ATOM 1303 CE MET A 80 1.097 5.998 1.357 1.00 0.00 C ATOM 0 H MET A 80 -0.361 11.655 0.529 1.00 0.00 H new ATOM 0 HA MET A 80 -2.073 10.106 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.042 8.889 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.538 9.292 1.098 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.293 7.890 2.978 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.456 8.001 2.969 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.265 5.056 0.836 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.639 6.795 0.849 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.454 5.913 2.383 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.598 10.576 4.415 1.00 0.00 N ATOM 1314 CA ALA A 81 0.228 10.997 5.583 1.00 0.00 C ATOM 1315 C ALA A 81 1.543 10.212 5.609 1.00 0.00 C ATOM 1316 O ALA A 81 2.560 10.708 6.053 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.547 10.729 6.874 1.00 0.00 C ATOM 0 H ALA A 81 -1.478 10.117 4.651 1.00 0.00 H new ATOM 0 HA ALA A 81 0.450 12.061 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.054 11.036 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.478 11.295 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.770 9.665 6.950 1.00 0.00 H new ATOM 1323 N PHE A 82 1.534 8.991 5.148 1.00 0.00 N ATOM 1324 CA PHE A 82 2.790 8.186 5.161 1.00 0.00 C ATOM 1325 C PHE A 82 3.461 8.267 3.789 1.00 0.00 C ATOM 1326 O PHE A 82 2.854 7.990 2.774 1.00 0.00 O ATOM 1327 CB PHE A 82 2.456 6.727 5.479 1.00 0.00 C ATOM 1328 CG PHE A 82 3.732 5.941 5.684 1.00 0.00 C ATOM 1329 CD1 PHE A 82 4.414 5.410 4.581 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.234 5.741 6.977 1.00 0.00 C ATOM 1331 CE1 PHE A 82 5.593 4.682 4.772 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.416 5.012 7.167 1.00 0.00 C ATOM 1333 CZ PHE A 82 6.093 4.484 6.063 1.00 0.00 C ATOM 0 H PHE A 82 0.716 8.517 4.765 1.00 0.00 H new ATOM 0 HA PHE A 82 3.466 8.579 5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.837 6.673 6.375 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.877 6.291 4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.029 5.563 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.709 6.149 7.828 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.118 4.272 3.922 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.803 4.858 8.164 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.004 3.922 6.208 1.00 0.00 H new ATOM 1343 N GLY A 83 4.713 8.635 3.757 1.00 0.00 N ATOM 1344 CA GLY A 83 5.438 8.730 2.456 1.00 0.00 C ATOM 1345 C GLY A 83 6.536 7.668 2.421 1.00 0.00 C ATOM 1346 O GLY A 83 6.857 7.121 1.385 1.00 0.00 O ATOM 0 H GLY A 83 5.268 8.875 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.745 8.583 1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.871 9.723 2.338 1.00 0.00 H new ATOM 1350 N GLY A 84 7.114 7.374 3.553 1.00 0.00 N ATOM 1351 CA GLY A 84 8.192 6.347 3.600 1.00 0.00 C ATOM 1352 C GLY A 84 8.516 6.026 5.060 1.00 0.00 C ATOM 1353 O GLY A 84 7.981 6.629 5.968 1.00 0.00 O ATOM 0 H GLY A 84 6.885 7.802 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.874 5.444 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.083 6.713 3.089 1.00 0.00 H new ATOM 1357 N LEU A 85 9.389 5.082 5.293 1.00 0.00 N ATOM 1358 CA LEU A 85 9.750 4.722 6.695 1.00 0.00 C ATOM 1359 C LEU A 85 11.216 5.075 6.946 1.00 0.00 C ATOM 1360 O LEU A 85 12.046 4.973 6.064 1.00 0.00 O ATOM 1361 CB LEU A 85 9.545 3.221 6.910 1.00 0.00 C ATOM 1362 CG LEU A 85 8.808 2.989 8.231 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.603 1.493 8.451 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.632 3.566 9.378 1.00 0.00 C ATOM 0 H LEU A 85 9.868 4.544 4.571 1.00 0.00 H new ATOM 0 HA LEU A 85 9.115 5.276 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.973 2.800 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.508 2.710 6.924 1.00 0.00 H new ATOM 0 HG LEU A 85 7.837 3.482 8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.078 1.332 9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.013 1.082 7.632 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.572 0.994 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.109 3.402 10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 85 10.604 3.073 9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.773 4.636 9.223 1.00 0.00 H new ATOM 1376 N LYS A 86 11.548 5.489 8.139 1.00 0.00 N ATOM 1377 CA LYS A 86 12.964 5.843 8.432 1.00 0.00 C ATOM 1378 C LYS A 86 13.860 4.651 8.094 1.00 0.00 C ATOM 1379 O LYS A 86 14.964 4.810 7.609 1.00 0.00 O ATOM 1380 CB LYS A 86 13.109 6.185 9.917 1.00 0.00 C ATOM 1381 CG LYS A 86 12.291 7.439 10.235 1.00 0.00 C ATOM 1382 CD LYS A 86 12.530 7.849 11.689 1.00 0.00 C ATOM 1383 CE LYS A 86 11.620 9.027 12.044 1.00 0.00 C ATOM 1384 NZ LYS A 86 10.519 8.555 12.929 1.00 0.00 N ATOM 0 H LYS A 86 10.901 5.597 8.920 1.00 0.00 H new ATOM 0 HA LYS A 86 13.258 6.705 7.833 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.767 5.350 10.528 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.158 6.351 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.575 8.251 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.231 7.246 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.329 7.008 12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.574 8.126 11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.195 9.806 12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.208 9.468 11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.900 9.355 13.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.965 7.826 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.922 8.154 13.800 1.00 0.00 H new ATOM 1398 N LYS A 87 13.392 3.455 8.336 1.00 0.00 N ATOM 1399 CA LYS A 87 14.216 2.255 8.017 1.00 0.00 C ATOM 1400 C LYS A 87 13.698 1.622 6.724 1.00 0.00 C ATOM 1401 O LYS A 87 12.580 1.150 6.656 1.00 0.00 O ATOM 1402 CB LYS A 87 14.112 1.245 9.161 1.00 0.00 C ATOM 1403 CG LYS A 87 14.726 1.848 10.427 1.00 0.00 C ATOM 1404 CD LYS A 87 14.727 0.802 11.544 1.00 0.00 C ATOM 1405 CE LYS A 87 15.238 1.438 12.839 1.00 0.00 C ATOM 1406 NZ LYS A 87 14.173 2.304 13.421 1.00 0.00 N ATOM 0 H LYS A 87 12.476 3.259 8.740 1.00 0.00 H new ATOM 0 HA LYS A 87 15.258 2.547 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.068 0.985 9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.630 0.323 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.744 2.182 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.158 2.725 10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.720 0.411 11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.359 -0.041 11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.520 0.662 13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.132 2.028 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.427 2.559 14.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.079 3.169 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.269 1.790 13.422 1.00 0.00 H new ATOM 1420 N GLU A 88 14.500 1.615 5.695 1.00 0.00 N ATOM 1421 CA GLU A 88 14.054 1.023 4.402 1.00 0.00 C ATOM 1422 C GLU A 88 13.860 -0.488 4.555 1.00 0.00 C ATOM 1423 O GLU A 88 12.963 -1.066 3.974 1.00 0.00 O ATOM 1424 CB GLU A 88 15.112 1.292 3.330 1.00 0.00 C ATOM 1425 CG GLU A 88 15.213 2.797 3.078 1.00 0.00 C ATOM 1426 CD GLU A 88 16.223 3.062 1.959 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.898 2.126 1.565 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.302 4.196 1.517 1.00 0.00 O ATOM 0 H GLU A 88 15.447 1.994 5.694 1.00 0.00 H new ATOM 0 HA GLU A 88 13.107 1.477 4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.077 0.901 3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.849 0.775 2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.237 3.196 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.522 3.309 3.989 1.00 0.00 H new ATOM 1435 N LYS A 89 14.694 -1.135 5.324 1.00 0.00 N ATOM 1436 CA LYS A 89 14.548 -2.609 5.495 1.00 0.00 C ATOM 1437 C LYS A 89 13.173 -2.923 6.086 1.00 0.00 C ATOM 1438 O LYS A 89 12.466 -3.791 5.612 1.00 0.00 O ATOM 1439 CB LYS A 89 15.637 -3.122 6.439 1.00 0.00 C ATOM 1440 CG LYS A 89 15.577 -4.649 6.506 1.00 0.00 C ATOM 1441 CD LYS A 89 16.624 -5.160 7.497 1.00 0.00 C ATOM 1442 CE LYS A 89 16.673 -6.687 7.447 1.00 0.00 C ATOM 1443 NZ LYS A 89 16.748 -7.228 8.834 1.00 0.00 N ATOM 0 H LYS A 89 15.465 -0.710 5.838 1.00 0.00 H new ATOM 0 HA LYS A 89 14.645 -3.098 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.618 -2.801 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.500 -2.698 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.582 -4.971 6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.758 -5.074 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.603 -4.746 7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.379 -4.826 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.788 -7.073 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.538 -7.015 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.781 -8.267 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.605 -6.869 9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.910 -6.926 9.370 1.00 0.00 H new ATOM 1457 N ASP A 90 12.787 -2.219 7.111 1.00 0.00 N ATOM 1458 CA ASP A 90 11.458 -2.470 7.728 1.00 0.00 C ATOM 1459 C ASP A 90 10.357 -2.147 6.716 1.00 0.00 C ATOM 1460 O ASP A 90 9.364 -2.840 6.618 1.00 0.00 O ATOM 1461 CB ASP A 90 11.300 -1.582 8.961 1.00 0.00 C ATOM 1462 CG ASP A 90 12.274 -2.039 10.048 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.863 -3.095 9.882 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.412 -1.328 11.029 1.00 0.00 O ATOM 0 H ASP A 90 13.336 -1.479 7.549 1.00 0.00 H new ATOM 0 HA ASP A 90 11.381 -3.517 8.021 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.492 -0.541 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.276 -1.634 9.331 1.00 0.00 H new ATOM 1469 N ARG A 91 10.526 -1.094 5.965 1.00 0.00 N ATOM 1470 CA ARG A 91 9.492 -0.718 4.961 1.00 0.00 C ATOM 1471 C ARG A 91 9.294 -1.868 3.972 1.00 0.00 C ATOM 1472 O ARG A 91 8.188 -2.171 3.570 1.00 0.00 O ATOM 1473 CB ARG A 91 9.947 0.531 4.205 1.00 0.00 C ATOM 1474 CG ARG A 91 8.818 1.020 3.296 1.00 0.00 C ATOM 1475 CD ARG A 91 9.246 2.316 2.604 1.00 0.00 C ATOM 1476 NE ARG A 91 10.315 2.019 1.610 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.076 2.980 1.162 1.00 0.00 C ATOM 1478 NH1 ARG A 91 10.900 4.201 1.585 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.012 2.719 0.291 1.00 0.00 N ATOM 0 H ARG A 91 11.337 -0.477 6.004 1.00 0.00 H new ATOM 0 HA ARG A 91 8.551 -0.513 5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.225 1.314 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.834 0.307 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.580 0.259 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.913 1.189 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.391 2.775 2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.609 3.032 3.342 1.00 0.00 H new ATOM 0 HE ARG A 91 10.452 1.064 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.168 4.404 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.494 4.953 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.149 1.764 -0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.607 3.470 -0.059 1.00 0.00 H new ATOM 1493 N ASN A 92 10.357 -2.507 3.573 1.00 0.00 N ATOM 1494 CA ASN A 92 10.234 -3.632 2.608 1.00 0.00 C ATOM 1495 C ASN A 92 9.337 -4.721 3.197 1.00 0.00 C ATOM 1496 O ASN A 92 8.529 -5.312 2.509 1.00 0.00 O ATOM 1497 CB ASN A 92 11.622 -4.207 2.329 1.00 0.00 C ATOM 1498 CG ASN A 92 12.480 -3.154 1.625 1.00 0.00 C ATOM 1499 OD1 ASN A 92 11.965 -2.192 1.091 1.00 0.00 O ATOM 1500 ND2 ASN A 92 13.776 -3.297 1.600 1.00 0.00 N ATOM 0 H ASN A 92 11.308 -2.297 3.875 1.00 0.00 H new ATOM 0 HA ASN A 92 9.793 -3.270 1.679 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.095 -4.512 3.262 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.539 -5.099 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 92 14.357 -2.601 1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.209 -4.105 2.048 1.00 0.00 H new ATOM 1507 N ASP A 93 9.470 -4.991 4.465 1.00 0.00 N ATOM 1508 CA ASP A 93 8.625 -6.039 5.094 1.00 0.00 C ATOM 1509 C ASP A 93 7.150 -5.668 4.940 1.00 0.00 C ATOM 1510 O ASP A 93 6.304 -6.514 4.726 1.00 0.00 O ATOM 1511 CB ASP A 93 8.977 -6.146 6.578 1.00 0.00 C ATOM 1512 CG ASP A 93 10.396 -6.696 6.729 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.934 -7.168 5.742 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.919 -6.634 7.829 1.00 0.00 O ATOM 0 H ASP A 93 10.129 -4.530 5.092 1.00 0.00 H new ATOM 0 HA ASP A 93 8.806 -6.997 4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.903 -5.167 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.267 -6.799 7.085 1.00 0.00 H new ATOM 1519 N LEU A 94 6.835 -4.409 5.051 1.00 0.00 N ATOM 1520 CA LEU A 94 5.419 -3.975 4.917 1.00 0.00 C ATOM 1521 C LEU A 94 4.887 -4.338 3.530 1.00 0.00 C ATOM 1522 O LEU A 94 3.766 -4.781 3.383 1.00 0.00 O ATOM 1523 CB LEU A 94 5.345 -2.460 5.097 1.00 0.00 C ATOM 1524 CG LEU A 94 5.811 -2.080 6.505 1.00 0.00 C ATOM 1525 CD1 LEU A 94 5.735 -0.562 6.674 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.905 -2.748 7.542 1.00 0.00 C ATOM 0 H LEU A 94 7.502 -3.658 5.230 1.00 0.00 H new ATOM 0 HA LEU A 94 4.817 -4.476 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.969 -1.966 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.323 -2.115 4.937 1.00 0.00 H new ATOM 0 HG LEU A 94 6.839 -2.414 6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.067 -0.290 7.676 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.378 -0.081 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.707 -0.231 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.237 -2.477 8.544 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.878 -2.413 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.954 -3.831 7.424 1.00 0.00 H new ATOM 1538 N ILE A 95 5.677 -4.147 2.512 1.00 0.00 N ATOM 1539 CA ILE A 95 5.216 -4.469 1.139 1.00 0.00 C ATOM 1540 C ILE A 95 4.777 -5.931 1.073 1.00 0.00 C ATOM 1541 O ILE A 95 3.730 -6.253 0.549 1.00 0.00 O ATOM 1542 CB ILE A 95 6.368 -4.237 0.162 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.945 -2.831 0.362 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.851 -4.369 -1.266 1.00 0.00 C ATOM 1545 CD1 ILE A 95 5.811 -1.804 0.396 1.00 0.00 C ATOM 0 H ILE A 95 6.627 -3.780 2.575 1.00 0.00 H new ATOM 0 HA ILE A 95 4.373 -3.831 0.875 1.00 0.00 H new ATOM 0 HB ILE A 95 7.148 -4.976 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.513 -2.790 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.638 -2.594 -0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.670 -4.204 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.443 -5.369 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.070 -3.629 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.227 -0.807 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.262 -1.837 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.135 -2.036 1.219 1.00 0.00 H new ATOM 1557 N THR A 96 5.569 -6.818 1.603 1.00 0.00 N ATOM 1558 CA THR A 96 5.194 -8.259 1.574 1.00 0.00 C ATOM 1559 C THR A 96 3.859 -8.452 2.298 1.00 0.00 C ATOM 1560 O THR A 96 3.014 -9.214 1.874 1.00 0.00 O ATOM 1561 CB THR A 96 6.278 -9.080 2.276 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.546 -8.751 1.728 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.006 -10.571 2.071 1.00 0.00 C ATOM 0 H THR A 96 6.459 -6.609 2.055 1.00 0.00 H new ATOM 0 HA THR A 96 5.098 -8.591 0.540 1.00 0.00 H new ATOM 0 HB THR A 96 6.271 -8.855 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.237 -8.859 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.779 -11.154 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.032 -10.824 2.490 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.013 -10.799 1.005 1.00 0.00 H new ATOM 1571 N TYR A 97 3.667 -7.765 3.392 1.00 0.00 N ATOM 1572 CA TYR A 97 2.392 -7.907 4.150 1.00 0.00 C ATOM 1573 C TYR A 97 1.207 -7.499 3.268 1.00 0.00 C ATOM 1574 O TYR A 97 0.165 -8.123 3.292 1.00 0.00 O ATOM 1575 CB TYR A 97 2.436 -7.021 5.396 1.00 0.00 C ATOM 1576 CG TYR A 97 1.154 -7.186 6.175 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.022 -8.236 7.091 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.096 -6.291 5.978 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.168 -8.389 7.812 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -1.094 -6.445 6.698 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.227 -7.494 7.615 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.401 -7.645 8.325 1.00 0.00 O ATOM 0 H TYR A 97 4.339 -7.111 3.793 1.00 0.00 H new ATOM 0 HA TYR A 97 2.269 -8.948 4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.289 -7.291 6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.568 -5.978 5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.838 -8.928 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.198 -5.482 5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.270 -9.198 8.521 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.910 -5.754 6.546 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.031 -6.939 8.069 1.00 0.00 H new ATOM 1592 N LEU A 98 1.350 -6.456 2.494 1.00 0.00 N ATOM 1593 CA LEU A 98 0.221 -6.022 1.625 1.00 0.00 C ATOM 1594 C LEU A 98 -0.182 -7.170 0.702 1.00 0.00 C ATOM 1595 O LEU A 98 -1.351 -7.401 0.457 1.00 0.00 O ATOM 1596 CB LEU A 98 0.655 -4.820 0.785 1.00 0.00 C ATOM 1597 CG LEU A 98 1.075 -3.671 1.703 1.00 0.00 C ATOM 1598 CD1 LEU A 98 1.409 -2.441 0.859 1.00 0.00 C ATOM 1599 CD2 LEU A 98 -0.074 -3.331 2.655 1.00 0.00 C ATOM 0 H LEU A 98 2.196 -5.889 2.427 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.628 -5.741 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.484 -5.100 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.163 -4.501 0.139 1.00 0.00 H new ATOM 0 HG LEU A 98 1.951 -3.970 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.708 -1.622 1.513 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.226 -2.678 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.531 -2.145 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.226 -2.512 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.949 -3.033 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.318 -4.206 3.258 1.00 0.00 H new ATOM 1611 N LYS A 99 0.769 -7.902 0.199 1.00 0.00 N ATOM 1612 CA LYS A 99 0.423 -9.040 -0.691 1.00 0.00 C ATOM 1613 C LYS A 99 -0.491 -9.991 0.079 1.00 0.00 C ATOM 1614 O LYS A 99 -1.434 -10.537 -0.455 1.00 0.00 O ATOM 1615 CB LYS A 99 1.699 -9.775 -1.108 1.00 0.00 C ATOM 1616 CG LYS A 99 1.351 -10.864 -2.125 1.00 0.00 C ATOM 1617 CD LYS A 99 2.637 -11.523 -2.635 1.00 0.00 C ATOM 1618 CE LYS A 99 3.337 -12.266 -1.491 1.00 0.00 C ATOM 1619 NZ LYS A 99 2.324 -12.965 -0.650 1.00 0.00 N ATOM 0 H LYS A 99 1.766 -7.763 0.365 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.082 -8.677 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.411 -9.072 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.178 -10.218 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.705 -11.612 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.796 -10.433 -2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.404 -12.218 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.303 -10.766 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.048 -12.987 -1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.906 -11.563 -0.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.784 -13.730 -0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.898 -12.288 0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.583 -13.365 -1.260 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.216 -10.183 1.340 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.065 -11.087 2.161 1.00 0.00 C ATOM 1635 C LYS A 100 -2.492 -10.538 2.231 1.00 0.00 C ATOM 1636 O LYS A 100 -3.448 -11.285 2.278 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.485 -11.189 3.574 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.275 -12.228 4.374 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.628 -12.416 5.747 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.792 -11.138 6.572 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.658 -11.463 8.020 1.00 0.00 N ATOM 0 H LYS A 100 0.563 -9.751 1.837 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.084 -12.076 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.567 -11.472 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.533 -10.219 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.309 -11.904 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.296 -13.176 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.089 -13.257 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.430 -12.653 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.039 -10.405 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.766 -10.689 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.334 -10.893 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.856 -12.473 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.310 -11.250 8.335 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.647 -9.240 2.251 1.00 0.00 N ATOM 1656 CA ALA A 101 -4.017 -8.662 2.331 1.00 0.00 C ATOM 1657 C ALA A 101 -4.835 -9.106 1.117 1.00 0.00 C ATOM 1658 O ALA A 101 -6.015 -9.377 1.219 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.932 -7.134 2.363 1.00 0.00 C ATOM 0 H ALA A 101 -1.888 -8.560 2.216 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.502 -9.014 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.936 -6.715 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.356 -6.820 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.442 -6.778 1.457 1.00 0.00 H new ATOM 1665 N THR A 102 -4.222 -9.187 -0.033 1.00 0.00 N ATOM 1666 CA THR A 102 -4.979 -9.617 -1.243 1.00 0.00 C ATOM 1667 C THR A 102 -5.311 -11.107 -1.135 1.00 0.00 C ATOM 1668 O THR A 102 -6.315 -11.567 -1.642 1.00 0.00 O ATOM 1669 CB THR A 102 -4.141 -9.355 -2.500 1.00 0.00 C ATOM 1670 OG1 THR A 102 -4.995 -8.917 -3.547 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.420 -10.635 -2.933 1.00 0.00 C ATOM 0 H THR A 102 -3.236 -8.975 -0.186 1.00 0.00 H new ATOM 0 HA THR A 102 -5.906 -9.048 -1.312 1.00 0.00 H new ATOM 0 HB THR A 102 -3.398 -8.589 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.818 -9.442 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.829 -10.435 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.763 -10.972 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.154 -11.411 -3.150 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.474 -11.866 -0.483 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.742 -13.326 -0.346 1.00 0.00 C ATOM 1681 C GLU A 103 -4.987 -13.932 -1.729 1.00 0.00 C ATOM 1682 O GLU A 103 -4.365 -13.553 -2.702 1.00 0.00 O ATOM 1683 CB GLU A 103 -5.979 -13.539 0.529 1.00 0.00 C ATOM 1684 CG GLU A 103 -6.173 -15.035 0.785 1.00 0.00 C ATOM 1685 CD GLU A 103 -7.464 -15.256 1.574 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -8.138 -14.278 1.856 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -7.758 -16.399 1.883 1.00 0.00 O ATOM 0 H GLU A 103 -3.616 -11.539 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.882 -13.810 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.864 -13.010 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.860 -13.126 0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.216 -15.574 -0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.323 -15.433 1.340 1.00 0.00 H new