USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 684 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 100 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 127 CYS SG : rot 150:sc= 1.09 USER MOD Set 2.1: A 98 THR OG1 : rot 116:sc= 0.761 USER MOD Set 2.2: A 125 THR OG1 : rot 130:sc= 0.653 USER MOD Set 3.1: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 119 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00138) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.101 K(o=0.1,f=-1.1) USER MOD Single : A 52 THR OG1 : rot -112:sc= 1.33 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -112:sc= -0.0618 (180deg=-0.421) USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 0.106 (180deg=0.106) USER MOD Single : A 82 ASN : amide:sc= -0.375 K(o=-0.37,f=-4.1!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -140:sc= 0 USER MOD Single : A 91 TYR OH : rot -174:sc= 0.724 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 124 MET CE :methyl -176:sc= -0.844 (180deg=-0.924) USER MOD Single : A 126 LYS NZ :NH3+ -172:sc= 0.588 (180deg=0.524) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -28.308 16.173 7.517 1.00 0.00 N ATOM 2 CA MET A 43 -26.980 16.839 7.505 1.00 0.00 C ATOM 3 C MET A 43 -26.398 16.876 8.927 1.00 0.00 C ATOM 4 O MET A 43 -27.142 17.051 9.899 1.00 0.00 O ATOM 5 CB MET A 43 -27.074 18.274 6.894 1.00 0.00 C ATOM 6 CG MET A 43 -27.997 19.254 7.648 1.00 0.00 C ATOM 7 SD MET A 43 -29.719 18.700 7.676 1.00 0.00 S ATOM 8 CE MET A 43 -30.501 19.978 8.664 1.00 0.00 C ATOM 0 HA MET A 43 -26.307 16.261 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 43 -26.072 18.701 6.856 1.00 0.00 H new ATOM 0 HB3 MET A 43 -27.424 18.190 5.865 1.00 0.00 H new ATOM 0 HG2 MET A 43 -27.639 19.371 8.671 1.00 0.00 H new ATOM 0 HG3 MET A 43 -27.942 20.235 7.177 1.00 0.00 H new ATOM 0 HE1 MET A 43 -31.565 19.762 8.762 1.00 0.00 H new ATOM 0 HE2 MET A 43 -30.044 20.004 9.653 1.00 0.00 H new ATOM 0 HE3 MET A 43 -30.370 20.945 8.178 1.00 0.00 H new ATOM 20 N ALA A 44 -25.069 16.699 9.040 1.00 0.00 N ATOM 21 CA ALA A 44 -24.356 16.650 10.332 1.00 0.00 C ATOM 22 C ALA A 44 -22.872 16.996 10.129 1.00 0.00 C ATOM 23 O ALA A 44 -22.403 17.119 8.982 1.00 0.00 O ATOM 24 CB ALA A 44 -24.514 15.258 10.988 1.00 0.00 C ATOM 0 H ALA A 44 -24.455 16.585 8.233 1.00 0.00 H new ATOM 0 HA ALA A 44 -24.794 17.389 11.003 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -23.982 15.241 11.939 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -25.571 15.055 11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -24.101 14.496 10.328 1.00 0.00 H new ATOM 30 N THR A 45 -22.139 17.153 11.245 1.00 0.00 N ATOM 31 CA THR A 45 -20.701 17.431 11.221 1.00 0.00 C ATOM 32 C THR A 45 -19.919 16.150 10.827 1.00 0.00 C ATOM 33 O THR A 45 -20.206 15.068 11.363 1.00 0.00 O ATOM 34 CB THR A 45 -20.210 17.962 12.609 1.00 0.00 C ATOM 35 OG1 THR A 45 -20.547 17.015 13.640 1.00 0.00 O ATOM 36 CG2 THR A 45 -20.832 19.330 12.954 1.00 0.00 C ATOM 0 H THR A 45 -22.530 17.090 12.185 1.00 0.00 H new ATOM 0 HA THR A 45 -20.513 18.205 10.477 1.00 0.00 H new ATOM 0 HB THR A 45 -19.129 18.087 12.549 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.236 17.351 14.507 1.00 0.00 H new ATOM 0 HG21 THR A 45 -20.465 19.662 13.925 1.00 0.00 H new ATOM 0 HG22 THR A 45 -20.554 20.059 12.192 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.918 19.238 12.989 1.00 0.00 H new ATOM 44 N PRO A 46 -18.950 16.241 9.848 1.00 0.00 N ATOM 45 CA PRO A 46 -18.139 15.078 9.400 1.00 0.00 C ATOM 46 C PRO A 46 -17.315 14.423 10.539 1.00 0.00 C ATOM 47 O PRO A 46 -16.927 15.092 11.507 1.00 0.00 O ATOM 48 CB PRO A 46 -17.203 15.681 8.310 1.00 0.00 C ATOM 49 CG PRO A 46 -17.915 16.914 7.852 1.00 0.00 C ATOM 50 CD PRO A 46 -18.590 17.468 9.085 1.00 0.00 C ATOM 0 HA PRO A 46 -18.774 14.270 9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.220 15.917 8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -17.048 14.982 7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.217 17.636 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.644 16.681 7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.923 18.116 9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -19.470 18.059 8.832 1.00 0.00 H new ATOM 58 N GLN A 47 -17.053 13.111 10.388 1.00 0.00 N ATOM 59 CA GLN A 47 -16.256 12.321 11.345 1.00 0.00 C ATOM 60 C GLN A 47 -14.775 12.743 11.318 1.00 0.00 C ATOM 61 O GLN A 47 -14.296 13.341 10.338 1.00 0.00 O ATOM 62 CB GLN A 47 -16.401 10.805 11.035 1.00 0.00 C ATOM 63 CG GLN A 47 -15.911 10.387 9.632 1.00 0.00 C ATOM 64 CD GLN A 47 -16.022 8.884 9.370 1.00 0.00 C ATOM 65 OE1 GLN A 47 -15.910 8.069 10.283 1.00 0.00 O ATOM 66 NE2 GLN A 47 -16.239 8.501 8.119 1.00 0.00 N ATOM 0 H GLN A 47 -17.390 12.567 9.594 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.636 12.513 12.348 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -15.845 10.240 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -17.449 10.525 11.138 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.489 10.923 8.879 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -14.872 10.693 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.328 9.199 7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.317 7.509 7.896 1.00 0.00 H new ATOM 75 N ASP A 48 -14.063 12.413 12.403 1.00 0.00 N ATOM 76 CA ASP A 48 -12.662 12.812 12.602 1.00 0.00 C ATOM 77 C ASP A 48 -11.711 11.943 11.760 1.00 0.00 C ATOM 78 O ASP A 48 -12.075 10.846 11.314 1.00 0.00 O ATOM 79 CB ASP A 48 -12.290 12.746 14.110 1.00 0.00 C ATOM 80 CG ASP A 48 -12.251 11.317 14.678 1.00 0.00 C ATOM 81 OD1 ASP A 48 -13.317 10.762 15.023 1.00 0.00 O ATOM 82 OD2 ASP A 48 -11.157 10.745 14.779 1.00 0.00 O ATOM 0 H ASP A 48 -14.443 11.860 13.171 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.550 13.842 12.265 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.315 13.211 14.255 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.011 13.333 14.679 1.00 0.00 H new ATOM 87 N LYS A 49 -10.484 12.449 11.554 1.00 0.00 N ATOM 88 CA LYS A 49 -9.444 11.773 10.749 1.00 0.00 C ATOM 89 C LYS A 49 -8.331 11.185 11.648 1.00 0.00 C ATOM 90 O LYS A 49 -7.283 10.758 11.150 1.00 0.00 O ATOM 91 CB LYS A 49 -8.880 12.773 9.701 1.00 0.00 C ATOM 92 CG LYS A 49 -9.918 13.210 8.633 1.00 0.00 C ATOM 93 CD LYS A 49 -10.345 12.042 7.709 1.00 0.00 C ATOM 94 CE LYS A 49 -11.469 12.431 6.729 1.00 0.00 C ATOM 95 NZ LYS A 49 -12.779 12.615 7.420 1.00 0.00 N ATOM 0 H LYS A 49 -10.181 13.342 11.941 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.888 10.929 10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.510 13.658 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.026 12.317 9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.799 13.616 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.496 14.012 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.479 11.699 7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.678 11.204 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.198 13.353 6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.568 11.659 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.506 12.876 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.052 11.728 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.694 13.370 8.130 1.00 0.00 H new ATOM 109 N LEU A 50 -8.573 11.153 12.975 1.00 0.00 N ATOM 110 CA LEU A 50 -7.712 10.425 13.932 1.00 0.00 C ATOM 111 C LEU A 50 -8.079 8.932 13.877 1.00 0.00 C ATOM 112 O LEU A 50 -7.229 8.049 14.026 1.00 0.00 O ATOM 113 CB LEU A 50 -7.897 10.989 15.367 1.00 0.00 C ATOM 114 CG LEU A 50 -7.607 12.515 15.541 1.00 0.00 C ATOM 115 CD1 LEU A 50 -7.853 12.976 16.995 1.00 0.00 C ATOM 116 CD2 LEU A 50 -6.179 12.875 15.070 1.00 0.00 C ATOM 0 H LEU A 50 -9.364 11.627 13.411 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.664 10.553 13.663 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.922 10.795 15.684 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.244 10.435 16.042 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.308 13.054 14.905 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.642 14.042 17.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.893 12.790 17.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.199 12.422 17.668 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.010 13.943 15.205 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.450 12.316 15.657 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.068 12.620 14.016 1.00 0.00 H new ATOM 128 N HIS A 51 -9.380 8.680 13.656 1.00 0.00 N ATOM 129 CA HIS A 51 -9.935 7.346 13.408 1.00 0.00 C ATOM 130 C HIS A 51 -10.304 7.271 11.922 1.00 0.00 C ATOM 131 O HIS A 51 -11.476 7.157 11.542 1.00 0.00 O ATOM 132 CB HIS A 51 -11.159 7.095 14.327 1.00 0.00 C ATOM 133 CG HIS A 51 -10.847 7.305 15.782 1.00 0.00 C ATOM 134 ND1 HIS A 51 -11.253 8.417 16.480 1.00 0.00 N ATOM 135 CD2 HIS A 51 -10.144 6.552 16.659 1.00 0.00 C ATOM 136 CE1 HIS A 51 -10.792 8.358 17.706 1.00 0.00 C ATOM 137 NE2 HIS A 51 -10.124 7.232 17.849 1.00 0.00 N ATOM 0 H HIS A 51 -10.087 9.415 13.645 1.00 0.00 H new ATOM 0 HA HIS A 51 -9.209 6.567 13.640 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -11.970 7.761 14.034 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -11.515 6.075 14.180 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -11.825 9.172 16.102 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.685 5.595 16.459 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.936 9.107 18.470 1.00 0.00 H new ATOM 146 N THR A 52 -9.260 7.397 11.083 1.00 0.00 N ATOM 147 CA THR A 52 -9.392 7.451 9.615 1.00 0.00 C ATOM 148 C THR A 52 -9.543 6.010 9.030 1.00 0.00 C ATOM 149 O THR A 52 -9.899 5.079 9.764 1.00 0.00 O ATOM 150 CB THR A 52 -8.178 8.262 9.002 1.00 0.00 C ATOM 151 OG1 THR A 52 -8.468 8.657 7.651 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.853 7.480 9.043 1.00 0.00 C ATOM 0 H THR A 52 -8.295 7.465 11.406 1.00 0.00 H new ATOM 0 HA THR A 52 -10.300 7.985 9.335 1.00 0.00 H new ATOM 0 HB THR A 52 -8.050 9.146 9.626 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.878 8.174 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.059 8.087 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.604 7.241 10.077 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.957 6.557 8.472 1.00 0.00 H new ATOM 160 N VAL A 53 -9.256 5.807 7.734 1.00 0.00 N ATOM 161 CA VAL A 53 -9.571 4.546 7.036 1.00 0.00 C ATOM 162 C VAL A 53 -8.322 3.648 7.008 1.00 0.00 C ATOM 163 O VAL A 53 -7.281 4.045 6.482 1.00 0.00 O ATOM 164 CB VAL A 53 -10.096 4.823 5.579 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.492 3.505 4.855 1.00 0.00 C ATOM 166 CG2 VAL A 53 -11.283 5.820 5.622 1.00 0.00 C ATOM 0 H VAL A 53 -8.803 6.504 7.143 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.366 4.032 7.577 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.287 5.272 5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.850 3.735 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.623 2.851 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.281 3.005 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.639 6.005 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.091 5.398 6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.954 6.758 6.068 1.00 0.00 H new ATOM 176 N ARG A 54 -8.425 2.459 7.624 1.00 0.00 N ATOM 177 CA ARG A 54 -7.348 1.457 7.657 1.00 0.00 C ATOM 178 C ARG A 54 -7.859 0.166 6.998 1.00 0.00 C ATOM 179 O ARG A 54 -8.999 -0.249 7.232 1.00 0.00 O ATOM 180 CB ARG A 54 -6.889 1.197 9.123 1.00 0.00 C ATOM 181 CG ARG A 54 -5.618 0.316 9.252 1.00 0.00 C ATOM 182 CD ARG A 54 -5.222 0.040 10.711 1.00 0.00 C ATOM 183 NE ARG A 54 -6.241 -0.759 11.414 1.00 0.00 N ATOM 184 CZ ARG A 54 -6.203 -1.109 12.705 1.00 0.00 C ATOM 185 NH1 ARG A 54 -5.235 -0.687 13.506 1.00 0.00 N ATOM 186 NH2 ARG A 54 -7.161 -1.874 13.197 1.00 0.00 N ATOM 0 H ARG A 54 -9.267 2.164 8.118 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.482 1.824 7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.702 2.155 9.607 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.704 0.719 9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.787 -0.632 8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.789 0.808 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.268 -0.486 10.735 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.078 0.986 11.233 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.045 -1.072 10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.499 -0.083 13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.226 -0.967 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.920 -2.192 12.594 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.142 -2.147 14.180 1.00 0.00 H new ATOM 200 N LEU A 55 -7.007 -0.464 6.180 1.00 0.00 N ATOM 201 CA LEU A 55 -7.360 -1.642 5.369 1.00 0.00 C ATOM 202 C LEU A 55 -6.189 -2.649 5.451 1.00 0.00 C ATOM 203 O LEU A 55 -5.016 -2.249 5.458 1.00 0.00 O ATOM 204 CB LEU A 55 -7.661 -1.157 3.904 1.00 0.00 C ATOM 205 CG LEU A 55 -8.397 -2.126 2.894 1.00 0.00 C ATOM 206 CD1 LEU A 55 -8.901 -1.344 1.654 1.00 0.00 C ATOM 207 CD2 LEU A 55 -7.511 -3.305 2.431 1.00 0.00 C ATOM 0 H LEU A 55 -6.038 -0.168 6.059 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.254 -2.149 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.259 -0.249 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.710 -0.877 3.452 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.242 -2.546 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.404 -2.029 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.599 -0.570 1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.054 -0.883 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.073 -3.933 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.623 -2.918 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.211 -3.896 3.296 1.00 0.00 H new ATOM 219 N PHE A 56 -6.516 -3.952 5.543 1.00 0.00 N ATOM 220 CA PHE A 56 -5.531 -5.055 5.601 1.00 0.00 C ATOM 221 C PHE A 56 -5.594 -5.841 4.276 1.00 0.00 C ATOM 222 O PHE A 56 -6.697 -6.175 3.808 1.00 0.00 O ATOM 223 CB PHE A 56 -5.840 -6.007 6.797 1.00 0.00 C ATOM 224 CG PHE A 56 -5.943 -5.320 8.161 1.00 0.00 C ATOM 225 CD1 PHE A 56 -7.139 -4.737 8.582 1.00 0.00 C ATOM 226 CD2 PHE A 56 -4.856 -5.266 9.027 1.00 0.00 C ATOM 227 CE1 PHE A 56 -7.236 -4.121 9.816 1.00 0.00 C ATOM 228 CE2 PHE A 56 -4.954 -4.652 10.260 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.144 -4.083 10.654 1.00 0.00 C ATOM 0 H PHE A 56 -7.483 -4.275 5.580 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.533 -4.641 5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.778 -6.525 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.060 -6.767 6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.002 -4.767 7.934 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.918 -5.712 8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.168 -3.670 10.123 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.096 -4.618 10.916 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.221 -3.607 11.620 1.00 0.00 H new ATOM 239 N GLY A 57 -4.434 -6.151 3.683 1.00 0.00 N ATOM 240 CA GLY A 57 -4.372 -6.865 2.404 1.00 0.00 C ATOM 241 C GLY A 57 -2.983 -7.392 2.116 1.00 0.00 C ATOM 242 O GLY A 57 -2.056 -7.142 2.878 1.00 0.00 O ATOM 0 H GLY A 57 -3.521 -5.916 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.079 -7.695 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.680 -6.196 1.600 1.00 0.00 H new ATOM 246 N THR A 58 -2.843 -8.104 0.996 1.00 0.00 N ATOM 247 CA THR A 58 -1.559 -8.674 0.541 1.00 0.00 C ATOM 248 C THR A 58 -1.129 -7.971 -0.756 1.00 0.00 C ATOM 249 O THR A 58 -1.963 -7.679 -1.587 1.00 0.00 O ATOM 250 CB THR A 58 -1.716 -10.215 0.308 1.00 0.00 C ATOM 251 OG1 THR A 58 -2.315 -10.813 1.476 1.00 0.00 O ATOM 252 CG2 THR A 58 -0.367 -10.905 0.031 1.00 0.00 C ATOM 0 H THR A 58 -3.621 -8.307 0.369 1.00 0.00 H new ATOM 0 HA THR A 58 -0.793 -8.518 1.301 1.00 0.00 H new ATOM 0 HB THR A 58 -2.348 -10.352 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.417 -11.777 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.529 -11.972 -0.124 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.086 -10.473 -0.862 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.298 -10.759 0.882 1.00 0.00 H new ATOM 260 N VAL A 59 0.171 -7.680 -0.910 1.00 0.00 N ATOM 261 CA VAL A 59 0.700 -6.990 -2.105 1.00 0.00 C ATOM 262 C VAL A 59 0.740 -7.952 -3.306 1.00 0.00 C ATOM 263 O VAL A 59 1.205 -9.091 -3.170 1.00 0.00 O ATOM 264 CB VAL A 59 2.145 -6.417 -1.828 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.710 -5.649 -3.054 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.144 -5.520 -0.574 1.00 0.00 C ATOM 0 H VAL A 59 0.884 -7.912 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 59 0.035 -6.158 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 59 2.803 -7.267 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.706 -5.272 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.769 -6.322 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.053 -4.813 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.149 -5.135 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.457 -4.687 -0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.825 -6.103 0.290 1.00 0.00 H new ATOM 276 N ALA A 60 0.232 -7.497 -4.465 1.00 0.00 N ATOM 277 CA ALA A 60 0.360 -8.234 -5.729 1.00 0.00 C ATOM 278 C ALA A 60 1.784 -8.086 -6.283 1.00 0.00 C ATOM 279 O ALA A 60 2.361 -6.987 -6.257 1.00 0.00 O ATOM 280 CB ALA A 60 -0.662 -7.746 -6.775 1.00 0.00 C ATOM 0 H ALA A 60 -0.274 -6.615 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 60 0.156 -9.285 -5.524 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.538 -8.314 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.672 -7.892 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.499 -6.687 -6.976 1.00 0.00 H new ATOM 286 N ALA A 61 2.330 -9.203 -6.782 1.00 0.00 N ATOM 287 CA ALA A 61 3.625 -9.232 -7.484 1.00 0.00 C ATOM 288 C ALA A 61 3.510 -8.668 -8.919 1.00 0.00 C ATOM 289 O ALA A 61 4.507 -8.598 -9.654 1.00 0.00 O ATOM 290 CB ALA A 61 4.174 -10.663 -7.487 1.00 0.00 C ATOM 0 H ALA A 61 1.885 -10.118 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 61 4.324 -8.587 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.132 -10.684 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.310 -11.003 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.471 -11.322 -7.996 1.00 0.00 H new ATOM 296 N ASP A 62 2.286 -8.255 -9.304 1.00 0.00 N ATOM 297 CA ASP A 62 2.010 -7.606 -10.584 1.00 0.00 C ATOM 298 C ASP A 62 1.172 -6.333 -10.342 1.00 0.00 C ATOM 299 O ASP A 62 0.071 -6.399 -9.782 1.00 0.00 O ATOM 300 CB ASP A 62 1.286 -8.589 -11.534 1.00 0.00 C ATOM 301 CG ASP A 62 1.174 -8.060 -12.978 1.00 0.00 C ATOM 302 OD1 ASP A 62 2.142 -8.228 -13.752 1.00 0.00 O ATOM 303 OD2 ASP A 62 0.134 -7.472 -13.337 1.00 0.00 O ATOM 0 H ASP A 62 1.456 -8.368 -8.721 1.00 0.00 H new ATOM 0 HA ASP A 62 2.946 -7.316 -11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.821 -9.539 -11.541 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.287 -8.789 -11.148 1.00 0.00 H new ATOM 308 N GLY A 63 1.720 -5.183 -10.764 1.00 0.00 N ATOM 309 CA GLY A 63 1.090 -3.865 -10.574 1.00 0.00 C ATOM 310 C GLY A 63 1.888 -2.954 -9.640 1.00 0.00 C ATOM 311 O GLY A 63 1.558 -1.774 -9.479 1.00 0.00 O ATOM 0 H GLY A 63 2.616 -5.140 -11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.980 -3.377 -11.543 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.087 -4.002 -10.170 1.00 0.00 H new ATOM 315 N LEU A 64 2.944 -3.510 -9.021 1.00 0.00 N ATOM 316 CA LEU A 64 3.848 -2.773 -8.119 1.00 0.00 C ATOM 317 C LEU A 64 4.756 -1.845 -8.974 1.00 0.00 C ATOM 318 O LEU A 64 5.662 -2.322 -9.665 1.00 0.00 O ATOM 319 CB LEU A 64 4.670 -3.799 -7.257 1.00 0.00 C ATOM 320 CG LEU A 64 5.258 -3.307 -5.879 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.845 -4.491 -5.066 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.319 -2.192 -6.044 1.00 0.00 C ATOM 0 H LEU A 64 3.197 -4.492 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 64 3.289 -2.145 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.028 -4.657 -7.058 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.501 -4.156 -7.866 1.00 0.00 H new ATOM 0 HG LEU A 64 4.422 -2.878 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.243 -4.122 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.060 -5.221 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.645 -4.963 -5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.688 -1.893 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.148 -2.565 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.869 -1.332 -6.540 1.00 0.00 H new ATOM 334 N THR A 65 4.471 -0.528 -8.943 1.00 0.00 N ATOM 335 CA THR A 65 5.203 0.488 -9.720 1.00 0.00 C ATOM 336 C THR A 65 5.440 1.750 -8.850 1.00 0.00 C ATOM 337 O THR A 65 4.490 2.335 -8.327 1.00 0.00 O ATOM 338 CB THR A 65 4.413 0.866 -11.019 1.00 0.00 C ATOM 339 OG1 THR A 65 3.983 -0.330 -11.699 1.00 0.00 O ATOM 340 CG2 THR A 65 5.267 1.718 -11.983 1.00 0.00 C ATOM 0 H THR A 65 3.720 -0.138 -8.373 1.00 0.00 H new ATOM 0 HA THR A 65 6.167 0.073 -10.014 1.00 0.00 H new ATOM 0 HB THR A 65 3.549 1.457 -10.715 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.489 -0.086 -12.509 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.682 1.959 -12.871 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.567 2.640 -11.485 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.155 1.157 -12.274 1.00 0.00 H new ATOM 348 N MET A 66 6.710 2.189 -8.734 1.00 0.00 N ATOM 349 CA MET A 66 7.119 3.250 -7.778 1.00 0.00 C ATOM 350 C MET A 66 7.179 4.625 -8.483 1.00 0.00 C ATOM 351 O MET A 66 7.249 4.687 -9.714 1.00 0.00 O ATOM 352 CB MET A 66 8.489 2.889 -7.141 1.00 0.00 C ATOM 353 CG MET A 66 8.541 1.485 -6.509 1.00 0.00 C ATOM 354 SD MET A 66 10.044 1.184 -5.544 1.00 0.00 S ATOM 355 CE MET A 66 9.839 2.326 -4.172 1.00 0.00 C ATOM 0 H MET A 66 7.480 1.824 -9.294 1.00 0.00 H new ATOM 0 HA MET A 66 6.375 3.316 -6.984 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.263 2.960 -7.906 1.00 0.00 H new ATOM 0 HB3 MET A 66 8.728 3.628 -6.377 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.672 1.353 -5.864 1.00 0.00 H new ATOM 0 HG3 MET A 66 8.469 0.737 -7.298 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.586 3.116 -4.242 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.842 2.765 -4.210 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.964 1.790 -3.231 1.00 0.00 H new ATOM 365 N LEU A 67 7.170 5.717 -7.696 1.00 0.00 N ATOM 366 CA LEU A 67 7.135 7.101 -8.233 1.00 0.00 C ATOM 367 C LEU A 67 8.554 7.585 -8.631 1.00 0.00 C ATOM 368 O LEU A 67 9.511 7.388 -7.880 1.00 0.00 O ATOM 369 CB LEU A 67 6.508 8.059 -7.177 1.00 0.00 C ATOM 370 CG LEU A 67 5.079 7.677 -6.654 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.596 8.679 -5.579 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.059 7.557 -7.816 1.00 0.00 C ATOM 0 H LEU A 67 7.187 5.672 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 67 6.519 7.107 -9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.182 8.114 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.458 9.059 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 67 5.150 6.695 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.603 8.391 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.289 8.672 -4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.555 9.680 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.081 7.291 -7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.990 8.511 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.388 6.785 -8.511 1.00 0.00 H new ATOM 384 N ASP A 68 8.670 8.220 -9.822 1.00 0.00 N ATOM 385 CA ASP A 68 9.956 8.736 -10.355 1.00 0.00 C ATOM 386 C ASP A 68 10.389 10.000 -9.605 1.00 0.00 C ATOM 387 O ASP A 68 9.735 11.045 -9.720 1.00 0.00 O ATOM 388 CB ASP A 68 9.851 9.042 -11.874 1.00 0.00 C ATOM 389 CG ASP A 68 9.647 7.785 -12.722 1.00 0.00 C ATOM 390 OD1 ASP A 68 10.644 7.081 -13.001 1.00 0.00 O ATOM 391 OD2 ASP A 68 8.499 7.495 -13.122 1.00 0.00 O ATOM 0 H ASP A 68 7.876 8.389 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 68 10.706 7.959 -10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.021 9.728 -12.045 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.758 9.551 -12.200 1.00 0.00 H new ATOM 396 N GLY A 69 11.485 9.894 -8.828 1.00 0.00 N ATOM 397 CA GLY A 69 12.035 11.024 -8.075 1.00 0.00 C ATOM 398 C GLY A 69 11.335 11.223 -6.733 1.00 0.00 C ATOM 399 O GLY A 69 11.985 11.283 -5.683 1.00 0.00 O ATOM 0 H GLY A 69 12.007 9.026 -8.709 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.099 10.861 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.942 11.933 -8.669 1.00 0.00 H new ATOM 403 N ALA A 70 9.997 11.338 -6.787 1.00 0.00 N ATOM 404 CA ALA A 70 9.139 11.471 -5.603 1.00 0.00 C ATOM 405 C ALA A 70 9.202 10.198 -4.731 1.00 0.00 C ATOM 406 O ALA A 70 9.055 9.084 -5.266 1.00 0.00 O ATOM 407 CB ALA A 70 7.693 11.760 -6.037 1.00 0.00 C ATOM 0 H ALA A 70 9.478 11.341 -7.665 1.00 0.00 H new ATOM 0 HA ALA A 70 9.501 12.305 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.061 11.858 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.663 12.687 -6.609 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.328 10.940 -6.656 1.00 0.00 H new ATOM 413 N PRO A 71 9.457 10.333 -3.389 1.00 0.00 N ATOM 414 CA PRO A 71 9.390 9.192 -2.450 1.00 0.00 C ATOM 415 C PRO A 71 7.965 8.609 -2.398 1.00 0.00 C ATOM 416 O PRO A 71 7.028 9.288 -1.966 1.00 0.00 O ATOM 417 CB PRO A 71 9.818 9.806 -1.081 1.00 0.00 C ATOM 418 CG PRO A 71 10.537 11.072 -1.442 1.00 0.00 C ATOM 419 CD PRO A 71 9.845 11.586 -2.683 1.00 0.00 C ATOM 0 HA PRO A 71 10.031 8.360 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.953 10.008 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.466 9.127 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.483 11.799 -0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.594 10.884 -1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.977 12.197 -2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.508 12.203 -3.289 1.00 0.00 H new ATOM 427 N GLY A 72 7.806 7.370 -2.878 1.00 0.00 N ATOM 428 CA GLY A 72 6.506 6.714 -2.889 1.00 0.00 C ATOM 429 C GLY A 72 6.457 5.483 -3.773 1.00 0.00 C ATOM 430 O GLY A 72 7.414 5.167 -4.498 1.00 0.00 O ATOM 0 H GLY A 72 8.565 6.807 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.242 6.431 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.752 7.425 -3.227 1.00 0.00 H new ATOM 434 N VAL A 73 5.301 4.817 -3.716 1.00 0.00 N ATOM 435 CA VAL A 73 5.011 3.581 -4.431 1.00 0.00 C ATOM 436 C VAL A 73 3.497 3.478 -4.641 1.00 0.00 C ATOM 437 O VAL A 73 2.712 3.734 -3.719 1.00 0.00 O ATOM 438 CB VAL A 73 5.545 2.303 -3.656 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.915 2.148 -2.243 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.348 1.014 -4.493 1.00 0.00 C ATOM 0 H VAL A 73 4.516 5.139 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 73 5.527 3.609 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 73 6.614 2.458 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.318 1.257 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.152 3.025 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.833 2.053 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.724 0.157 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.287 0.874 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.894 1.103 -5.432 1.00 0.00 H new ATOM 450 N ARG A 74 3.082 3.176 -5.870 1.00 0.00 N ATOM 451 CA ARG A 74 1.734 2.693 -6.151 1.00 0.00 C ATOM 452 C ARG A 74 1.827 1.177 -6.352 1.00 0.00 C ATOM 453 O ARG A 74 2.811 0.687 -6.908 1.00 0.00 O ATOM 454 CB ARG A 74 1.135 3.366 -7.406 1.00 0.00 C ATOM 455 CG ARG A 74 -0.323 2.927 -7.729 1.00 0.00 C ATOM 456 CD ARG A 74 -0.793 3.415 -9.104 1.00 0.00 C ATOM 457 NE ARG A 74 0.123 2.975 -10.172 1.00 0.00 N ATOM 458 CZ ARG A 74 -0.210 2.288 -11.278 1.00 0.00 C ATOM 459 NH1 ARG A 74 -1.467 1.919 -11.512 1.00 0.00 N ATOM 460 NH2 ARG A 74 0.743 1.966 -12.147 1.00 0.00 N ATOM 0 H ARG A 74 3.672 3.260 -6.698 1.00 0.00 H new ATOM 0 HA ARG A 74 1.073 2.940 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.156 4.447 -7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.769 3.141 -8.263 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.388 1.840 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.994 3.313 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.795 3.036 -9.303 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.858 4.503 -9.103 1.00 0.00 H new ATOM 0 HE ARG A 74 1.108 3.216 -10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.201 2.157 -10.845 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.696 1.398 -12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.709 2.240 -11.969 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.508 1.445 -12.992 1.00 0.00 H new ATOM 474 N PHE A 75 0.827 0.441 -5.899 1.00 0.00 N ATOM 475 CA PHE A 75 0.786 -1.018 -6.056 1.00 0.00 C ATOM 476 C PHE A 75 -0.646 -1.508 -5.984 1.00 0.00 C ATOM 477 O PHE A 75 -1.530 -0.795 -5.510 1.00 0.00 O ATOM 478 CB PHE A 75 1.695 -1.738 -5.011 1.00 0.00 C ATOM 479 CG PHE A 75 1.344 -1.488 -3.540 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.799 -0.345 -2.879 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.594 -2.414 -2.808 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.505 -0.131 -1.541 1.00 0.00 C ATOM 483 CE2 PHE A 75 0.305 -2.199 -1.476 1.00 0.00 C ATOM 484 CZ PHE A 75 0.760 -1.064 -0.843 1.00 0.00 C ATOM 0 H PHE A 75 0.019 0.828 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 75 1.185 -1.268 -7.039 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.653 -2.811 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.726 -1.426 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.388 0.382 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.236 -3.310 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.857 0.762 -1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.280 -2.923 -0.928 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.535 -0.902 0.201 1.00 0.00 H new ATOM 494 N ARG A 76 -0.865 -2.737 -6.447 1.00 0.00 N ATOM 495 CA ARG A 76 -2.185 -3.343 -6.487 1.00 0.00 C ATOM 496 C ARG A 76 -2.318 -4.251 -5.269 1.00 0.00 C ATOM 497 O ARG A 76 -1.664 -5.288 -5.181 1.00 0.00 O ATOM 498 CB ARG A 76 -2.365 -4.118 -7.808 1.00 0.00 C ATOM 499 CG ARG A 76 -3.751 -4.771 -7.981 1.00 0.00 C ATOM 500 CD ARG A 76 -3.988 -5.277 -9.410 1.00 0.00 C ATOM 501 NE ARG A 76 -2.957 -6.242 -9.848 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.014 -6.962 -10.977 1.00 0.00 C ATOM 503 NH1 ARG A 76 -4.093 -6.944 -11.746 1.00 0.00 N ATOM 504 NH2 ARG A 76 -1.998 -7.730 -11.312 1.00 0.00 N ATOM 0 H ARG A 76 -0.125 -3.340 -6.806 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.968 -2.586 -6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.192 -3.437 -8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.602 -4.894 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.846 -5.603 -7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.525 -4.048 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.969 -5.748 -9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.001 -4.429 -10.095 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.143 -6.369 -9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.898 -6.376 -11.482 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.119 -7.498 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.173 -7.775 -10.713 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.036 -8.280 -12.170 1.00 0.00 H new ATOM 518 N LEU A 77 -3.097 -3.795 -4.292 1.00 0.00 N ATOM 519 CA LEU A 77 -3.331 -4.534 -3.054 1.00 0.00 C ATOM 520 C LEU A 77 -4.452 -5.556 -3.264 1.00 0.00 C ATOM 521 O LEU A 77 -5.598 -5.182 -3.554 1.00 0.00 O ATOM 522 CB LEU A 77 -3.713 -3.569 -1.901 1.00 0.00 C ATOM 523 CG LEU A 77 -3.719 -4.198 -0.477 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.307 -4.659 -0.093 1.00 0.00 C ATOM 525 CD2 LEU A 77 -4.287 -3.228 0.575 1.00 0.00 C ATOM 0 H LEU A 77 -3.585 -2.900 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.411 -5.052 -2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.017 -2.730 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.704 -3.162 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.377 -5.067 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.326 -5.097 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.960 -5.404 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.630 -3.804 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.274 -3.705 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.678 -2.324 0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.312 -2.966 0.313 1.00 0.00 H new ATOM 537 N GLU A 78 -4.094 -6.838 -3.112 1.00 0.00 N ATOM 538 CA GLU A 78 -5.043 -7.954 -3.097 1.00 0.00 C ATOM 539 C GLU A 78 -5.821 -7.884 -1.776 1.00 0.00 C ATOM 540 O GLU A 78 -5.369 -8.398 -0.739 1.00 0.00 O ATOM 541 CB GLU A 78 -4.271 -9.308 -3.210 1.00 0.00 C ATOM 542 CG GLU A 78 -3.211 -9.350 -4.321 1.00 0.00 C ATOM 543 CD GLU A 78 -3.789 -9.359 -5.749 1.00 0.00 C ATOM 544 OE1 GLU A 78 -4.032 -8.272 -6.323 1.00 0.00 O ATOM 545 OE2 GLU A 78 -3.990 -10.462 -6.310 1.00 0.00 O ATOM 0 H GLU A 78 -3.124 -7.131 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.731 -7.890 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.786 -9.515 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.991 -10.108 -3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.554 -8.487 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.595 -10.239 -4.186 1.00 0.00 H new ATOM 552 N ASP A 79 -6.942 -7.148 -1.819 1.00 0.00 N ATOM 553 CA ASP A 79 -7.833 -6.966 -0.663 1.00 0.00 C ATOM 554 C ASP A 79 -8.413 -8.321 -0.231 1.00 0.00 C ATOM 555 O ASP A 79 -8.917 -9.072 -1.063 1.00 0.00 O ATOM 556 CB ASP A 79 -8.961 -5.951 -0.993 1.00 0.00 C ATOM 557 CG ASP A 79 -10.033 -5.831 0.114 1.00 0.00 C ATOM 558 OD1 ASP A 79 -9.673 -5.699 1.302 1.00 0.00 O ATOM 559 OD2 ASP A 79 -11.240 -5.891 -0.195 1.00 0.00 O ATOM 0 H ASP A 79 -7.257 -6.661 -2.658 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.256 -6.558 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.517 -4.970 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.444 -6.248 -1.924 1.00 0.00 H new ATOM 564 N LYS A 80 -8.334 -8.607 1.074 1.00 0.00 N ATOM 565 CA LYS A 80 -8.680 -9.926 1.622 1.00 0.00 C ATOM 566 C LYS A 80 -10.206 -10.150 1.600 1.00 0.00 C ATOM 567 O LYS A 80 -10.669 -11.254 1.298 1.00 0.00 O ATOM 568 CB LYS A 80 -8.098 -10.070 3.058 1.00 0.00 C ATOM 569 CG LYS A 80 -8.150 -11.496 3.651 1.00 0.00 C ATOM 570 CD LYS A 80 -7.422 -12.562 2.781 1.00 0.00 C ATOM 571 CE LYS A 80 -5.933 -12.250 2.506 1.00 0.00 C ATOM 572 NZ LYS A 80 -5.149 -12.108 3.758 1.00 0.00 N ATOM 0 H LYS A 80 -8.030 -7.935 1.778 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.235 -10.699 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.060 -9.736 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.642 -9.398 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.702 -11.483 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.192 -11.791 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.493 -13.529 3.278 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.944 -12.654 1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.503 -13.046 1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.857 -11.330 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.154 -11.916 3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.531 -11.320 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.212 -12.988 4.309 1.00 0.00 H new ATOM 586 N ASP A 81 -10.973 -9.079 1.884 1.00 0.00 N ATOM 587 CA ASP A 81 -12.454 -9.134 1.925 1.00 0.00 C ATOM 588 C ASP A 81 -13.039 -9.331 0.520 1.00 0.00 C ATOM 589 O ASP A 81 -13.932 -10.164 0.319 1.00 0.00 O ATOM 590 CB ASP A 81 -13.026 -7.847 2.573 1.00 0.00 C ATOM 591 CG ASP A 81 -12.763 -7.786 4.086 1.00 0.00 C ATOM 592 OD1 ASP A 81 -11.647 -7.391 4.492 1.00 0.00 O ATOM 593 OD2 ASP A 81 -13.661 -8.168 4.876 1.00 0.00 O ATOM 0 H ASP A 81 -10.590 -8.156 2.091 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.742 -9.991 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.582 -6.974 2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.100 -7.798 2.391 1.00 0.00 H new ATOM 598 N ASN A 82 -12.511 -8.573 -0.452 1.00 0.00 N ATOM 599 CA ASN A 82 -12.959 -8.629 -1.852 1.00 0.00 C ATOM 600 C ASN A 82 -11.717 -8.574 -2.760 1.00 0.00 C ATOM 601 O ASN A 82 -11.236 -7.497 -3.117 1.00 0.00 O ATOM 602 CB ASN A 82 -13.949 -7.461 -2.150 1.00 0.00 C ATOM 603 CG ASN A 82 -14.662 -7.555 -3.511 1.00 0.00 C ATOM 604 OD1 ASN A 82 -14.173 -8.170 -4.458 1.00 0.00 O ATOM 605 ND2 ASN A 82 -15.817 -6.907 -3.627 1.00 0.00 N ATOM 0 H ASN A 82 -11.760 -7.902 -0.290 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.497 -9.557 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.702 -7.430 -1.362 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -13.402 -6.519 -2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -16.318 -6.913 -4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.202 -6.404 -2.827 1.00 0.00 H new ATOM 612 N THR A 83 -11.172 -9.761 -3.080 1.00 0.00 N ATOM 613 CA THR A 83 -9.994 -9.899 -3.960 1.00 0.00 C ATOM 614 C THR A 83 -10.391 -9.725 -5.447 1.00 0.00 C ATOM 615 O THR A 83 -9.544 -9.451 -6.301 1.00 0.00 O ATOM 616 CB THR A 83 -9.279 -11.277 -3.706 1.00 0.00 C ATOM 617 OG1 THR A 83 -8.068 -11.384 -4.472 1.00 0.00 O ATOM 618 CG2 THR A 83 -10.192 -12.483 -4.017 1.00 0.00 C ATOM 0 H THR A 83 -11.534 -10.651 -2.737 1.00 0.00 H new ATOM 0 HA THR A 83 -9.285 -9.106 -3.720 1.00 0.00 H new ATOM 0 HB THR A 83 -9.038 -11.301 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.644 -12.249 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.650 -13.409 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.077 -12.442 -3.382 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.494 -12.450 -5.064 1.00 0.00 H new ATOM 626 N SER A 84 -11.698 -9.871 -5.728 1.00 0.00 N ATOM 627 CA SER A 84 -12.290 -9.581 -7.056 1.00 0.00 C ATOM 628 C SER A 84 -12.260 -8.064 -7.374 1.00 0.00 C ATOM 629 O SER A 84 -12.369 -7.664 -8.542 1.00 0.00 O ATOM 630 CB SER A 84 -13.738 -10.130 -7.111 1.00 0.00 C ATOM 631 OG SER A 84 -14.346 -9.910 -8.377 1.00 0.00 O ATOM 0 H SER A 84 -12.380 -10.194 -5.042 1.00 0.00 H new ATOM 0 HA SER A 84 -11.690 -10.079 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.729 -11.198 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 84 -14.336 -9.653 -6.334 1.00 0.00 H new ATOM 0 HG SER A 84 -15.257 -10.272 -8.370 1.00 0.00 H new ATOM 637 N LYS A 85 -12.100 -7.235 -6.319 1.00 0.00 N ATOM 638 CA LYS A 85 -11.989 -5.768 -6.430 1.00 0.00 C ATOM 639 C LYS A 85 -10.792 -5.294 -5.591 1.00 0.00 C ATOM 640 O LYS A 85 -10.920 -5.004 -4.399 1.00 0.00 O ATOM 641 CB LYS A 85 -13.320 -5.045 -6.027 1.00 0.00 C ATOM 642 CG LYS A 85 -14.476 -5.224 -7.048 1.00 0.00 C ATOM 643 CD LYS A 85 -14.111 -4.660 -8.448 1.00 0.00 C ATOM 644 CE LYS A 85 -15.172 -4.957 -9.514 1.00 0.00 C ATOM 645 NZ LYS A 85 -16.483 -4.326 -9.207 1.00 0.00 N ATOM 0 H LYS A 85 -12.044 -7.571 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.816 -5.501 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -13.645 -5.421 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.120 -3.981 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -14.720 -6.283 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -15.369 -4.721 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.972 -3.581 -8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.158 -5.083 -8.766 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.819 -4.601 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -15.303 -6.036 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.164 -4.558 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.836 -4.684 -8.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.367 -3.294 -9.151 1.00 0.00 H new ATOM 659 N THR A 86 -9.614 -5.269 -6.233 1.00 0.00 N ATOM 660 CA THR A 86 -8.349 -4.876 -5.599 1.00 0.00 C ATOM 661 C THR A 86 -8.222 -3.341 -5.538 1.00 0.00 C ATOM 662 O THR A 86 -8.781 -2.629 -6.384 1.00 0.00 O ATOM 663 CB THR A 86 -7.146 -5.487 -6.387 1.00 0.00 C ATOM 664 OG1 THR A 86 -7.202 -5.080 -7.762 1.00 0.00 O ATOM 665 CG2 THR A 86 -7.143 -7.023 -6.318 1.00 0.00 C ATOM 0 H THR A 86 -9.513 -5.524 -7.216 1.00 0.00 H new ATOM 0 HA THR A 86 -8.339 -5.260 -4.579 1.00 0.00 H new ATOM 0 HB THR A 86 -6.231 -5.119 -5.923 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.950 -5.833 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.292 -7.411 -6.878 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.068 -7.340 -5.278 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.067 -7.408 -6.749 1.00 0.00 H new ATOM 673 N VAL A 87 -7.494 -2.838 -4.531 1.00 0.00 N ATOM 674 CA VAL A 87 -7.319 -1.388 -4.296 1.00 0.00 C ATOM 675 C VAL A 87 -5.916 -0.955 -4.755 1.00 0.00 C ATOM 676 O VAL A 87 -4.929 -1.570 -4.360 1.00 0.00 O ATOM 677 CB VAL A 87 -7.501 -1.033 -2.764 1.00 0.00 C ATOM 678 CG1 VAL A 87 -7.460 0.498 -2.527 1.00 0.00 C ATOM 679 CG2 VAL A 87 -8.797 -1.656 -2.190 1.00 0.00 C ATOM 0 H VAL A 87 -7.007 -3.422 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.079 -0.856 -4.868 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.659 -1.470 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.588 0.705 -1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.500 0.892 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.263 0.975 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.891 -1.393 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.658 -1.274 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.755 -2.741 -2.291 1.00 0.00 H new ATOM 689 N TRP A 88 -5.827 0.107 -5.575 1.00 0.00 N ATOM 690 CA TRP A 88 -4.538 0.707 -5.957 1.00 0.00 C ATOM 691 C TRP A 88 -4.041 1.588 -4.811 1.00 0.00 C ATOM 692 O TRP A 88 -4.519 2.683 -4.636 1.00 0.00 O ATOM 693 CB TRP A 88 -4.670 1.531 -7.269 1.00 0.00 C ATOM 694 CG TRP A 88 -4.855 0.672 -8.494 1.00 0.00 C ATOM 695 CD1 TRP A 88 -6.014 0.412 -9.165 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.823 -0.055 -9.174 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.763 -0.423 -10.222 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.429 -0.728 -10.246 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.445 -0.200 -8.971 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.702 -1.537 -11.120 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.726 -0.997 -9.838 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.356 -1.658 -10.901 1.00 0.00 C ATOM 0 H TRP A 88 -6.638 0.569 -5.987 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.816 -0.087 -6.145 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.517 2.212 -7.179 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.779 2.146 -7.395 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.985 0.806 -8.902 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.459 -0.763 -10.885 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.954 0.303 -8.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -4.184 -2.049 -11.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.662 -1.113 -9.695 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.767 -2.276 -11.562 1.00 0.00 H new ATOM 713 N VAL A 89 -3.107 1.090 -4.012 1.00 0.00 N ATOM 714 CA VAL A 89 -2.607 1.841 -2.863 1.00 0.00 C ATOM 715 C VAL A 89 -1.456 2.743 -3.303 1.00 0.00 C ATOM 716 O VAL A 89 -0.376 2.273 -3.669 1.00 0.00 O ATOM 717 CB VAL A 89 -2.141 0.894 -1.718 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.658 1.703 -0.490 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.268 -0.086 -1.340 1.00 0.00 C ATOM 0 H VAL A 89 -2.680 0.172 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.422 2.451 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.293 0.310 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.338 1.017 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.821 2.339 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.474 2.324 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.927 -0.741 -0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.140 0.475 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.535 -0.686 -2.210 1.00 0.00 H new ATOM 729 N LEU A 90 -1.740 4.047 -3.296 1.00 0.00 N ATOM 730 CA LEU A 90 -0.754 5.084 -3.535 1.00 0.00 C ATOM 731 C LEU A 90 -0.204 5.530 -2.172 1.00 0.00 C ATOM 732 O LEU A 90 -0.802 6.360 -1.481 1.00 0.00 O ATOM 733 CB LEU A 90 -1.396 6.272 -4.305 1.00 0.00 C ATOM 734 CG LEU A 90 -0.444 7.459 -4.656 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.740 6.998 -5.539 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.232 8.619 -5.310 1.00 0.00 C ATOM 0 H LEU A 90 -2.677 4.410 -3.121 1.00 0.00 H new ATOM 0 HA LEU A 90 0.061 4.707 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.823 5.889 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.223 6.660 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.016 7.832 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.381 7.851 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.317 6.241 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.358 6.577 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.549 9.435 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.706 8.266 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.997 8.974 -4.619 1.00 0.00 H new ATOM 748 N TYR A 91 0.910 4.906 -1.783 1.00 0.00 N ATOM 749 CA TYR A 91 1.655 5.256 -0.568 1.00 0.00 C ATOM 750 C TYR A 91 2.751 6.266 -0.936 1.00 0.00 C ATOM 751 O TYR A 91 3.691 5.920 -1.634 1.00 0.00 O ATOM 752 CB TYR A 91 2.281 3.995 0.099 1.00 0.00 C ATOM 753 CG TYR A 91 3.246 4.338 1.255 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.781 4.963 2.419 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.614 4.059 1.175 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.643 5.297 3.443 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.473 4.388 2.204 1.00 0.00 C ATOM 758 CZ TYR A 91 4.983 5.002 3.333 1.00 0.00 C ATOM 759 OH TYR A 91 5.839 5.334 4.361 1.00 0.00 O ATOM 0 H TYR A 91 1.326 4.136 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 91 0.968 5.697 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.482 3.357 0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.817 3.420 -0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.729 5.187 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.006 3.577 0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.268 5.788 4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.526 4.164 2.123 1.00 0.00 H new ATOM 0 HH TYR A 91 6.762 5.144 4.092 1.00 0.00 H new ATOM 769 N LYS A 92 2.618 7.511 -0.478 1.00 0.00 N ATOM 770 CA LYS A 92 3.616 8.565 -0.710 1.00 0.00 C ATOM 771 C LYS A 92 4.405 8.816 0.583 1.00 0.00 C ATOM 772 O LYS A 92 3.842 9.227 1.603 1.00 0.00 O ATOM 773 CB LYS A 92 2.911 9.839 -1.229 1.00 0.00 C ATOM 774 CG LYS A 92 2.326 9.662 -2.653 1.00 0.00 C ATOM 775 CD LYS A 92 1.430 10.829 -3.096 1.00 0.00 C ATOM 776 CE LYS A 92 0.128 10.914 -2.287 1.00 0.00 C ATOM 777 NZ LYS A 92 -0.752 11.985 -2.786 1.00 0.00 N ATOM 0 H LYS A 92 1.814 7.822 0.067 1.00 0.00 H new ATOM 0 HA LYS A 92 4.330 8.254 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.109 10.110 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.621 10.666 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.146 9.554 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.749 8.738 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.980 11.764 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.190 10.717 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.395 9.959 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.362 11.094 -1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.622 12.013 -2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.261 12.899 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.995 11.800 -3.780 1.00 0.00 H new ATOM 791 N GLY A 93 5.708 8.529 0.512 1.00 0.00 N ATOM 792 CA GLY A 93 6.629 8.630 1.639 1.00 0.00 C ATOM 793 C GLY A 93 7.795 7.678 1.457 1.00 0.00 C ATOM 794 O GLY A 93 7.914 7.029 0.408 1.00 0.00 O ATOM 0 H GLY A 93 6.157 8.214 -0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.997 9.653 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.105 8.400 2.567 1.00 0.00 H new ATOM 798 N ALA A 94 8.667 7.600 2.473 1.00 0.00 N ATOM 799 CA ALA A 94 9.776 6.637 2.497 1.00 0.00 C ATOM 800 C ALA A 94 9.213 5.210 2.594 1.00 0.00 C ATOM 801 O ALA A 94 8.608 4.839 3.608 1.00 0.00 O ATOM 802 CB ALA A 94 10.721 6.942 3.675 1.00 0.00 C ATOM 0 H ALA A 94 8.623 8.200 3.297 1.00 0.00 H new ATOM 0 HA ALA A 94 10.353 6.722 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.539 6.221 3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.125 7.948 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.169 6.873 4.612 1.00 0.00 H new ATOM 808 N VAL A 95 9.400 4.429 1.520 1.00 0.00 N ATOM 809 CA VAL A 95 8.857 3.070 1.404 1.00 0.00 C ATOM 810 C VAL A 95 9.755 2.097 2.187 1.00 0.00 C ATOM 811 O VAL A 95 10.969 2.107 1.975 1.00 0.00 O ATOM 812 CB VAL A 95 8.751 2.633 -0.109 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.099 1.232 -0.263 1.00 0.00 C ATOM 814 CG2 VAL A 95 7.988 3.701 -0.930 1.00 0.00 C ATOM 0 H VAL A 95 9.935 4.725 0.704 1.00 0.00 H new ATOM 0 HA VAL A 95 7.851 3.051 1.824 1.00 0.00 H new ATOM 0 HB VAL A 95 9.764 2.556 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.045 0.970 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.700 0.491 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.094 1.250 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.925 3.383 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.983 3.822 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.519 4.651 -0.873 1.00 0.00 H new ATOM 824 N PRO A 96 9.190 1.274 3.139 1.00 0.00 N ATOM 825 CA PRO A 96 9.988 0.328 3.960 1.00 0.00 C ATOM 826 C PRO A 96 10.793 -0.674 3.096 1.00 0.00 C ATOM 827 O PRO A 96 10.328 -1.118 2.045 1.00 0.00 O ATOM 828 CB PRO A 96 8.927 -0.398 4.834 1.00 0.00 C ATOM 829 CG PRO A 96 7.617 -0.164 4.132 1.00 0.00 C ATOM 830 CD PRO A 96 7.742 1.200 3.494 1.00 0.00 C ATOM 0 HA PRO A 96 10.744 0.843 4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.146 -1.463 4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.909 0.003 5.847 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.430 -0.933 3.382 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.784 -0.194 4.834 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.106 1.294 2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.454 1.995 4.182 1.00 0.00 H new ATOM 838 N ASP A 97 12.011 -0.996 3.553 1.00 0.00 N ATOM 839 CA ASP A 97 12.917 -1.953 2.871 1.00 0.00 C ATOM 840 C ASP A 97 12.339 -3.386 2.885 1.00 0.00 C ATOM 841 O ASP A 97 12.637 -4.203 2.004 1.00 0.00 O ATOM 842 CB ASP A 97 14.314 -1.900 3.552 1.00 0.00 C ATOM 843 CG ASP A 97 15.380 -2.762 2.853 1.00 0.00 C ATOM 844 OD1 ASP A 97 15.717 -2.467 1.682 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.882 -3.732 3.456 1.00 0.00 O ATOM 0 H ASP A 97 12.404 -0.603 4.408 1.00 0.00 H new ATOM 0 HA ASP A 97 13.017 -1.666 1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.656 -0.865 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.216 -2.229 4.587 1.00 0.00 H new ATOM 850 N THR A 98 11.489 -3.658 3.890 1.00 0.00 N ATOM 851 CA THR A 98 10.790 -4.940 4.066 1.00 0.00 C ATOM 852 C THR A 98 9.570 -5.088 3.124 1.00 0.00 C ATOM 853 O THR A 98 8.946 -6.161 3.077 1.00 0.00 O ATOM 854 CB THR A 98 10.343 -5.097 5.554 1.00 0.00 C ATOM 855 OG1 THR A 98 9.612 -3.928 5.974 1.00 0.00 O ATOM 856 CG2 THR A 98 11.550 -5.315 6.489 1.00 0.00 C ATOM 0 H THR A 98 11.265 -2.978 4.617 1.00 0.00 H new ATOM 0 HA THR A 98 11.492 -5.731 3.803 1.00 0.00 H new ATOM 0 HB THR A 98 9.702 -5.976 5.617 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.688 -4.178 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.200 -5.420 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 98 12.081 -6.219 6.192 1.00 0.00 H new ATOM 0 HG23 THR A 98 12.223 -4.460 6.420 1.00 0.00 H new ATOM 864 N PHE A 99 9.232 -4.005 2.392 1.00 0.00 N ATOM 865 CA PHE A 99 8.128 -4.001 1.415 1.00 0.00 C ATOM 866 C PHE A 99 8.502 -4.865 0.196 1.00 0.00 C ATOM 867 O PHE A 99 9.204 -4.411 -0.715 1.00 0.00 O ATOM 868 CB PHE A 99 7.759 -2.552 0.999 1.00 0.00 C ATOM 869 CG PHE A 99 6.640 -2.452 -0.040 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.325 -2.770 0.294 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.905 -2.041 -1.350 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.318 -2.680 -0.644 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.894 -1.955 -2.282 1.00 0.00 C ATOM 874 CZ PHE A 99 4.603 -2.276 -1.928 1.00 0.00 C ATOM 0 H PHE A 99 9.718 -3.111 2.463 1.00 0.00 H new ATOM 0 HA PHE A 99 7.243 -4.435 1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.461 -1.997 1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.649 -2.064 0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.092 -3.091 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.915 -1.788 -1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.303 -2.927 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.114 -1.636 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.812 -2.211 -2.660 1.00 0.00 H new ATOM 884 N LYS A 100 8.052 -6.123 0.228 1.00 0.00 N ATOM 885 CA LYS A 100 8.287 -7.114 -0.834 1.00 0.00 C ATOM 886 C LYS A 100 6.961 -7.424 -1.573 1.00 0.00 C ATOM 887 O LYS A 100 5.877 -7.200 -1.015 1.00 0.00 O ATOM 888 CB LYS A 100 8.891 -8.417 -0.214 1.00 0.00 C ATOM 889 CG LYS A 100 8.060 -9.024 0.935 1.00 0.00 C ATOM 890 CD LYS A 100 8.498 -10.451 1.327 1.00 0.00 C ATOM 891 CE LYS A 100 7.647 -11.027 2.474 1.00 0.00 C ATOM 892 NZ LYS A 100 7.918 -12.466 2.696 1.00 0.00 N ATOM 0 H LYS A 100 7.504 -6.491 1.006 1.00 0.00 H new ATOM 0 HA LYS A 100 8.996 -6.709 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.998 -9.163 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.893 -8.198 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.136 -8.377 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.010 -9.043 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.422 -11.104 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.546 -10.438 1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.852 -10.474 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.590 -10.888 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.983 -12.654 3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.146 -13.032 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.816 -12.725 2.239 1.00 0.00 H new ATOM 906 N PRO A 101 7.016 -7.930 -2.847 1.00 0.00 N ATOM 907 CA PRO A 101 5.812 -8.415 -3.558 1.00 0.00 C ATOM 908 C PRO A 101 5.271 -9.706 -2.900 1.00 0.00 C ATOM 909 O PRO A 101 5.948 -10.734 -2.906 1.00 0.00 O ATOM 910 CB PRO A 101 6.314 -8.664 -5.018 1.00 0.00 C ATOM 911 CG PRO A 101 7.652 -7.991 -5.097 1.00 0.00 C ATOM 912 CD PRO A 101 8.221 -8.050 -3.706 1.00 0.00 C ATOM 0 HA PRO A 101 4.981 -7.710 -3.529 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.397 -9.730 -5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.621 -8.248 -5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.304 -8.498 -5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 101 7.552 -6.960 -5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.753 -8.984 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.928 -7.241 -3.525 1.00 0.00 H new ATOM 920 N GLY A 102 4.077 -9.623 -2.285 1.00 0.00 N ATOM 921 CA GLY A 102 3.437 -10.786 -1.655 1.00 0.00 C ATOM 922 C GLY A 102 3.366 -10.704 -0.138 1.00 0.00 C ATOM 923 O GLY A 102 2.923 -11.665 0.502 1.00 0.00 O ATOM 0 H GLY A 102 3.538 -8.760 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.427 -10.891 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.985 -11.686 -1.935 1.00 0.00 H new ATOM 927 N VAL A 103 3.817 -9.581 0.459 1.00 0.00 N ATOM 928 CA VAL A 103 3.701 -9.368 1.921 1.00 0.00 C ATOM 929 C VAL A 103 2.327 -8.772 2.265 1.00 0.00 C ATOM 930 O VAL A 103 1.791 -7.958 1.512 1.00 0.00 O ATOM 931 CB VAL A 103 4.854 -8.450 2.486 1.00 0.00 C ATOM 932 CG1 VAL A 103 4.786 -7.003 1.944 1.00 0.00 C ATOM 933 CG2 VAL A 103 4.882 -8.470 4.036 1.00 0.00 C ATOM 0 H VAL A 103 4.262 -8.812 -0.042 1.00 0.00 H new ATOM 0 HA VAL A 103 3.802 -10.343 2.399 1.00 0.00 H new ATOM 0 HB VAL A 103 5.792 -8.873 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.603 -6.418 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.873 -7.017 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.834 -6.553 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.687 -7.828 4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.930 -8.107 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.049 -9.489 4.384 1.00 0.00 H new ATOM 943 N GLU A 104 1.744 -9.209 3.390 1.00 0.00 N ATOM 944 CA GLU A 104 0.530 -8.601 3.926 1.00 0.00 C ATOM 945 C GLU A 104 0.885 -7.250 4.560 1.00 0.00 C ATOM 946 O GLU A 104 1.590 -7.197 5.568 1.00 0.00 O ATOM 947 CB GLU A 104 -0.160 -9.532 4.949 1.00 0.00 C ATOM 948 CG GLU A 104 -0.548 -10.910 4.380 1.00 0.00 C ATOM 949 CD GLU A 104 -1.460 -11.702 5.323 1.00 0.00 C ATOM 950 OE1 GLU A 104 -0.955 -12.302 6.299 1.00 0.00 O ATOM 951 OE2 GLU A 104 -2.694 -11.705 5.116 1.00 0.00 O ATOM 0 H GLU A 104 2.101 -9.987 3.945 1.00 0.00 H new ATOM 0 HA GLU A 104 -0.178 -8.442 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.505 -9.676 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -1.057 -9.040 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.051 -10.775 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.356 -11.487 4.186 1.00 0.00 H new ATOM 958 N VAL A 105 0.440 -6.170 3.917 1.00 0.00 N ATOM 959 CA VAL A 105 0.655 -4.810 4.411 1.00 0.00 C ATOM 960 C VAL A 105 -0.638 -4.255 5.012 1.00 0.00 C ATOM 961 O VAL A 105 -1.753 -4.587 4.588 1.00 0.00 O ATOM 962 CB VAL A 105 1.195 -3.825 3.305 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.613 -4.223 2.837 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.226 -3.714 2.106 1.00 0.00 C ATOM 0 H VAL A 105 -0.079 -6.213 3.040 1.00 0.00 H new ATOM 0 HA VAL A 105 1.426 -4.879 5.178 1.00 0.00 H new ATOM 0 HB VAL A 105 1.258 -2.838 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.954 -3.523 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.297 -4.197 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.589 -5.230 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.638 -3.025 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.095 -4.696 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.739 -3.342 2.451 1.00 0.00 H new ATOM 974 N ILE A 106 -0.450 -3.412 6.019 1.00 0.00 N ATOM 975 CA ILE A 106 -1.506 -2.720 6.723 1.00 0.00 C ATOM 976 C ILE A 106 -1.385 -1.253 6.317 1.00 0.00 C ATOM 977 O ILE A 106 -0.422 -0.572 6.697 1.00 0.00 O ATOM 978 CB ILE A 106 -1.342 -2.895 8.283 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.285 -4.420 8.647 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.469 -2.160 9.054 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.058 -4.735 10.119 1.00 0.00 C ATOM 0 H ILE A 106 0.479 -3.188 6.376 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.488 -3.119 6.470 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.402 -2.437 8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.220 -4.885 8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.488 -4.884 8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.328 -2.300 10.126 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.436 -1.096 8.819 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.436 -2.567 8.760 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.036 -5.816 10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.108 -4.307 10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -1.867 -4.308 10.711 1.00 0.00 H new ATOM 993 N ILE A 107 -2.325 -0.802 5.488 1.00 0.00 N ATOM 994 CA ILE A 107 -2.343 0.564 4.954 1.00 0.00 C ATOM 995 C ILE A 107 -3.307 1.401 5.800 1.00 0.00 C ATOM 996 O ILE A 107 -4.320 0.881 6.282 1.00 0.00 O ATOM 997 CB ILE A 107 -2.777 0.584 3.432 1.00 0.00 C ATOM 998 CG1 ILE A 107 -4.260 0.113 3.251 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.823 -0.303 2.593 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.809 0.183 1.839 1.00 0.00 C ATOM 0 H ILE A 107 -3.103 -1.377 5.164 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.338 0.983 5.005 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.711 1.613 3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -4.339 -0.916 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.895 0.719 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.131 -0.282 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.805 0.076 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.861 -1.328 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.841 -0.167 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.772 1.213 1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -4.208 -0.447 1.183 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.976 2.674 6.006 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.836 3.600 6.748 1.00 0.00 C ATOM 1014 C GLU A 108 -3.710 4.996 6.134 1.00 0.00 C ATOM 1015 O GLU A 108 -2.613 5.425 5.783 1.00 0.00 O ATOM 1016 CB GLU A 108 -3.469 3.609 8.253 1.00 0.00 C ATOM 1017 CG GLU A 108 -4.426 4.442 9.123 1.00 0.00 C ATOM 1018 CD GLU A 108 -4.129 4.328 10.622 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -3.292 5.102 11.137 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -4.735 3.472 11.293 1.00 0.00 O ATOM 0 H GLU A 108 -2.110 3.093 5.667 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.873 3.272 6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.459 2.583 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.457 3.998 8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.361 5.488 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.450 4.120 8.936 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.854 5.680 6.023 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.979 6.948 5.327 1.00 0.00 C ATOM 1029 C GLY A 109 -6.428 7.132 4.913 1.00 0.00 C ATOM 1030 O GLY A 109 -7.300 7.121 5.773 1.00 0.00 O ATOM 0 H GLY A 109 -5.732 5.354 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.663 7.767 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.330 6.965 4.451 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.699 7.226 3.605 1.00 0.00 N ATOM 1035 CA GLY A 110 -8.066 7.346 3.111 1.00 0.00 C ATOM 1036 C GLY A 110 -8.148 7.208 1.608 1.00 0.00 C ATOM 1037 O GLY A 110 -7.276 7.692 0.887 1.00 0.00 O ATOM 0 H GLY A 110 -5.987 7.221 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.687 6.582 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.473 8.313 3.407 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.206 6.535 1.144 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.527 6.397 -0.283 1.00 0.00 C ATOM 1043 C LEU A 111 -10.382 7.595 -0.704 1.00 0.00 C ATOM 1044 O LEU A 111 -11.381 7.914 -0.037 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.294 5.062 -0.525 1.00 0.00 C ATOM 1046 CG LEU A 111 -10.799 4.784 -1.981 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -9.638 4.709 -2.990 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -11.659 3.499 -2.029 1.00 0.00 C ATOM 0 H LEU A 111 -9.873 6.064 1.756 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.613 6.375 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.643 4.239 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.156 5.041 0.142 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.424 5.627 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.034 4.515 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.097 5.655 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.960 3.904 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.998 3.326 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.063 2.649 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.523 3.615 -1.374 1.00 0.00 H new ATOM 1060 N ALA A 112 -9.983 8.267 -1.794 1.00 0.00 N ATOM 1061 CA ALA A 112 -10.707 9.429 -2.313 1.00 0.00 C ATOM 1062 C ALA A 112 -11.900 8.940 -3.163 1.00 0.00 C ATOM 1063 O ALA A 112 -11.719 8.049 -3.997 1.00 0.00 O ATOM 1064 CB ALA A 112 -9.759 10.324 -3.129 1.00 0.00 C ATOM 0 H ALA A 112 -9.154 8.020 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.091 10.029 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.309 11.185 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -8.944 10.667 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.351 9.755 -3.965 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.141 9.507 -2.961 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.390 8.981 -3.594 1.00 0.00 C ATOM 1072 C PRO A 113 -14.390 9.048 -5.144 1.00 0.00 C ATOM 1073 O PRO A 113 -15.182 8.365 -5.800 1.00 0.00 O ATOM 1074 CB PRO A 113 -15.504 9.871 -2.975 1.00 0.00 C ATOM 1075 CG PRO A 113 -14.802 11.131 -2.569 1.00 0.00 C ATOM 1076 CD PRO A 113 -13.434 10.689 -2.098 1.00 0.00 C ATOM 0 HA PRO A 113 -14.520 7.917 -3.399 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.296 10.074 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.970 9.384 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -14.725 11.826 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.344 11.646 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.690 11.476 -2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.438 10.424 -1.041 1.00 0.00 H new ATOM 1084 N GLY A 114 -13.508 9.886 -5.711 1.00 0.00 N ATOM 1085 CA GLY A 114 -13.338 9.978 -7.164 1.00 0.00 C ATOM 1086 C GLY A 114 -12.172 9.148 -7.673 1.00 0.00 C ATOM 1087 O GLY A 114 -12.206 8.631 -8.794 1.00 0.00 O ATOM 0 H GLY A 114 -12.901 10.511 -5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.254 9.649 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.185 11.021 -7.442 1.00 0.00 H new ATOM 1091 N GLU A 115 -11.128 9.019 -6.839 1.00 0.00 N ATOM 1092 CA GLU A 115 -9.856 8.389 -7.238 1.00 0.00 C ATOM 1093 C GLU A 115 -9.829 6.898 -6.863 1.00 0.00 C ATOM 1094 O GLU A 115 -10.231 6.514 -5.765 1.00 0.00 O ATOM 1095 CB GLU A 115 -8.639 9.138 -6.611 1.00 0.00 C ATOM 1096 CG GLU A 115 -8.296 10.513 -7.241 1.00 0.00 C ATOM 1097 CD GLU A 115 -9.405 11.571 -7.112 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -9.575 12.123 -6.008 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -10.114 11.855 -8.106 1.00 0.00 O ATOM 0 H GLU A 115 -11.140 9.346 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.779 8.463 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.835 9.285 -5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -7.762 8.495 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.390 10.897 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -8.072 10.368 -8.298 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.324 6.070 -7.796 1.00 0.00 N ATOM 1107 CA ASP A 116 -9.162 4.610 -7.607 1.00 0.00 C ATOM 1108 C ASP A 116 -8.079 4.320 -6.561 1.00 0.00 C ATOM 1109 O ASP A 116 -8.099 3.270 -5.901 1.00 0.00 O ATOM 1110 CB ASP A 116 -8.770 3.925 -8.950 1.00 0.00 C ATOM 1111 CG ASP A 116 -9.833 4.102 -10.047 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -9.985 5.233 -10.556 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -10.532 3.124 -10.390 1.00 0.00 O ATOM 0 H ASP A 116 -9.013 6.395 -8.712 1.00 0.00 H new ATOM 0 HA ASP A 116 -10.115 4.209 -7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -7.823 4.337 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -8.609 2.861 -8.776 1.00 0.00 H new ATOM 1118 N THR A 117 -7.132 5.262 -6.427 1.00 0.00 N ATOM 1119 CA THR A 117 -5.984 5.105 -5.548 1.00 0.00 C ATOM 1120 C THR A 117 -6.313 5.506 -4.094 1.00 0.00 C ATOM 1121 O THR A 117 -6.915 6.557 -3.847 1.00 0.00 O ATOM 1122 CB THR A 117 -4.748 5.904 -6.074 1.00 0.00 C ATOM 1123 OG1 THR A 117 -5.041 7.310 -6.098 1.00 0.00 O ATOM 1124 CG2 THR A 117 -4.331 5.449 -7.485 1.00 0.00 C ATOM 0 H THR A 117 -7.149 6.150 -6.929 1.00 0.00 H new ATOM 0 HA THR A 117 -5.729 4.045 -5.549 1.00 0.00 H new ATOM 0 HB THR A 117 -3.920 5.707 -5.392 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.260 7.801 -6.427 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.469 6.029 -7.814 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.070 4.391 -7.464 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.159 5.605 -8.177 1.00 0.00 H new ATOM 1132 N PHE A 118 -5.963 4.608 -3.155 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.005 4.862 -1.705 1.00 0.00 C ATOM 1134 C PHE A 118 -4.780 5.709 -1.319 1.00 0.00 C ATOM 1135 O PHE A 118 -3.641 5.286 -1.539 1.00 0.00 O ATOM 1136 CB PHE A 118 -5.990 3.501 -0.942 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.129 3.589 0.587 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.018 3.808 1.407 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.369 3.425 1.206 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -5.148 3.874 2.782 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.495 3.491 2.580 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.383 3.710 3.367 1.00 0.00 C ATOM 0 H PHE A 118 -5.638 3.670 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.914 5.401 -1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -6.800 2.882 -1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.058 2.986 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.042 3.928 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.245 3.243 0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -4.279 4.054 3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.465 3.371 3.039 1.00 0.00 H new ATOM 0 HZ PHE A 118 -6.482 3.753 4.442 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.017 6.900 -0.756 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.951 7.759 -0.221 1.00 0.00 C ATOM 1154 C LYS A 119 -3.483 7.175 1.126 1.00 0.00 C ATOM 1155 O LYS A 119 -4.112 7.407 2.159 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.469 9.221 -0.054 1.00 0.00 C ATOM 1157 CG LYS A 119 -3.462 10.218 0.571 1.00 0.00 C ATOM 1158 CD LYS A 119 -4.064 11.632 0.731 1.00 0.00 C ATOM 1159 CE LYS A 119 -3.126 12.607 1.464 1.00 0.00 C ATOM 1160 NZ LYS A 119 -1.849 12.813 0.746 1.00 0.00 N ATOM 0 H LYS A 119 -5.952 7.296 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.108 7.788 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.765 9.597 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.366 9.202 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.144 9.848 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.571 10.273 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.299 12.034 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.004 11.561 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.629 13.566 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.919 12.225 2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.260 13.490 1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.346 11.906 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.042 13.187 -0.205 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.415 6.360 1.087 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.847 5.721 2.279 1.00 0.00 C ATOM 1176 C ALA A 120 -0.859 6.671 2.967 1.00 0.00 C ATOM 1177 O ALA A 120 0.208 6.979 2.418 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.168 4.392 1.904 1.00 0.00 C ATOM 0 H ALA A 120 -1.923 6.127 0.224 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.652 5.500 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.752 3.931 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.902 3.721 1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.368 4.581 1.188 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.267 7.170 4.140 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.408 7.954 5.037 1.00 0.00 C ATOM 1186 C ARG A 121 0.779 7.094 5.512 1.00 0.00 C ATOM 1187 O ARG A 121 1.923 7.558 5.537 1.00 0.00 O ATOM 1188 CB ARG A 121 -1.247 8.451 6.252 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.485 9.324 7.281 1.00 0.00 C ATOM 1190 CD ARG A 121 0.057 10.631 6.671 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.015 11.457 6.088 1.00 0.00 N ATOM 1192 CZ ARG A 121 -0.837 12.416 5.165 1.00 0.00 C ATOM 1193 NH1 ARG A 121 0.358 12.639 4.635 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -1.881 13.121 4.745 1.00 0.00 N ATOM 0 H ARG A 121 -2.213 7.040 4.497 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.013 8.818 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.095 9.023 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.653 7.582 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.150 9.564 8.110 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.344 8.750 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.576 11.202 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.791 10.394 5.901 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.967 11.287 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.158 12.078 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.477 13.371 3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.809 12.932 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.755 13.851 4.044 1.00 0.00 H new ATOM 1208 N THR A 122 0.490 5.821 5.854 1.00 0.00 N ATOM 1209 CA THR A 122 1.476 4.874 6.401 1.00 0.00 C ATOM 1210 C THR A 122 1.342 3.502 5.703 1.00 0.00 C ATOM 1211 O THR A 122 0.303 3.202 5.090 1.00 0.00 O ATOM 1212 CB THR A 122 1.306 4.702 7.946 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.049 4.325 8.248 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.678 5.984 8.724 1.00 0.00 C ATOM 0 H THR A 122 -0.443 5.421 5.756 1.00 0.00 H new ATOM 0 HA THR A 122 2.469 5.281 6.212 1.00 0.00 H new ATOM 0 HB THR A 122 1.992 3.917 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.150 4.217 9.217 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.543 5.813 9.792 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.719 6.241 8.526 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.035 6.804 8.403 1.00 0.00 H new ATOM 1222 N LEU A 123 2.398 2.673 5.833 1.00 0.00 N ATOM 1223 CA LEU A 123 2.505 1.351 5.183 1.00 0.00 C ATOM 1224 C LEU A 123 3.375 0.429 6.065 1.00 0.00 C ATOM 1225 O LEU A 123 4.578 0.681 6.209 1.00 0.00 O ATOM 1226 CB LEU A 123 3.156 1.506 3.783 1.00 0.00 C ATOM 1227 CG LEU A 123 3.262 0.215 2.917 1.00 0.00 C ATOM 1228 CD1 LEU A 123 1.870 -0.263 2.482 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.199 0.427 1.707 1.00 0.00 C ATOM 0 H LEU A 123 3.212 2.907 6.401 1.00 0.00 H new ATOM 0 HA LEU A 123 1.512 0.917 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.586 2.247 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.159 1.910 3.917 1.00 0.00 H new ATOM 0 HG LEU A 123 3.704 -0.570 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.967 -1.165 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.268 -0.480 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.385 0.516 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.252 -0.492 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.811 1.232 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.196 0.690 2.061 1.00 0.00 H new ATOM 1241 N MET A 124 2.771 -0.606 6.675 1.00 0.00 N ATOM 1242 CA MET A 124 3.499 -1.539 7.568 1.00 0.00 C ATOM 1243 C MET A 124 3.332 -2.991 7.098 1.00 0.00 C ATOM 1244 O MET A 124 2.229 -3.528 7.101 1.00 0.00 O ATOM 1245 CB MET A 124 3.014 -1.392 9.038 1.00 0.00 C ATOM 1246 CG MET A 124 3.778 -2.275 10.051 1.00 0.00 C ATOM 1247 SD MET A 124 3.247 -2.043 11.764 1.00 0.00 S ATOM 1248 CE MET A 124 1.568 -2.671 11.746 1.00 0.00 C ATOM 0 H MET A 124 1.780 -0.822 6.569 1.00 0.00 H new ATOM 0 HA MET A 124 4.557 -1.281 7.525 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.111 -0.349 9.338 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.954 -1.640 9.085 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.647 -3.322 9.778 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.844 -2.058 9.978 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.111 -2.517 12.724 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.990 -2.142 10.988 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.580 -3.736 11.515 1.00 0.00 H new ATOM 1258 N THR A 125 4.454 -3.599 6.709 1.00 0.00 N ATOM 1259 CA THR A 125 4.532 -5.002 6.282 1.00 0.00 C ATOM 1260 C THR A 125 4.417 -5.949 7.496 1.00 0.00 C ATOM 1261 O THR A 125 4.817 -5.587 8.610 1.00 0.00 O ATOM 1262 CB THR A 125 5.891 -5.244 5.546 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.990 -5.049 6.449 1.00 0.00 O ATOM 1264 CG2 THR A 125 6.061 -4.297 4.342 1.00 0.00 C ATOM 0 H THR A 125 5.355 -3.121 6.681 1.00 0.00 H new ATOM 0 HA THR A 125 3.704 -5.211 5.604 1.00 0.00 H new ATOM 0 HB THR A 125 5.883 -6.272 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.596 -5.818 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 125 7.016 -4.495 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.251 -4.463 3.632 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.036 -3.263 4.686 1.00 0.00 H new ATOM 1272 N LYS A 126 3.872 -7.153 7.280 1.00 0.00 N ATOM 1273 CA LYS A 126 3.749 -8.171 8.334 1.00 0.00 C ATOM 1274 C LYS A 126 4.994 -9.071 8.345 1.00 0.00 C ATOM 1275 O LYS A 126 5.742 -9.080 9.326 1.00 0.00 O ATOM 1276 CB LYS A 126 2.463 -9.005 8.127 1.00 0.00 C ATOM 1277 CG LYS A 126 2.229 -10.093 9.200 1.00 0.00 C ATOM 1278 CD LYS A 126 0.936 -10.892 8.962 1.00 0.00 C ATOM 1279 CE LYS A 126 -0.322 -10.013 9.035 1.00 0.00 C ATOM 1280 NZ LYS A 126 -1.555 -10.801 8.829 1.00 0.00 N ATOM 0 H LYS A 126 3.505 -7.449 6.375 1.00 0.00 H new ATOM 0 HA LYS A 126 3.677 -7.674 9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 126 1.606 -8.332 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.507 -9.481 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 126 3.078 -10.777 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.186 -9.625 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.984 -11.371 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 126 0.863 -11.687 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.364 -9.519 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.262 -9.229 8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.369 -10.158 8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.469 -11.359 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.697 -11.441 9.636 1.00 0.00 H new ATOM 1294 N CYS A 127 5.208 -9.816 7.241 1.00 0.00 N ATOM 1295 CA CYS A 127 6.355 -10.737 7.102 1.00 0.00 C ATOM 1296 C CYS A 127 7.673 -9.944 6.930 1.00 0.00 C ATOM 1297 O CYS A 127 7.838 -9.243 5.923 1.00 0.00 O ATOM 1298 CB CYS A 127 6.139 -11.697 5.911 1.00 0.00 C ATOM 1299 SG CYS A 127 7.483 -12.878 5.644 1.00 0.00 S ATOM 0 H CYS A 127 4.595 -9.797 6.426 1.00 0.00 H new ATOM 0 HA CYS A 127 6.430 -11.331 8.013 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.213 -12.250 6.070 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.006 -11.106 5.005 1.00 0.00 H new ATOM 0 HG CYS A 127 7.004 -13.970 5.126 1.00 0.00 H new ATOM 1305 N PRO A 128 8.623 -10.029 7.924 1.00 0.00 N ATOM 1306 CA PRO A 128 9.928 -9.327 7.857 1.00 0.00 C ATOM 1307 C PRO A 128 10.849 -9.922 6.764 1.00 0.00 C ATOM 1308 O PRO A 128 10.966 -11.151 6.638 1.00 0.00 O ATOM 1309 CB PRO A 128 10.521 -9.508 9.291 1.00 0.00 C ATOM 1310 CG PRO A 128 9.376 -9.994 10.129 1.00 0.00 C ATOM 1311 CD PRO A 128 8.509 -10.797 9.195 1.00 0.00 C ATOM 0 HA PRO A 128 9.826 -8.278 7.580 1.00 0.00 H new ATOM 0 HB2 PRO A 128 11.342 -10.225 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 128 10.919 -8.569 9.674 1.00 0.00 H new ATOM 0 HG2 PRO A 128 9.729 -10.605 10.960 1.00 0.00 H new ATOM 0 HG3 PRO A 128 8.822 -9.160 10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 128 8.867 -11.821 9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 128 7.478 -10.855 9.545 1.00 0.00 H new ATOM 1319 N LEU A 129 11.487 -9.040 5.981 1.00 0.00 N ATOM 1320 CA LEU A 129 12.339 -9.420 4.840 1.00 0.00 C ATOM 1321 C LEU A 129 13.822 -9.292 5.240 1.00 0.00 C ATOM 1322 O LEU A 129 14.220 -8.297 5.859 1.00 0.00 O ATOM 1323 CB LEU A 129 11.990 -8.519 3.619 1.00 0.00 C ATOM 1324 CG LEU A 129 12.763 -8.790 2.287 1.00 0.00 C ATOM 1325 CD1 LEU A 129 12.525 -10.223 1.763 1.00 0.00 C ATOM 1326 CD2 LEU A 129 12.403 -7.735 1.213 1.00 0.00 C ATOM 0 H LEU A 129 11.427 -8.032 6.122 1.00 0.00 H new ATOM 0 HA LEU A 129 12.159 -10.457 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 129 10.924 -8.621 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.162 -7.481 3.905 1.00 0.00 H new ATOM 0 HG LEU A 129 13.827 -8.702 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.080 -10.368 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.865 -10.944 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.461 -10.370 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.954 -7.946 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.333 -7.773 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.668 -6.742 1.575 1.00 0.00 H new ATOM 1338 N GLU A 130 14.626 -10.305 4.876 1.00 0.00 N ATOM 1339 CA GLU A 130 16.054 -10.403 5.226 1.00 0.00 C ATOM 1340 C GLU A 130 16.823 -11.132 4.090 1.00 0.00 C ATOM 1341 O GLU A 130 17.691 -10.508 3.442 1.00 0.00 O ATOM 1342 CB GLU A 130 16.242 -11.124 6.605 1.00 0.00 C ATOM 1343 CG GLU A 130 15.384 -12.397 6.800 1.00 0.00 C ATOM 1344 CD GLU A 130 15.726 -13.177 8.080 1.00 0.00 C ATOM 1345 OE1 GLU A 130 15.528 -12.636 9.187 1.00 0.00 O ATOM 1346 OE2 GLU A 130 16.216 -14.324 7.986 1.00 0.00 O ATOM 0 H GLU A 130 14.296 -11.094 4.320 1.00 0.00 H new ATOM 0 HA GLU A 130 16.466 -9.399 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 130 17.293 -11.391 6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 130 16.005 -10.419 7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 130 14.331 -12.116 6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 130 15.518 -13.051 5.939 1.00 0.00 H new TER 1353 GLU A 130