USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 89 ASN : amide:sc= 0 X(o=0,f=0.037) USER MOD Set 1.2: A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 62 HIS : no HE2:sc= -7.85! C(o=-7.9!,f=-11!) USER MOD Set 2.2: A 102 GLN : amide:sc= -0.0305 X(o=-7.9,f=-8) USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 38 SER OG : rot -30:sc= 0.0252! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -144:sc= -1.5 (180deg=-3.67!) USER MOD Single : A 17 LYS NZ :NH3+ -139:sc= 1.2 (180deg=-0.87) USER MOD Single : A 18 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.64! C(o=-3.6!,f=-4.4!) USER MOD Single : A 21 SER OG : rot -51:sc= -1.34! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.821 USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -4.37! (180deg=-4.65!) USER MOD Single : A 36 ASN :FLIP amide:sc= -2.37 F(o=-4.8,f=-2.4) USER MOD Single : A 41 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.82 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.761 K(o=-0.76,f=-2.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.1) USER MOD Single : A 74 SER OG : rot -11:sc= 0.311 USER MOD Single : A 79 THR OG1 : rot 170:sc= -0.18 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.51 F(o=-4.6!,f=-1.5) USER MOD Single : A 81 LYS NZ :NH3+ -121:sc= 0.513 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -5.56! C(o=-7!,f=-5.6!) USER MOD Single : A 86 THR OG1 : rot -82:sc= -3.94! USER MOD Single : A 90 THR OG1 : rot -87:sc= -0.3 USER MOD Single : A 95 HIS : no HD1:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= -4.67! (180deg=-7.38!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -100:sc= -0.174 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 156:sc= -1.22 (180deg=-2.56!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.681 -7.786 -17.974 1.00 0.00 N ATOM 2 CA GLY A 1 14.044 -8.113 -17.475 1.00 0.00 C ATOM 3 C GLY A 1 14.583 -7.059 -16.526 1.00 0.00 C ATOM 4 O GLY A 1 14.958 -7.367 -15.394 1.00 0.00 O ATOM 0 H1 GLY A 1 12.358 -8.536 -18.618 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.025 -7.714 -17.170 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.706 -6.880 -18.483 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.020 -9.077 -16.967 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.723 -8.216 -18.322 1.00 0.00 H new ATOM 10 N SER A 2 14.622 -5.814 -16.988 1.00 0.00 N ATOM 11 CA SER A 2 15.119 -4.712 -16.173 1.00 0.00 C ATOM 12 C SER A 2 13.966 -3.876 -15.628 1.00 0.00 C ATOM 13 O SER A 2 13.543 -2.901 -16.250 1.00 0.00 O ATOM 14 CB SER A 2 16.061 -3.828 -16.993 1.00 0.00 C ATOM 15 OG SER A 2 16.621 -2.801 -16.195 1.00 0.00 O ATOM 0 H SER A 2 14.315 -5.543 -17.922 1.00 0.00 H new ATOM 0 HA SER A 2 15.668 -5.134 -15.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.858 -4.438 -17.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.516 -3.388 -17.828 1.00 0.00 H new ATOM 0 HG SER A 2 17.220 -2.251 -16.742 1.00 0.00 H new ATOM 21 N SER A 3 13.460 -4.263 -14.461 1.00 0.00 N ATOM 22 CA SER A 3 12.356 -3.550 -13.831 1.00 0.00 C ATOM 23 C SER A 3 12.027 -4.152 -12.467 1.00 0.00 C ATOM 24 O SER A 3 11.186 -5.045 -12.362 1.00 0.00 O ATOM 25 CB SER A 3 11.118 -3.588 -14.729 1.00 0.00 C ATOM 26 OG SER A 3 10.146 -2.650 -14.301 1.00 0.00 O ATOM 0 H SER A 3 13.798 -5.067 -13.933 1.00 0.00 H new ATOM 0 HA SER A 3 12.661 -2.513 -13.687 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.405 -3.374 -15.758 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.689 -4.590 -14.720 1.00 0.00 H new ATOM 0 HG SER A 3 9.366 -2.694 -14.893 1.00 0.00 H new ATOM 32 N PRO A 4 12.687 -3.668 -11.400 1.00 0.00 N ATOM 33 CA PRO A 4 12.459 -4.162 -10.037 1.00 0.00 C ATOM 34 C PRO A 4 10.975 -4.234 -9.684 1.00 0.00 C ATOM 35 O PRO A 4 10.340 -3.210 -9.433 1.00 0.00 O ATOM 36 CB PRO A 4 13.166 -3.123 -9.166 1.00 0.00 C ATOM 37 CG PRO A 4 14.246 -2.578 -10.034 1.00 0.00 C ATOM 38 CD PRO A 4 13.705 -2.600 -11.438 1.00 0.00 C ATOM 0 HA PRO A 4 12.830 -5.178 -9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.479 -2.339 -8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.574 -3.575 -8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.512 -1.564 -9.735 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.151 -3.181 -9.956 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.269 -1.640 -11.715 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.487 -2.817 -12.166 1.00 0.00 H new ATOM 46 N PRO A 5 10.399 -5.451 -9.660 1.00 0.00 N ATOM 47 CA PRO A 5 8.984 -5.645 -9.337 1.00 0.00 C ATOM 48 C PRO A 5 8.708 -5.532 -7.840 1.00 0.00 C ATOM 49 O PRO A 5 8.211 -6.471 -7.217 1.00 0.00 O ATOM 50 CB PRO A 5 8.711 -7.066 -9.825 1.00 0.00 C ATOM 51 CG PRO A 5 10.019 -7.766 -9.685 1.00 0.00 C ATOM 52 CD PRO A 5 11.080 -6.729 -9.947 1.00 0.00 C ATOM 0 HA PRO A 5 8.350 -4.888 -9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.937 -7.549 -9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.367 -7.071 -10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.128 -8.191 -8.687 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.097 -8.591 -10.393 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.948 -6.873 -9.304 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.435 -6.771 -10.977 1.00 0.00 H new ATOM 60 N LYS A 6 9.031 -4.377 -7.267 1.00 0.00 N ATOM 61 CA LYS A 6 8.814 -4.144 -5.843 1.00 0.00 C ATOM 62 C LYS A 6 8.013 -2.892 -5.610 1.00 0.00 C ATOM 63 O LYS A 6 7.930 -2.016 -6.470 1.00 0.00 O ATOM 64 CB LYS A 6 10.146 -4.077 -5.093 1.00 0.00 C ATOM 65 CG LYS A 6 11.177 -3.181 -5.763 1.00 0.00 C ATOM 66 CD LYS A 6 12.406 -2.997 -4.889 1.00 0.00 C ATOM 67 CE LYS A 6 13.520 -3.952 -5.285 1.00 0.00 C ATOM 68 NZ LYS A 6 14.528 -3.297 -6.163 1.00 0.00 N ATOM 0 H LYS A 6 9.443 -3.589 -7.766 1.00 0.00 H new ATOM 0 HA LYS A 6 8.242 -4.986 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.966 -3.716 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.555 -5.084 -5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.471 -3.614 -6.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.732 -2.209 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.761 -1.969 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.139 -3.161 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.011 -4.329 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.094 -4.813 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.872 -3.981 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.091 -2.489 -6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.326 -2.963 -5.586 1.00 0.00 H new ATOM 82 N PRO A 7 7.374 -2.813 -4.440 1.00 0.00 N ATOM 83 CA PRO A 7 6.537 -1.685 -4.105 1.00 0.00 C ATOM 84 C PRO A 7 7.311 -0.372 -4.057 1.00 0.00 C ATOM 85 O PRO A 7 8.476 -0.310 -4.452 1.00 0.00 O ATOM 86 CB PRO A 7 5.956 -2.031 -2.728 1.00 0.00 C ATOM 87 CG PRO A 7 6.165 -3.499 -2.571 1.00 0.00 C ATOM 88 CD PRO A 7 7.387 -3.833 -3.375 1.00 0.00 C ATOM 0 HA PRO A 7 5.768 -1.527 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.460 -1.475 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.898 -1.776 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.304 -3.763 -1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.299 -4.056 -2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.294 -3.776 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.338 -4.843 -3.783 1.00 0.00 H new ATOM 96 N GLY A 8 6.648 0.677 -3.587 1.00 0.00 N ATOM 97 CA GLY A 8 7.274 1.984 -3.515 1.00 0.00 C ATOM 98 C GLY A 8 6.826 2.866 -4.658 1.00 0.00 C ATOM 99 O GLY A 8 7.532 3.790 -5.062 1.00 0.00 O ATOM 0 H GLY A 8 5.685 0.646 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.024 2.458 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.358 1.873 -3.540 1.00 0.00 H new ATOM 103 N ASP A 9 5.650 2.552 -5.197 1.00 0.00 N ATOM 104 CA ASP A 9 5.078 3.266 -6.315 1.00 0.00 C ATOM 105 C ASP A 9 3.852 2.512 -6.750 1.00 0.00 C ATOM 106 O ASP A 9 3.097 2.002 -5.921 1.00 0.00 O ATOM 107 CB ASP A 9 6.089 3.361 -7.448 1.00 0.00 C ATOM 108 CG ASP A 9 6.228 4.770 -7.990 1.00 0.00 C ATOM 109 OD1 ASP A 9 6.854 5.610 -7.309 1.00 0.00 O ATOM 110 OD2 ASP A 9 5.709 5.035 -9.094 1.00 0.00 O ATOM 0 H ASP A 9 5.068 1.785 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 9 4.811 4.284 -6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.060 3.015 -7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.788 2.693 -8.255 1.00 0.00 H new ATOM 115 N ILE A 10 3.657 2.425 -8.032 1.00 0.00 N ATOM 116 CA ILE A 10 2.526 1.713 -8.547 1.00 0.00 C ATOM 117 C ILE A 10 2.816 0.208 -8.520 1.00 0.00 C ATOM 118 O ILE A 10 3.502 -0.345 -9.379 1.00 0.00 O ATOM 119 CB ILE A 10 2.243 2.214 -9.978 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.745 2.175 -10.281 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.036 1.440 -11.025 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.104 0.833 -9.994 1.00 0.00 C ATOM 0 H ILE A 10 4.265 2.837 -8.739 1.00 0.00 H new ATOM 0 HA ILE A 10 1.642 1.891 -7.935 1.00 0.00 H new ATOM 0 HB ILE A 10 2.577 3.250 -10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.243 2.942 -9.691 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.588 2.427 -11.330 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.804 1.828 -12.017 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.103 1.554 -10.831 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.769 0.384 -10.977 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.959 0.879 -10.232 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.580 0.065 -10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.229 0.588 -8.939 1.00 0.00 H new ATOM 134 N PHE A 11 2.275 -0.440 -7.497 1.00 0.00 N ATOM 135 CA PHE A 11 2.434 -1.874 -7.295 1.00 0.00 C ATOM 136 C PHE A 11 1.071 -2.562 -7.327 1.00 0.00 C ATOM 137 O PHE A 11 0.093 -1.988 -6.873 1.00 0.00 O ATOM 138 CB PHE A 11 3.173 -2.116 -5.970 1.00 0.00 C ATOM 139 CG PHE A 11 2.957 -3.462 -5.369 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.284 -4.608 -6.069 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.437 -3.576 -4.096 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.091 -5.847 -5.506 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.241 -4.811 -3.528 1.00 0.00 C ATOM 144 CZ PHE A 11 2.568 -5.947 -4.235 1.00 0.00 C ATOM 0 H PHE A 11 1.711 0.017 -6.780 1.00 0.00 H new ATOM 0 HA PHE A 11 3.030 -2.305 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.241 -1.975 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.859 -1.359 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.694 -4.529 -7.065 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.182 -2.685 -3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.348 -6.739 -6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.832 -4.891 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.414 -6.920 -3.792 1.00 0.00 H new ATOM 154 N GLU A 12 0.997 -3.790 -7.827 1.00 0.00 N ATOM 155 CA GLU A 12 -0.266 -4.503 -7.865 1.00 0.00 C ATOM 156 C GLU A 12 -0.191 -5.762 -7.008 1.00 0.00 C ATOM 157 O GLU A 12 0.893 -6.319 -6.849 1.00 0.00 O ATOM 158 CB GLU A 12 -0.689 -4.816 -9.308 1.00 0.00 C ATOM 159 CG GLU A 12 -0.739 -6.301 -9.648 1.00 0.00 C ATOM 160 CD GLU A 12 -0.834 -6.554 -11.139 1.00 0.00 C ATOM 161 OE1 GLU A 12 0.216 -6.522 -11.814 1.00 0.00 O ATOM 162 OE2 GLU A 12 -1.959 -6.785 -11.632 1.00 0.00 O ATOM 0 H GLU A 12 1.791 -4.305 -8.207 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.038 -3.859 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.673 -4.383 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.004 -4.324 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.153 -6.790 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.596 -6.755 -9.151 1.00 0.00 H new ATOM 169 N VAL A 13 -1.318 -6.228 -6.432 1.00 0.00 N ATOM 170 CA VAL A 13 -1.246 -7.402 -5.606 1.00 0.00 C ATOM 171 C VAL A 13 -2.216 -8.449 -6.090 1.00 0.00 C ATOM 172 O VAL A 13 -3.433 -8.286 -6.004 1.00 0.00 O ATOM 173 CB VAL A 13 -1.539 -7.037 -4.137 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.066 -5.622 -3.832 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.017 -7.180 -3.812 1.00 0.00 C ATOM 0 H VAL A 13 -2.245 -5.813 -6.530 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.238 -7.811 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.988 -7.736 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.282 -5.383 -2.791 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.008 -5.552 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.585 -4.917 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.187 -6.915 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.597 -6.517 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.328 -8.211 -3.980 1.00 0.00 H new ATOM 185 N GLU A 14 -1.675 -9.519 -6.626 1.00 0.00 N ATOM 186 CA GLU A 14 -2.496 -10.570 -7.130 1.00 0.00 C ATOM 187 C GLU A 14 -2.320 -11.887 -6.376 1.00 0.00 C ATOM 188 O GLU A 14 -1.216 -12.420 -6.284 1.00 0.00 O ATOM 189 CB GLU A 14 -2.168 -10.818 -8.566 1.00 0.00 C ATOM 190 CG GLU A 14 -0.798 -11.430 -8.783 1.00 0.00 C ATOM 191 CD GLU A 14 -0.354 -11.375 -10.232 1.00 0.00 C ATOM 192 OE1 GLU A 14 0.131 -10.308 -10.664 1.00 0.00 O ATOM 193 OE2 GLU A 14 -0.491 -12.398 -10.935 1.00 0.00 O ATOM 0 H GLU A 14 -0.671 -9.675 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.527 -10.241 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.923 -11.479 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.225 -9.875 -9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.069 -10.907 -8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.812 -12.468 -8.451 1.00 0.00 H new ATOM 200 N LEU A 15 -3.426 -12.427 -5.933 1.00 0.00 N ATOM 201 CA LEU A 15 -3.485 -13.726 -5.262 1.00 0.00 C ATOM 202 C LEU A 15 -4.765 -14.440 -5.653 1.00 0.00 C ATOM 203 O LEU A 15 -5.802 -13.807 -5.851 1.00 0.00 O ATOM 204 CB LEU A 15 -3.403 -13.607 -3.735 1.00 0.00 C ATOM 205 CG LEU A 15 -2.096 -14.134 -3.159 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.004 -15.644 -3.329 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.947 -13.434 -3.854 1.00 0.00 C ATOM 0 H LEU A 15 -4.337 -11.977 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.616 -14.299 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.521 -12.561 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.235 -14.153 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.052 -13.927 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.063 -16.001 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.835 -16.120 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.048 -15.894 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.002 -13.800 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.990 -13.638 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.020 -12.360 -3.686 1.00 0.00 H new ATOM 219 N ALA A 16 -4.695 -15.756 -5.751 1.00 0.00 N ATOM 220 CA ALA A 16 -5.849 -16.545 -6.101 1.00 0.00 C ATOM 221 C ALA A 16 -6.313 -17.270 -4.868 1.00 0.00 C ATOM 222 O ALA A 16 -5.524 -17.979 -4.249 1.00 0.00 O ATOM 223 CB ALA A 16 -5.487 -17.523 -7.201 1.00 0.00 C ATOM 0 H ALA A 16 -3.845 -16.297 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.652 -15.908 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.363 -18.117 -7.462 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.146 -16.974 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.691 -18.182 -6.854 1.00 0.00 H new ATOM 229 N LYS A 17 -7.572 -17.076 -4.481 1.00 0.00 N ATOM 230 CA LYS A 17 -8.070 -17.730 -3.272 1.00 0.00 C ATOM 231 C LYS A 17 -7.553 -19.155 -3.191 1.00 0.00 C ATOM 232 O LYS A 17 -8.158 -20.086 -3.721 1.00 0.00 O ATOM 233 CB LYS A 17 -9.589 -17.736 -3.185 1.00 0.00 C ATOM 234 CG LYS A 17 -10.084 -18.503 -1.973 1.00 0.00 C ATOM 235 CD LYS A 17 -10.915 -19.713 -2.372 1.00 0.00 C ATOM 236 CE LYS A 17 -10.650 -20.896 -1.455 1.00 0.00 C ATOM 237 NZ LYS A 17 -9.280 -21.449 -1.644 1.00 0.00 N ATOM 0 H LYS A 17 -8.249 -16.490 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.697 -17.148 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.954 -16.710 -3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.003 -18.181 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.232 -18.828 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.681 -17.843 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.974 -19.456 -2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.686 -19.990 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.777 -20.587 -0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.386 -21.676 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.319 -22.488 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.903 -21.137 -2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.660 -21.109 -0.882 1.00 0.00 H new ATOM 251 N ASN A 18 -6.413 -19.302 -2.544 1.00 0.00 N ATOM 252 CA ASN A 18 -5.782 -20.617 -2.413 1.00 0.00 C ATOM 253 C ASN A 18 -5.288 -20.873 -0.995 1.00 0.00 C ATOM 254 O ASN A 18 -5.700 -21.834 -0.347 1.00 0.00 O ATOM 255 CB ASN A 18 -4.617 -20.742 -3.396 1.00 0.00 C ATOM 256 CG ASN A 18 -4.268 -22.186 -3.699 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.616 -22.712 -4.755 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.576 -22.835 -2.770 1.00 0.00 N ATOM 0 H ASN A 18 -5.902 -18.538 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.539 -21.366 -2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.872 -20.230 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.742 -20.238 -2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.312 -23.809 -2.918 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.308 -22.359 -1.908 1.00 0.00 H new ATOM 265 N ASP A 19 -4.417 -19.999 -0.517 1.00 0.00 N ATOM 266 CA ASP A 19 -3.876 -20.115 0.831 1.00 0.00 C ATOM 267 C ASP A 19 -4.210 -18.856 1.585 1.00 0.00 C ATOM 268 O ASP A 19 -4.561 -18.874 2.764 1.00 0.00 O ATOM 269 CB ASP A 19 -2.363 -20.339 0.797 1.00 0.00 C ATOM 270 CG ASP A 19 -1.996 -21.809 0.831 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.737 -22.592 1.461 1.00 0.00 O ATOM 272 OD2 ASP A 19 -0.966 -22.178 0.226 1.00 0.00 O ATOM 0 H ASP A 19 -4.067 -19.198 -1.043 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.319 -20.977 1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.951 -19.885 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.904 -19.833 1.646 1.00 0.00 H new ATOM 277 N ASN A 20 -4.140 -17.779 0.844 1.00 0.00 N ATOM 278 CA ASN A 20 -4.463 -16.467 1.324 1.00 0.00 C ATOM 279 C ASN A 20 -4.582 -15.557 0.131 1.00 0.00 C ATOM 280 O ASN A 20 -4.021 -15.841 -0.928 1.00 0.00 O ATOM 281 CB ASN A 20 -3.413 -15.928 2.292 1.00 0.00 C ATOM 282 CG ASN A 20 -3.437 -16.633 3.634 1.00 0.00 C ATOM 283 OD1 ASN A 20 -4.490 -16.771 4.257 1.00 0.00 O ATOM 284 ND2 ASN A 20 -2.273 -17.085 4.087 1.00 0.00 N ATOM 0 H ASN A 20 -3.849 -17.795 -0.134 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.400 -16.515 1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.424 -16.037 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.578 -14.861 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.228 -17.568 4.984 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.424 -16.949 3.538 1.00 0.00 H new ATOM 291 N SER A 21 -5.312 -14.480 0.278 1.00 0.00 N ATOM 292 CA SER A 21 -5.484 -13.568 -0.827 1.00 0.00 C ATOM 293 C SER A 21 -6.109 -12.292 -0.300 1.00 0.00 C ATOM 294 O SER A 21 -6.947 -11.657 -0.940 1.00 0.00 O ATOM 295 CB SER A 21 -6.351 -14.242 -1.903 1.00 0.00 C ATOM 296 OG SER A 21 -6.277 -13.543 -3.135 1.00 0.00 O ATOM 0 H SER A 21 -5.791 -14.215 1.139 1.00 0.00 H new ATOM 0 HA SER A 21 -4.529 -13.314 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.022 -15.271 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.387 -14.282 -1.566 1.00 0.00 H new ATOM 0 HG SER A 21 -6.450 -12.591 -2.982 1.00 0.00 H new ATOM 302 N LEU A 22 -5.689 -11.965 0.916 1.00 0.00 N ATOM 303 CA LEU A 22 -6.170 -10.817 1.655 1.00 0.00 C ATOM 304 C LEU A 22 -5.732 -10.970 3.100 1.00 0.00 C ATOM 305 O LEU A 22 -5.170 -11.993 3.466 1.00 0.00 O ATOM 306 CB LEU A 22 -7.678 -10.820 1.714 1.00 0.00 C ATOM 307 CG LEU A 22 -8.138 -11.458 3.020 1.00 0.00 C ATOM 308 CD1 LEU A 22 -9.047 -10.515 3.796 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.820 -12.794 2.768 1.00 0.00 C ATOM 0 H LEU A 22 -4.988 -12.507 1.422 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.790 -9.917 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.057 -9.800 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.084 -11.371 0.866 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.254 -11.648 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.361 -10.994 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.507 -9.597 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.925 -10.278 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.137 -13.225 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.690 -12.644 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.122 -13.472 2.277 1.00 0.00 H new ATOM 321 N GLY A 23 -6.069 -9.995 3.930 1.00 0.00 N ATOM 322 CA GLY A 23 -5.761 -10.082 5.345 1.00 0.00 C ATOM 323 C GLY A 23 -5.464 -8.732 5.913 1.00 0.00 C ATOM 324 O GLY A 23 -4.579 -8.570 6.740 1.00 0.00 O ATOM 0 H GLY A 23 -6.552 -9.142 3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.602 -10.527 5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.905 -10.740 5.495 1.00 0.00 H new ATOM 328 N ILE A 24 -6.194 -7.749 5.446 1.00 0.00 N ATOM 329 CA ILE A 24 -5.974 -6.390 5.892 1.00 0.00 C ATOM 330 C ILE A 24 -7.180 -5.802 6.599 1.00 0.00 C ATOM 331 O ILE A 24 -8.324 -6.156 6.312 1.00 0.00 O ATOM 332 CB ILE A 24 -5.589 -5.491 4.707 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.773 -5.345 3.747 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.381 -6.089 3.976 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.670 -4.170 4.067 1.00 0.00 C ATOM 0 H ILE A 24 -6.942 -7.860 4.761 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.156 -6.430 6.612 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.324 -4.502 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.395 -5.236 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.365 -6.260 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.111 -5.449 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.538 -6.161 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.634 -7.083 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.487 -4.129 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.078 -4.286 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.093 -3.247 4.015 1.00 0.00 H new ATOM 347 N SER A 25 -6.907 -4.874 7.505 1.00 0.00 N ATOM 348 CA SER A 25 -7.940 -4.200 8.233 1.00 0.00 C ATOM 349 C SER A 25 -8.125 -2.821 7.635 1.00 0.00 C ATOM 350 O SER A 25 -7.212 -1.997 7.664 1.00 0.00 O ATOM 351 CB SER A 25 -7.607 -4.115 9.724 1.00 0.00 C ATOM 352 OG SER A 25 -8.785 -4.028 10.505 1.00 0.00 O ATOM 0 H SER A 25 -5.961 -4.577 7.746 1.00 0.00 H new ATOM 0 HA SER A 25 -8.869 -4.764 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.033 -4.992 10.022 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.978 -3.244 9.910 1.00 0.00 H new ATOM 0 HG SER A 25 -8.545 -3.977 11.454 1.00 0.00 H new ATOM 358 N VAL A 26 -9.286 -2.584 7.049 1.00 0.00 N ATOM 359 CA VAL A 26 -9.542 -1.314 6.397 1.00 0.00 C ATOM 360 C VAL A 26 -10.363 -0.375 7.271 1.00 0.00 C ATOM 361 O VAL A 26 -11.045 -0.805 8.202 1.00 0.00 O ATOM 362 CB VAL A 26 -10.258 -1.520 5.048 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.544 -2.310 5.237 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.539 -0.185 4.380 1.00 0.00 C ATOM 0 H VAL A 26 -10.059 -3.248 7.012 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.570 -0.852 6.223 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.599 -2.094 4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.034 -2.444 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.312 -3.285 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.209 -1.767 5.909 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.045 -0.353 3.429 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.175 0.419 5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.599 0.338 4.203 1.00 0.00 H new ATOM 374 N THR A 27 -10.254 0.922 6.976 1.00 0.00 N ATOM 375 CA THR A 27 -10.945 1.957 7.739 1.00 0.00 C ATOM 376 C THR A 27 -10.186 2.231 9.033 1.00 0.00 C ATOM 377 O THR A 27 -10.624 3.011 9.878 1.00 0.00 O ATOM 378 CB THR A 27 -12.389 1.548 8.047 1.00 0.00 C ATOM 379 OG1 THR A 27 -12.971 0.889 6.936 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.279 2.718 8.406 1.00 0.00 C ATOM 0 H THR A 27 -9.688 1.280 6.207 1.00 0.00 H new ATOM 0 HA THR A 27 -10.978 2.866 7.138 1.00 0.00 H new ATOM 0 HB THR A 27 -12.324 0.885 8.910 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.892 0.634 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.287 2.358 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.884 3.218 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.308 3.422 7.574 1.00 0.00 H new ATOM 388 N VAL A 28 -9.038 1.572 9.170 1.00 0.00 N ATOM 389 CA VAL A 28 -8.190 1.710 10.335 1.00 0.00 C ATOM 390 C VAL A 28 -7.359 2.985 10.267 1.00 0.00 C ATOM 391 O VAL A 28 -7.175 3.667 11.275 1.00 0.00 O ATOM 392 CB VAL A 28 -7.257 0.498 10.447 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.069 -0.785 10.455 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.270 0.485 9.293 1.00 0.00 C ATOM 0 H VAL A 28 -8.675 0.926 8.469 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.833 1.765 11.214 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.700 0.569 11.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.398 -1.640 10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.751 -0.779 11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.642 -0.859 9.531 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.614 -0.381 9.385 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.814 0.430 8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.673 1.397 9.315 1.00 0.00 H new ATOM 404 N LEU A 29 -6.875 3.321 9.070 1.00 0.00 N ATOM 405 CA LEU A 29 -6.097 4.523 8.888 1.00 0.00 C ATOM 406 C LEU A 29 -6.864 5.479 8.013 1.00 0.00 C ATOM 407 O LEU A 29 -6.537 6.660 7.894 1.00 0.00 O ATOM 408 CB LEU A 29 -4.731 4.205 8.279 1.00 0.00 C ATOM 409 CG LEU A 29 -3.947 3.085 8.971 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.460 3.226 8.678 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.188 3.098 10.475 1.00 0.00 C ATOM 0 H LEU A 29 -7.014 2.772 8.221 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.921 4.985 9.859 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.873 3.933 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.126 5.111 8.294 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.299 2.131 8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.914 2.425 9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.294 3.166 7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.106 4.189 9.046 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.620 2.293 10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.867 4.055 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.250 2.955 10.675 1.00 0.00 H new ATOM 423 N PHE A 30 -7.899 4.935 7.412 1.00 0.00 N ATOM 424 CA PHE A 30 -8.767 5.676 6.543 1.00 0.00 C ATOM 425 C PHE A 30 -10.213 5.532 7.016 1.00 0.00 C ATOM 426 O PHE A 30 -10.463 5.100 8.141 1.00 0.00 O ATOM 427 CB PHE A 30 -8.623 5.141 5.126 1.00 0.00 C ATOM 428 CG PHE A 30 -8.788 6.076 4.099 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.046 7.406 4.272 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.578 5.567 2.911 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.083 8.204 3.174 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.616 6.294 1.854 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.863 7.639 1.937 1.00 0.00 C ATOM 0 H PHE A 30 -8.159 3.954 7.518 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.497 6.732 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.635 4.692 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.351 4.343 4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.216 7.813 5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.368 4.512 2.818 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.281 9.261 3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.451 5.840 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.885 8.248 1.045 1.00 0.00 H new ATOM 443 N ASP A 31 -11.161 5.876 6.153 1.00 0.00 N ATOM 444 CA ASP A 31 -12.576 5.758 6.491 1.00 0.00 C ATOM 445 C ASP A 31 -13.182 4.523 5.824 1.00 0.00 C ATOM 446 O ASP A 31 -14.297 4.114 6.151 1.00 0.00 O ATOM 447 CB ASP A 31 -13.340 7.016 6.069 1.00 0.00 C ATOM 448 CG ASP A 31 -12.598 8.291 6.423 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.035 8.361 7.534 1.00 0.00 O ATOM 450 OD2 ASP A 31 -12.582 9.219 5.587 1.00 0.00 O ATOM 0 H ASP A 31 -10.978 6.238 5.217 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.661 5.650 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.515 6.988 4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.318 7.022 6.551 1.00 0.00 H new ATOM 455 N LYS A 32 -12.434 3.931 4.893 1.00 0.00 N ATOM 456 CA LYS A 32 -12.880 2.742 4.177 1.00 0.00 C ATOM 457 C LYS A 32 -11.840 2.310 3.149 1.00 0.00 C ATOM 458 O LYS A 32 -12.191 1.867 2.055 1.00 0.00 O ATOM 459 CB LYS A 32 -14.220 2.997 3.474 1.00 0.00 C ATOM 460 CG LYS A 32 -14.137 4.003 2.338 1.00 0.00 C ATOM 461 CD LYS A 32 -14.114 5.430 2.857 1.00 0.00 C ATOM 462 CE LYS A 32 -12.699 5.982 2.898 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.647 7.414 2.494 1.00 0.00 N ATOM 0 H LYS A 32 -11.509 4.261 4.617 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.011 1.945 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.600 2.053 3.083 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.943 3.352 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.239 3.815 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.989 3.871 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.734 6.061 2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.548 5.462 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.297 5.875 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.062 5.395 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.674 7.664 2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.281 7.570 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.949 8.011 3.290 1.00 0.00 H new ATOM 477 N GLY A 33 -10.557 2.447 3.491 1.00 0.00 N ATOM 478 CA GLY A 33 -9.513 2.070 2.553 1.00 0.00 C ATOM 479 C GLY A 33 -9.744 2.728 1.196 1.00 0.00 C ATOM 480 O GLY A 33 -9.482 3.912 1.021 1.00 0.00 O ATOM 0 H GLY A 33 -10.228 2.807 4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.540 2.366 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.494 0.986 2.439 1.00 0.00 H new ATOM 484 N GLY A 34 -10.261 1.955 0.236 1.00 0.00 N ATOM 485 CA GLY A 34 -10.532 2.487 -1.093 1.00 0.00 C ATOM 486 C GLY A 34 -11.395 3.731 -1.047 1.00 0.00 C ATOM 487 O GLY A 34 -12.122 3.936 -0.079 1.00 0.00 O ATOM 0 H GLY A 34 -10.496 0.970 0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.589 2.719 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.028 1.725 -1.693 1.00 0.00 H new ATOM 491 N VAL A 35 -11.289 4.577 -2.081 1.00 0.00 N ATOM 492 CA VAL A 35 -12.028 5.826 -2.160 1.00 0.00 C ATOM 493 C VAL A 35 -11.234 6.734 -3.063 1.00 0.00 C ATOM 494 O VAL A 35 -10.300 6.277 -3.714 1.00 0.00 O ATOM 495 CB VAL A 35 -12.158 6.472 -0.765 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.776 6.683 -0.150 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.999 7.745 -0.773 1.00 0.00 C ATOM 0 H VAL A 35 -10.684 4.406 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.035 5.655 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.707 5.777 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.882 7.139 0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.271 5.722 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.188 7.338 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.053 8.152 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.541 8.479 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.004 7.515 -1.126 1.00 0.00 H new ATOM 507 N ASN A 36 -11.528 8.008 -3.050 1.00 0.00 N ATOM 508 CA ASN A 36 -10.767 8.944 -3.802 1.00 0.00 C ATOM 509 C ASN A 36 -10.721 10.158 -2.935 1.00 0.00 C ATOM 510 O ASN A 36 -10.660 11.293 -3.405 1.00 0.00 O ATOM 511 CB ASN A 36 -11.402 9.248 -5.157 1.00 0.00 C ATOM 512 CG ASN A 36 -12.649 10.116 -5.059 1.00 0.00 C ATOM 513 OD1 ASN A 36 -13.633 9.672 -4.286 1.00 0.00 O flip ATOM 514 ND2 ASN A 36 -12.724 11.178 -5.677 1.00 0.00 N flip ATOM 0 H ASN A 36 -12.298 8.414 -2.519 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.775 8.562 -4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.669 9.748 -5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.659 8.310 -5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.946 11.484 -6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.564 11.752 -5.605 1.00 0.00 H new ATOM 521 N THR A 37 -10.857 9.859 -1.637 1.00 0.00 N ATOM 522 CA THR A 37 -10.941 10.844 -0.595 1.00 0.00 C ATOM 523 C THR A 37 -10.659 12.271 -1.080 1.00 0.00 C ATOM 524 O THR A 37 -11.468 13.175 -0.869 1.00 0.00 O ATOM 525 CB THR A 37 -10.022 10.488 0.573 1.00 0.00 C ATOM 526 OG1 THR A 37 -10.197 11.400 1.643 1.00 0.00 O ATOM 527 CG2 THR A 37 -8.553 10.490 0.206 1.00 0.00 C ATOM 0 H THR A 37 -10.911 8.900 -1.293 1.00 0.00 H new ATOM 0 HA THR A 37 -11.976 10.829 -0.254 1.00 0.00 H new ATOM 0 HB THR A 37 -10.305 9.476 0.863 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.602 11.155 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.959 10.229 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.374 9.761 -0.584 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.267 11.482 -0.144 1.00 0.00 H new ATOM 535 N SER A 38 -9.514 12.467 -1.733 1.00 0.00 N ATOM 536 CA SER A 38 -9.148 13.785 -2.244 1.00 0.00 C ATOM 537 C SER A 38 -8.051 13.696 -3.299 1.00 0.00 C ATOM 538 O SER A 38 -6.925 14.148 -3.088 1.00 0.00 O ATOM 539 CB SER A 38 -8.686 14.685 -1.113 1.00 0.00 C ATOM 540 OG SER A 38 -9.555 14.601 0.003 1.00 0.00 O ATOM 0 H SER A 38 -8.829 11.735 -1.919 1.00 0.00 H new ATOM 0 HA SER A 38 -10.039 14.209 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.677 14.404 -0.812 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.639 15.716 -1.463 1.00 0.00 H new ATOM 0 HG SER A 38 -10.464 14.402 -0.304 1.00 0.00 H new ATOM 546 N VAL A 39 -8.395 13.114 -4.432 1.00 0.00 N ATOM 547 CA VAL A 39 -7.466 12.954 -5.536 1.00 0.00 C ATOM 548 C VAL A 39 -8.231 12.538 -6.799 1.00 0.00 C ATOM 549 O VAL A 39 -9.461 12.497 -6.789 1.00 0.00 O ATOM 550 CB VAL A 39 -6.387 11.916 -5.174 1.00 0.00 C ATOM 551 CG1 VAL A 39 -6.987 10.529 -5.122 1.00 0.00 C ATOM 552 CG2 VAL A 39 -5.207 11.973 -6.133 1.00 0.00 C ATOM 0 H VAL A 39 -9.326 12.739 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.968 13.903 -5.732 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.003 12.161 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.212 9.807 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.774 10.501 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.408 10.278 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.467 11.226 -5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.552 11.770 -7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.755 12.964 -6.096 1.00 0.00 H new ATOM 562 N ARG A 40 -7.519 12.252 -7.884 1.00 0.00 N ATOM 563 CA ARG A 40 -8.166 11.870 -9.136 1.00 0.00 C ATOM 564 C ARG A 40 -7.851 10.429 -9.530 1.00 0.00 C ATOM 565 O ARG A 40 -7.910 10.073 -10.707 1.00 0.00 O ATOM 566 CB ARG A 40 -7.726 12.819 -10.246 1.00 0.00 C ATOM 567 CG ARG A 40 -8.470 12.615 -11.556 1.00 0.00 C ATOM 568 CD ARG A 40 -8.496 13.889 -12.386 1.00 0.00 C ATOM 569 NE ARG A 40 -9.718 13.998 -13.179 1.00 0.00 N ATOM 570 CZ ARG A 40 -9.922 13.346 -14.321 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.990 12.534 -14.806 1.00 0.00 N ATOM 572 NH2 ARG A 40 -11.062 13.503 -14.979 1.00 0.00 N ATOM 0 H ARG A 40 -6.500 12.277 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.244 11.939 -8.988 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.871 13.846 -9.912 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.658 12.689 -10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.993 11.818 -12.126 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.491 12.293 -11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.413 14.753 -11.727 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.631 13.908 -13.048 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.459 14.610 -12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.112 12.407 -14.303 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.152 12.037 -15.682 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.783 14.123 -14.610 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.219 13.003 -15.854 1.00 0.00 H new ATOM 586 N HIS A 41 -7.514 9.602 -8.547 1.00 0.00 N ATOM 587 CA HIS A 41 -7.188 8.198 -8.811 1.00 0.00 C ATOM 588 C HIS A 41 -7.833 7.271 -7.800 1.00 0.00 C ATOM 589 O HIS A 41 -8.050 6.089 -8.064 1.00 0.00 O ATOM 590 CB HIS A 41 -5.688 7.984 -8.743 1.00 0.00 C ATOM 591 CG HIS A 41 -4.918 9.041 -9.465 1.00 0.00 C ATOM 592 ND1 HIS A 41 -4.900 9.134 -10.837 1.00 0.00 N ATOM 593 CD2 HIS A 41 -4.164 10.069 -9.008 1.00 0.00 C ATOM 594 CE1 HIS A 41 -4.172 10.170 -11.197 1.00 0.00 C ATOM 595 NE2 HIS A 41 -3.712 10.756 -10.107 1.00 0.00 N ATOM 0 H HIS A 41 -7.458 9.873 -7.565 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.568 7.969 -9.806 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.376 7.963 -7.699 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.445 7.010 -9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.957 10.304 -7.974 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.983 10.487 -12.212 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.117 11.584 -10.085 1.00 0.00 H new ATOM 604 N GLY A 42 -8.088 7.811 -6.626 1.00 0.00 N ATOM 605 CA GLY A 42 -8.652 7.035 -5.556 1.00 0.00 C ATOM 606 C GLY A 42 -7.803 7.163 -4.315 1.00 0.00 C ATOM 607 O GLY A 42 -7.716 8.235 -3.720 1.00 0.00 O ATOM 0 H GLY A 42 -7.911 8.788 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.667 7.373 -5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.720 5.988 -5.853 1.00 0.00 H new ATOM 611 N GLY A 43 -7.108 6.092 -3.969 1.00 0.00 N ATOM 612 CA GLY A 43 -6.197 6.154 -2.843 1.00 0.00 C ATOM 613 C GLY A 43 -6.617 5.450 -1.554 1.00 0.00 C ATOM 614 O GLY A 43 -6.997 6.105 -0.587 1.00 0.00 O ATOM 0 H GLY A 43 -7.156 5.189 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.242 5.734 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.021 7.204 -2.610 1.00 0.00 H new ATOM 618 N ILE A 44 -6.498 4.124 -1.528 1.00 0.00 N ATOM 619 CA ILE A 44 -6.813 3.329 -0.327 1.00 0.00 C ATOM 620 C ILE A 44 -5.798 3.547 0.786 1.00 0.00 C ATOM 621 O ILE A 44 -4.591 3.445 0.582 1.00 0.00 O ATOM 622 CB ILE A 44 -6.839 1.805 -0.586 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.479 1.067 0.599 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.424 1.272 -0.839 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.859 -0.278 0.923 1.00 0.00 C ATOM 0 H ILE A 44 -6.185 3.569 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.805 3.677 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.441 1.624 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.414 1.703 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.538 0.921 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.467 0.198 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.998 1.769 -1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.800 1.470 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.377 -0.722 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.947 -0.937 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.806 -0.143 1.170 1.00 0.00 H new ATOM 637 N TYR A 45 -6.315 3.759 1.973 1.00 0.00 N ATOM 638 CA TYR A 45 -5.483 3.906 3.164 1.00 0.00 C ATOM 639 C TYR A 45 -5.923 2.893 4.199 1.00 0.00 C ATOM 640 O TYR A 45 -7.117 2.656 4.371 1.00 0.00 O ATOM 641 CB TYR A 45 -5.502 5.314 3.717 1.00 0.00 C ATOM 642 CG TYR A 45 -4.789 6.317 2.868 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.360 6.780 1.704 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.557 6.816 3.245 1.00 0.00 C ATOM 645 CE1 TYR A 45 -4.726 7.715 0.928 1.00 0.00 C ATOM 646 CE2 TYR A 45 -2.908 7.751 2.476 1.00 0.00 C ATOM 647 CZ TYR A 45 -3.496 8.202 1.314 1.00 0.00 C ATOM 648 OH TYR A 45 -2.855 9.141 0.539 1.00 0.00 O ATOM 0 H TYR A 45 -7.317 3.836 2.150 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.446 3.715 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.538 5.630 3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.051 5.309 4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.323 6.400 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.098 6.466 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.188 8.069 0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.943 8.130 2.780 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.999 9.379 0.954 1.00 0.00 H new ATOM 658 N VAL A 46 -4.967 2.201 4.805 1.00 0.00 N ATOM 659 CA VAL A 46 -5.318 1.128 5.690 1.00 0.00 C ATOM 660 C VAL A 46 -4.235 0.751 6.711 1.00 0.00 C ATOM 661 O VAL A 46 -3.200 1.407 6.797 1.00 0.00 O ATOM 662 CB VAL A 46 -5.549 -0.029 4.738 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.264 -0.720 4.400 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.611 -0.958 5.267 1.00 0.00 C ATOM 0 H VAL A 46 -3.967 2.367 4.696 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.170 1.407 6.310 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.931 0.364 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.463 -1.545 3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.584 -0.012 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.808 -1.107 5.311 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.758 -1.779 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.298 -1.356 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.546 -0.411 5.386 1.00 0.00 H new ATOM 674 N LYS A 47 -4.455 -0.372 7.424 1.00 0.00 N ATOM 675 CA LYS A 47 -3.447 -0.887 8.369 1.00 0.00 C ATOM 676 C LYS A 47 -2.566 -1.813 7.564 1.00 0.00 C ATOM 677 O LYS A 47 -1.427 -2.123 7.914 1.00 0.00 O ATOM 678 CB LYS A 47 -4.059 -1.652 9.554 1.00 0.00 C ATOM 679 CG LYS A 47 -4.585 -3.036 9.202 1.00 0.00 C ATOM 680 CD LYS A 47 -4.719 -3.912 10.438 1.00 0.00 C ATOM 681 CE LYS A 47 -3.380 -4.107 11.131 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.296 -5.426 11.816 1.00 0.00 N ATOM 0 H LYS A 47 -5.306 -0.930 7.365 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.901 -0.053 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.306 -1.750 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.875 -1.061 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.555 -2.944 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.912 -3.512 8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.426 -3.458 11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.128 -4.882 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.577 -4.027 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.228 -3.310 11.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.368 -5.520 12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.046 -5.493 12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.415 -6.188 11.118 1.00 0.00 H new ATOM 696 N ALA A 48 -3.146 -2.190 6.436 1.00 0.00 N ATOM 697 CA ALA A 48 -2.564 -3.000 5.448 1.00 0.00 C ATOM 698 C ALA A 48 -2.674 -4.479 5.777 1.00 0.00 C ATOM 699 O ALA A 48 -3.696 -4.923 6.284 1.00 0.00 O ATOM 700 CB ALA A 48 -1.187 -2.507 5.242 1.00 0.00 C ATOM 0 H ALA A 48 -4.096 -1.905 6.198 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.103 -2.924 4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.695 -3.110 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.218 -1.467 4.918 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.631 -2.580 6.177 1.00 0.00 H new ATOM 706 N VAL A 49 -1.667 -5.251 5.426 1.00 0.00 N ATOM 707 CA VAL A 49 -1.724 -6.673 5.594 1.00 0.00 C ATOM 708 C VAL A 49 -1.496 -7.223 6.977 1.00 0.00 C ATOM 709 O VAL A 49 -0.595 -6.829 7.719 1.00 0.00 O ATOM 710 CB VAL A 49 -0.730 -7.321 4.672 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.236 -7.233 3.261 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.636 -6.697 4.833 1.00 0.00 C ATOM 0 H VAL A 49 -0.797 -4.907 5.020 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.763 -6.912 5.365 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.620 -8.375 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.519 -7.702 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.194 -7.747 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.363 -6.186 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.339 -7.182 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.580 -5.634 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.975 -6.824 5.861 1.00 0.00 H new ATOM 722 N ILE A 50 -2.346 -8.202 7.252 1.00 0.00 N ATOM 723 CA ILE A 50 -2.347 -8.967 8.484 1.00 0.00 C ATOM 724 C ILE A 50 -0.920 -9.267 8.939 1.00 0.00 C ATOM 725 O ILE A 50 0.020 -9.180 8.150 1.00 0.00 O ATOM 726 CB ILE A 50 -3.113 -10.301 8.250 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.972 -10.660 9.463 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.164 -11.434 7.899 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.353 -11.159 9.097 1.00 0.00 C ATOM 0 H ILE A 50 -3.076 -8.492 6.601 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.838 -8.383 9.263 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.777 -10.154 7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.461 -11.425 10.047 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.069 -9.783 10.102 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.733 -12.350 7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.621 -11.184 6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.456 -11.582 8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.907 -11.395 10.005 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.883 -10.387 8.539 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.265 -12.055 8.483 1.00 0.00 H new ATOM 741 N PRO A 51 -0.735 -9.636 10.212 1.00 0.00 N ATOM 742 CA PRO A 51 0.580 -9.954 10.748 1.00 0.00 C ATOM 743 C PRO A 51 1.040 -11.350 10.390 1.00 0.00 C ATOM 744 O PRO A 51 2.234 -11.645 10.340 1.00 0.00 O ATOM 745 CB PRO A 51 0.401 -9.830 12.267 1.00 0.00 C ATOM 746 CG PRO A 51 -1.023 -9.421 12.489 1.00 0.00 C ATOM 747 CD PRO A 51 -1.770 -9.771 11.235 1.00 0.00 C ATOM 0 HA PRO A 51 1.342 -9.291 10.339 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.616 -10.777 12.763 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.087 -9.091 12.681 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.446 -9.940 13.349 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.092 -8.353 12.696 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.177 -10.782 11.272 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.608 -9.096 11.058 1.00 0.00 H new ATOM 755 N GLN A 52 0.074 -12.192 10.168 1.00 0.00 N ATOM 756 CA GLN A 52 0.328 -13.592 9.834 1.00 0.00 C ATOM 757 C GLN A 52 0.358 -13.848 8.328 1.00 0.00 C ATOM 758 O GLN A 52 0.244 -14.993 7.890 1.00 0.00 O ATOM 759 CB GLN A 52 -0.699 -14.509 10.506 1.00 0.00 C ATOM 760 CG GLN A 52 -2.106 -13.935 10.556 1.00 0.00 C ATOM 761 CD GLN A 52 -2.431 -13.304 11.895 1.00 0.00 C ATOM 762 OE1 GLN A 52 -1.551 -12.778 12.577 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.700 -13.356 12.282 1.00 0.00 N ATOM 0 H GLN A 52 -0.915 -11.944 10.209 1.00 0.00 H new ATOM 0 HA GLN A 52 1.322 -13.823 10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.725 -15.460 9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.369 -14.722 11.523 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.218 -13.188 9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.825 -14.727 10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.397 -13.802 11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.978 -12.950 13.176 1.00 0.00 H new ATOM 772 N GLY A 53 0.543 -12.797 7.543 1.00 0.00 N ATOM 773 CA GLY A 53 0.619 -12.966 6.099 1.00 0.00 C ATOM 774 C GLY A 53 -0.650 -12.569 5.371 1.00 0.00 C ATOM 775 O GLY A 53 -0.872 -11.396 5.088 1.00 0.00 O ATOM 0 H GLY A 53 0.642 -11.837 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.448 -12.371 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.844 -14.009 5.876 1.00 0.00 H new ATOM 779 N ALA A 54 -1.491 -13.554 5.079 1.00 0.00 N ATOM 780 CA ALA A 54 -2.750 -13.325 4.391 1.00 0.00 C ATOM 781 C ALA A 54 -2.621 -12.299 3.246 1.00 0.00 C ATOM 782 O ALA A 54 -1.966 -12.592 2.246 1.00 0.00 O ATOM 783 CB ALA A 54 -3.788 -12.955 5.415 1.00 0.00 C ATOM 0 H ALA A 54 -1.317 -14.531 5.313 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.066 -14.240 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.742 -12.779 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.897 -13.768 6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.478 -12.050 5.937 1.00 0.00 H new ATOM 789 N ALA A 55 -3.221 -11.102 3.369 1.00 0.00 N ATOM 790 CA ALA A 55 -3.114 -10.096 2.313 1.00 0.00 C ATOM 791 C ALA A 55 -1.654 -9.873 2.008 1.00 0.00 C ATOM 792 O ALA A 55 -1.248 -9.654 0.873 1.00 0.00 O ATOM 793 CB ALA A 55 -3.784 -8.798 2.719 1.00 0.00 C ATOM 0 H ALA A 55 -3.775 -10.816 4.177 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.627 -10.454 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.687 -8.071 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.840 -8.980 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.307 -8.408 3.618 1.00 0.00 H new ATOM 799 N GLU A 56 -0.883 -9.948 3.068 1.00 0.00 N ATOM 800 CA GLU A 56 0.562 -9.786 3.003 1.00 0.00 C ATOM 801 C GLU A 56 1.132 -10.801 2.011 1.00 0.00 C ATOM 802 O GLU A 56 2.101 -10.532 1.302 1.00 0.00 O ATOM 803 CB GLU A 56 1.152 -9.967 4.398 1.00 0.00 C ATOM 804 CG GLU A 56 2.519 -9.326 4.579 1.00 0.00 C ATOM 805 CD GLU A 56 3.638 -10.348 4.643 1.00 0.00 C ATOM 806 OE1 GLU A 56 4.064 -10.829 3.573 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.087 -10.665 5.765 1.00 0.00 O ATOM 0 H GLU A 56 -1.237 -10.124 4.008 1.00 0.00 H new ATOM 0 HA GLU A 56 0.823 -8.786 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.464 -9.544 5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.230 -11.033 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.706 -8.639 3.754 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.520 -8.733 5.494 1.00 0.00 H new ATOM 814 N SER A 57 0.455 -11.939 1.930 1.00 0.00 N ATOM 815 CA SER A 57 0.787 -12.999 0.991 1.00 0.00 C ATOM 816 C SER A 57 0.243 -12.561 -0.345 1.00 0.00 C ATOM 817 O SER A 57 0.920 -12.637 -1.369 1.00 0.00 O ATOM 818 CB SER A 57 0.169 -14.332 1.420 1.00 0.00 C ATOM 819 OG SER A 57 0.185 -14.473 2.830 1.00 0.00 O ATOM 0 H SER A 57 -0.348 -12.153 2.521 1.00 0.00 H new ATOM 0 HA SER A 57 1.864 -13.160 0.948 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.857 -14.394 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.719 -15.155 0.963 1.00 0.00 H new ATOM 0 HG SER A 57 -0.217 -15.332 3.077 1.00 0.00 H new ATOM 825 N ASP A 58 -0.961 -11.984 -0.291 1.00 0.00 N ATOM 826 CA ASP A 58 -1.570 -11.397 -1.463 1.00 0.00 C ATOM 827 C ASP A 58 -0.623 -10.311 -1.930 1.00 0.00 C ATOM 828 O ASP A 58 -0.617 -9.913 -3.094 1.00 0.00 O ATOM 829 CB ASP A 58 -2.949 -10.818 -1.130 1.00 0.00 C ATOM 830 CG ASP A 58 -3.494 -9.930 -2.225 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.416 -10.329 -3.406 1.00 0.00 O ATOM 832 OD2 ASP A 58 -3.998 -8.834 -1.901 1.00 0.00 O ATOM 0 H ASP A 58 -1.524 -11.917 0.557 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.729 -12.142 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.647 -11.636 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.884 -10.246 -0.204 1.00 0.00 H new ATOM 837 N GLY A 59 0.188 -9.838 -0.976 1.00 0.00 N ATOM 838 CA GLY A 59 1.146 -8.797 -1.274 1.00 0.00 C ATOM 839 C GLY A 59 0.470 -7.473 -1.447 1.00 0.00 C ATOM 840 O GLY A 59 0.703 -6.779 -2.426 1.00 0.00 O ATOM 0 H GLY A 59 0.192 -10.161 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.878 -8.732 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.692 -9.051 -2.182 1.00 0.00 H new ATOM 844 N ARG A 60 -0.358 -7.124 -0.472 1.00 0.00 N ATOM 845 CA ARG A 60 -1.084 -5.866 -0.484 1.00 0.00 C ATOM 846 C ARG A 60 -0.624 -5.051 0.694 1.00 0.00 C ATOM 847 O ARG A 60 -1.408 -4.676 1.566 1.00 0.00 O ATOM 848 CB ARG A 60 -2.594 -6.120 -0.414 1.00 0.00 C ATOM 849 CG ARG A 60 -3.420 -5.103 -1.187 1.00 0.00 C ATOM 850 CD ARG A 60 -3.401 -3.739 -0.521 1.00 0.00 C ATOM 851 NE ARG A 60 -4.405 -3.631 0.531 1.00 0.00 N ATOM 852 CZ ARG A 60 -4.648 -2.514 1.209 1.00 0.00 C ATOM 853 NH1 ARG A 60 -3.956 -1.410 0.948 1.00 0.00 N ATOM 854 NH2 ARG A 60 -5.584 -2.502 2.149 1.00 0.00 N ATOM 0 H ARG A 60 -0.544 -7.704 0.346 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.886 -5.324 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.805 -7.117 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.907 -6.112 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.033 -5.017 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.449 -5.455 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.413 -3.555 -0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.576 -2.967 -1.270 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.952 -4.461 0.760 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.236 -1.418 0.226 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.145 -0.554 1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.116 -3.349 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.772 -1.646 2.671 1.00 0.00 H new ATOM 868 N ILE A 61 0.677 -4.838 0.739 1.00 0.00 N ATOM 869 CA ILE A 61 1.294 -4.162 1.792 1.00 0.00 C ATOM 870 C ILE A 61 1.393 -2.675 1.606 1.00 0.00 C ATOM 871 O ILE A 61 1.694 -2.176 0.524 1.00 0.00 O ATOM 872 CB ILE A 61 2.690 -4.697 1.989 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.351 -5.174 0.682 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.647 -5.824 2.991 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.390 -4.128 -0.412 1.00 0.00 C ATOM 0 H ILE A 61 1.322 -5.149 0.013 1.00 0.00 H new ATOM 0 HA ILE A 61 0.657 -4.337 2.659 1.00 0.00 H new ATOM 0 HB ILE A 61 3.305 -3.876 2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.370 -5.494 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.814 -6.048 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.653 -6.217 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.258 -5.453 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.999 -6.617 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.871 -4.545 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.373 -3.824 -0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.954 -3.261 -0.067 1.00 0.00 H new ATOM 887 N HIS A 62 1.188 -2.007 2.723 1.00 0.00 N ATOM 888 CA HIS A 62 1.281 -0.573 2.849 1.00 0.00 C ATOM 889 C HIS A 62 0.060 -0.037 3.571 1.00 0.00 C ATOM 890 O HIS A 62 -1.040 0.004 3.019 1.00 0.00 O ATOM 891 CB HIS A 62 1.466 0.162 1.521 1.00 0.00 C ATOM 892 CG HIS A 62 2.908 0.374 1.177 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.716 -0.621 0.670 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.695 1.470 1.295 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.936 -0.148 0.493 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.950 1.118 0.863 1.00 0.00 N ATOM 0 H HIS A 62 0.943 -2.469 3.599 1.00 0.00 H new ATOM 0 HA HIS A 62 2.184 -0.380 3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.986 -0.407 0.725 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.962 1.127 1.571 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.418 -1.574 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.392 2.440 1.661 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.779 -0.703 0.110 1.00 0.00 H new ATOM 905 N LYS A 63 0.267 0.374 4.805 1.00 0.00 N ATOM 906 CA LYS A 63 -0.808 0.916 5.621 1.00 0.00 C ATOM 907 C LYS A 63 -1.008 2.375 5.290 1.00 0.00 C ATOM 908 O LYS A 63 -0.144 3.201 5.588 1.00 0.00 O ATOM 909 CB LYS A 63 -0.484 0.759 7.105 1.00 0.00 C ATOM 910 CG LYS A 63 0.911 1.237 7.479 1.00 0.00 C ATOM 911 CD LYS A 63 1.832 0.073 7.805 1.00 0.00 C ATOM 912 CE LYS A 63 1.757 -0.301 9.277 1.00 0.00 C ATOM 913 NZ LYS A 63 2.564 -1.514 9.583 1.00 0.00 N ATOM 0 H LYS A 63 1.174 0.344 5.270 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.724 0.366 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.218 1.315 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.585 -0.291 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.331 1.815 6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.849 1.905 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.561 -0.789 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.858 0.336 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.112 0.533 9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.718 -0.477 9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.487 -1.736 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.210 -2.317 9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.560 -1.338 9.342 1.00 0.00 H new ATOM 927 N GLY A 64 -2.125 2.706 4.652 1.00 0.00 N ATOM 928 CA GLY A 64 -2.325 4.096 4.298 1.00 0.00 C ATOM 929 C GLY A 64 -1.514 4.461 3.085 1.00 0.00 C ATOM 930 O GLY A 64 -0.298 4.620 3.161 1.00 0.00 O ATOM 0 H GLY A 64 -2.870 2.063 4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.382 4.278 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.042 4.734 5.136 1.00 0.00 H new ATOM 934 N ASP A 65 -2.191 4.559 1.962 1.00 0.00 N ATOM 935 CA ASP A 65 -1.532 4.874 0.697 1.00 0.00 C ATOM 936 C ASP A 65 -2.556 5.198 -0.377 1.00 0.00 C ATOM 937 O ASP A 65 -3.735 5.356 -0.065 1.00 0.00 O ATOM 938 CB ASP A 65 -0.689 3.684 0.274 1.00 0.00 C ATOM 939 CG ASP A 65 0.768 4.044 0.066 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.043 4.974 -0.723 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.634 3.400 0.691 1.00 0.00 O ATOM 0 H ASP A 65 -3.200 4.426 1.891 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.897 5.750 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.762 2.905 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.092 3.269 -0.650 1.00 0.00 H new ATOM 946 N ARG A 66 -2.137 5.311 -1.647 1.00 0.00 N ATOM 947 CA ARG A 66 -3.125 5.618 -2.673 1.00 0.00 C ATOM 948 C ARG A 66 -3.100 4.709 -3.917 1.00 0.00 C ATOM 949 O ARG A 66 -2.223 4.806 -4.767 1.00 0.00 O ATOM 950 CB ARG A 66 -2.978 7.076 -3.113 1.00 0.00 C ATOM 951 CG ARG A 66 -2.692 8.036 -1.968 1.00 0.00 C ATOM 952 CD ARG A 66 -1.216 8.396 -1.898 1.00 0.00 C ATOM 953 NE ARG A 66 -1.011 9.793 -1.522 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.196 10.819 -2.350 1.00 0.00 C ATOM 955 NH1 ARG A 66 -1.590 10.608 -3.601 1.00 0.00 N ATOM 956 NH2 ARG A 66 -0.988 12.058 -1.928 1.00 0.00 N ATOM 0 H ARG A 66 -1.176 5.201 -1.969 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.088 5.432 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.172 7.146 -3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.893 7.388 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.283 8.943 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.002 7.583 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.719 7.749 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.751 8.209 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.708 9.994 -0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.752 9.657 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.730 11.397 -4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.686 12.226 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.130 12.844 -2.563 1.00 0.00 H new ATOM 970 N VAL A 67 -4.124 3.866 -4.011 1.00 0.00 N ATOM 971 CA VAL A 67 -4.367 2.962 -5.068 1.00 0.00 C ATOM 972 C VAL A 67 -4.994 3.544 -6.292 1.00 0.00 C ATOM 973 O VAL A 67 -5.923 4.349 -6.233 1.00 0.00 O ATOM 974 CB VAL A 67 -5.285 1.839 -4.635 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.443 0.667 -4.432 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.068 2.153 -3.400 1.00 0.00 C ATOM 0 H VAL A 67 -4.840 3.814 -3.287 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.362 2.623 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.036 1.671 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.060 -0.174 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.937 0.417 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.701 0.881 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.704 1.305 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.383 2.351 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.688 3.032 -3.576 1.00 0.00 H new ATOM 986 N LEU A 68 -4.526 3.038 -7.407 1.00 0.00 N ATOM 987 CA LEU A 68 -5.089 3.406 -8.673 1.00 0.00 C ATOM 988 C LEU A 68 -6.338 2.547 -8.883 1.00 0.00 C ATOM 989 O LEU A 68 -7.421 3.070 -9.144 1.00 0.00 O ATOM 990 CB LEU A 68 -4.061 3.235 -9.808 1.00 0.00 C ATOM 991 CG LEU A 68 -4.231 2.006 -10.711 1.00 0.00 C ATOM 992 CD1 LEU A 68 -5.421 2.182 -11.646 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.959 1.763 -11.512 1.00 0.00 C ATOM 0 H LEU A 68 -3.756 2.370 -7.458 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.366 4.460 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.095 4.126 -10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.066 3.196 -9.364 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.420 1.138 -10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.522 1.299 -12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.329 2.314 -11.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.264 3.060 -12.273 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.092 0.888 -12.149 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.747 2.634 -12.132 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.126 1.592 -10.830 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.191 1.222 -8.716 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.317 0.310 -8.837 1.00 0.00 C ATOM 1007 C ALA A 69 -7.296 -0.663 -7.681 1.00 0.00 C ATOM 1008 O ALA A 69 -6.229 -0.990 -7.190 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.281 -0.424 -10.169 1.00 0.00 C ATOM 0 H ALA A 69 -5.303 0.770 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.245 0.881 -8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.134 -1.100 -10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.327 0.298 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.357 -0.997 -10.244 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.451 -1.153 -7.282 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.540 -2.128 -6.217 1.00 0.00 C ATOM 1017 C VAL A 70 -9.257 -3.360 -6.738 1.00 0.00 C ATOM 1018 O VAL A 70 -10.165 -3.258 -7.560 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.262 -1.564 -4.995 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.699 -1.312 -5.357 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.143 -2.508 -3.810 1.00 0.00 C ATOM 0 H VAL A 70 -9.350 -0.888 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.532 -2.392 -5.898 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.799 -0.623 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.227 -0.909 -4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.747 -0.597 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.167 -2.248 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.665 -2.083 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.587 -3.470 -4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.091 -2.648 -3.561 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.828 -4.519 -6.283 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.400 -5.786 -6.733 1.00 0.00 C ATOM 1033 C ASN A 71 -9.506 -5.823 -8.252 1.00 0.00 C ATOM 1034 O ASN A 71 -10.232 -6.642 -8.817 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.777 -5.971 -6.141 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.411 -7.298 -6.511 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.717 -8.258 -6.846 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.737 -7.358 -6.453 1.00 0.00 N ATOM 0 H ASN A 71 -8.080 -4.617 -5.597 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.742 -6.589 -6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.712 -5.896 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.423 -5.160 -6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.219 -8.225 -6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.273 -6.537 -6.170 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.792 -4.920 -8.910 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.847 -4.869 -10.359 1.00 0.00 C ATOM 1047 C GLY A 72 -9.699 -3.724 -10.858 1.00 0.00 C ATOM 1048 O GLY A 72 -9.522 -3.260 -11.983 1.00 0.00 O ATOM 0 H GLY A 72 -8.182 -4.229 -8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.837 -4.768 -10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.246 -5.809 -10.739 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.606 -3.240 -10.013 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.445 -2.118 -10.388 1.00 0.00 C ATOM 1054 C VAL A 73 -10.708 -0.843 -10.054 1.00 0.00 C ATOM 1055 O VAL A 73 -10.034 -0.770 -9.040 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.838 -2.115 -9.679 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.614 -0.840 -9.996 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.637 -3.346 -10.084 1.00 0.00 C ATOM 0 H VAL A 73 -10.774 -3.606 -9.076 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.646 -2.201 -11.456 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.673 -2.144 -8.602 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.579 -0.866 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.047 0.026 -9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.771 -0.768 -11.072 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.605 -3.332 -9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.787 -3.344 -11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.092 -4.245 -9.795 1.00 0.00 H new ATOM 1068 N SER A 74 -10.837 0.167 -10.884 1.00 0.00 N ATOM 1069 CA SER A 74 -10.165 1.418 -10.607 1.00 0.00 C ATOM 1070 C SER A 74 -10.986 2.139 -9.566 1.00 0.00 C ATOM 1071 O SER A 74 -12.136 2.497 -9.823 1.00 0.00 O ATOM 1072 CB SER A 74 -10.043 2.265 -11.876 1.00 0.00 C ATOM 1073 OG SER A 74 -8.862 3.050 -11.854 1.00 0.00 O ATOM 0 H SER A 74 -11.390 0.150 -11.741 1.00 0.00 H new ATOM 0 HA SER A 74 -9.153 1.237 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.035 1.615 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.913 2.914 -11.969 1.00 0.00 H new ATOM 0 HG SER A 74 -8.468 3.023 -10.957 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.422 2.344 -8.375 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.155 2.994 -7.354 1.00 0.00 C ATOM 1081 C LEU A 75 -10.812 4.439 -7.412 1.00 0.00 C ATOM 1082 O LEU A 75 -10.033 4.952 -6.618 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.809 2.422 -5.987 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.354 2.619 -5.586 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.237 2.874 -4.090 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.521 1.419 -5.995 1.00 0.00 C ATOM 0 H LEU A 75 -9.474 2.065 -8.122 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.224 2.844 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.449 2.887 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.036 1.356 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.970 3.495 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.189 3.012 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.798 3.771 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.640 2.022 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.484 1.578 -5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.905 0.525 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.575 1.290 -7.076 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.402 5.099 -8.358 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.148 6.491 -8.516 1.00 0.00 C ATOM 1100 C GLU A 76 -12.215 7.278 -7.770 1.00 0.00 C ATOM 1101 O GLU A 76 -12.602 8.374 -8.175 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.120 6.879 -9.996 1.00 0.00 C ATOM 1103 CG GLU A 76 -12.461 6.716 -10.694 1.00 0.00 C ATOM 1104 CD GLU A 76 -12.314 6.398 -12.169 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -11.329 5.724 -12.537 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -13.184 6.824 -12.957 1.00 0.00 O ATOM 0 H GLU A 76 -12.058 4.697 -9.028 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.168 6.726 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.797 7.916 -10.085 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.376 6.269 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.025 5.920 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.040 7.632 -10.579 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.715 6.676 -6.692 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.759 7.271 -5.911 1.00 0.00 C ATOM 1115 C GLY A 77 -15.050 6.503 -6.073 1.00 0.00 C ATOM 1116 O GLY A 77 -16.138 7.022 -5.820 1.00 0.00 O ATOM 0 H GLY A 77 -12.400 5.768 -6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.469 7.288 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.905 8.307 -6.218 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.914 5.250 -6.499 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.050 4.373 -6.705 1.00 0.00 C ATOM 1122 C ALA A 78 -16.424 3.679 -5.419 1.00 0.00 C ATOM 1123 O ALA A 78 -17.584 3.726 -5.016 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.743 3.352 -7.789 1.00 0.00 C ATOM 0 H ALA A 78 -14.013 4.820 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.897 4.978 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.606 2.702 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.520 3.868 -8.723 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.882 2.753 -7.491 1.00 0.00 H new ATOM 1130 N THR A 79 -15.450 3.018 -4.772 1.00 0.00 N ATOM 1131 CA THR A 79 -15.715 2.311 -3.550 1.00 0.00 C ATOM 1132 C THR A 79 -17.130 1.924 -3.446 1.00 0.00 C ATOM 1133 O THR A 79 -17.520 0.926 -4.034 1.00 0.00 O ATOM 1134 CB THR A 79 -15.287 3.091 -2.334 1.00 0.00 C ATOM 1135 OG1 THR A 79 -15.155 4.475 -2.605 1.00 0.00 O ATOM 1136 CG2 THR A 79 -14.004 2.576 -1.869 1.00 0.00 C ATOM 0 H THR A 79 -14.482 2.970 -5.089 1.00 0.00 H new ATOM 0 HA THR A 79 -15.114 1.402 -3.583 1.00 0.00 H new ATOM 0 HB THR A 79 -16.058 2.972 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.036 4.963 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.685 3.134 -0.989 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.107 1.522 -1.613 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.260 2.687 -2.658 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.882 2.703 -2.681 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.279 2.416 -2.477 1.00 0.00 C ATOM 1146 C HIS A 80 -19.532 0.959 -2.844 1.00 0.00 C ATOM 1147 O HIS A 80 -19.558 0.088 -1.977 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.136 3.411 -3.267 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.464 2.892 -3.681 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.795 2.201 -4.770 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.626 3.068 -2.961 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.146 1.960 -4.717 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.626 2.496 -3.608 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.542 3.534 -2.197 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.563 2.541 -1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.283 4.305 -2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.586 3.717 -4.157 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.706 3.590 -2.019 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.720 1.423 -5.457 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.599 2.472 -3.304 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.662 0.684 -4.125 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.823 -0.683 -4.574 1.00 0.00 C ATOM 1164 C LYS A 81 -18.496 -1.454 -4.743 1.00 0.00 C ATOM 1165 O LYS A 81 -18.261 -2.494 -4.132 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.593 -0.704 -5.896 1.00 0.00 C ATOM 1167 CG LYS A 81 -20.922 -2.104 -6.387 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.331 -2.515 -5.991 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.830 -3.676 -6.835 1.00 0.00 C ATOM 1170 NZ LYS A 81 -22.260 -4.976 -6.383 1.00 0.00 N ATOM 0 H LYS A 81 -19.659 1.382 -4.868 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.377 -1.194 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.520 -0.143 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.006 -0.190 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.821 -2.144 -7.472 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.205 -2.814 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.347 -2.796 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.004 -1.665 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -23.918 -3.720 -6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.565 -3.507 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -21.735 -5.415 -7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -21.617 -4.813 -5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.030 -5.608 -6.085 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.671 -0.932 -5.659 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.415 -1.580 -6.084 1.00 0.00 C ATOM 1186 C GLN A 82 -15.253 -1.609 -5.127 1.00 0.00 C ATOM 1187 O GLN A 82 -14.687 -2.672 -4.899 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.904 -0.880 -7.352 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.018 -0.498 -8.310 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.555 -0.353 -9.744 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.942 0.782 -10.058 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -16.748 -1.251 -10.563 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.853 -0.046 -6.130 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.716 -2.621 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.353 0.017 -7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.201 -1.537 -7.865 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.802 -1.254 -8.264 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.462 0.442 -7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.224 -2.107 -10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.432 -1.139 -11.526 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.830 -0.463 -4.643 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.632 -0.460 -3.797 1.00 0.00 C ATOM 1203 C ALA A 83 -13.864 -0.953 -2.410 1.00 0.00 C ATOM 1204 O ALA A 83 -13.135 -1.806 -1.903 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.882 0.864 -3.836 1.00 0.00 C ATOM 0 H ALA A 83 -15.265 0.446 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.971 -1.200 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.006 0.805 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.567 1.074 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.536 1.663 -3.487 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.877 -0.451 -1.812 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.202 -0.858 -0.479 1.00 0.00 C ATOM 1213 C VAL A 84 -15.539 -2.331 -0.472 1.00 0.00 C ATOM 1214 O VAL A 84 -15.140 -3.077 0.425 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.366 -0.043 0.109 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.236 0.503 -0.993 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.197 -0.888 1.057 1.00 0.00 C ATOM 0 H VAL A 84 -15.504 0.245 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.332 -0.673 0.150 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.943 0.789 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -18.055 1.077 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.642 1.149 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.642 -0.322 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -18.013 -0.288 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.606 -1.743 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.569 -1.241 1.875 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.272 -2.740 -1.488 1.00 0.00 N ATOM 1228 CA GLU A 85 -16.658 -4.140 -1.602 1.00 0.00 C ATOM 1229 C GLU A 85 -15.452 -5.038 -1.724 1.00 0.00 C ATOM 1230 O GLU A 85 -15.459 -6.166 -1.233 1.00 0.00 O ATOM 1231 CB GLU A 85 -17.481 -4.380 -2.844 1.00 0.00 C ATOM 1232 CG GLU A 85 -18.387 -5.595 -2.752 1.00 0.00 C ATOM 1233 CD GLU A 85 -19.185 -5.822 -4.021 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -20.277 -5.230 -4.151 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -18.719 -6.594 -4.885 1.00 0.00 O ATOM 0 H GLU A 85 -16.610 -2.137 -2.238 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.226 -4.366 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.090 -3.498 -3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.811 -4.501 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.784 -6.479 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.072 -5.471 -1.913 1.00 0.00 H new ATOM 1242 N THR A 86 -14.437 -4.567 -2.434 1.00 0.00 N ATOM 1243 CA THR A 86 -13.277 -5.402 -2.653 1.00 0.00 C ATOM 1244 C THR A 86 -12.533 -5.667 -1.359 1.00 0.00 C ATOM 1245 O THR A 86 -12.059 -6.774 -1.124 1.00 0.00 O ATOM 1246 CB THR A 86 -12.316 -4.848 -3.717 1.00 0.00 C ATOM 1247 OG1 THR A 86 -10.972 -5.133 -3.368 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.401 -3.364 -3.949 1.00 0.00 C ATOM 0 H THR A 86 -14.396 -3.639 -2.855 1.00 0.00 H new ATOM 0 HA THR A 86 -13.665 -6.345 -3.039 1.00 0.00 H new ATOM 0 HB THR A 86 -12.628 -5.346 -4.635 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.652 -4.466 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.684 -3.074 -4.717 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.408 -3.104 -4.276 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.173 -2.837 -3.022 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.441 -4.657 -0.513 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.761 -4.814 0.766 1.00 0.00 C ATOM 1258 C LEU A 87 -12.493 -5.856 1.590 1.00 0.00 C ATOM 1259 O LEU A 87 -11.885 -6.687 2.266 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.708 -3.480 1.511 1.00 0.00 C ATOM 1261 CG LEU A 87 -11.319 -2.282 0.646 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -11.920 -0.998 1.196 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -9.805 -2.168 0.546 1.00 0.00 C ATOM 0 H LEU A 87 -12.823 -3.727 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.736 -5.143 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.685 -3.288 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.996 -3.565 2.331 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.720 -2.439 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.629 -0.160 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.007 -1.082 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.556 -0.831 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.545 -1.310 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.383 -2.037 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.401 -3.075 0.097 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.813 -5.804 1.505 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.679 -6.735 2.212 1.00 0.00 C ATOM 1277 C ARG A 88 -14.733 -8.089 1.544 1.00 0.00 C ATOM 1278 O ARG A 88 -14.945 -9.098 2.216 1.00 0.00 O ATOM 1279 CB ARG A 88 -16.089 -6.158 2.346 1.00 0.00 C ATOM 1280 CG ARG A 88 -16.182 -4.995 3.320 1.00 0.00 C ATOM 1281 CD ARG A 88 -16.706 -5.443 4.674 1.00 0.00 C ATOM 1282 NE ARG A 88 -16.194 -4.613 5.762 1.00 0.00 N ATOM 1283 CZ ARG A 88 -14.978 -4.747 6.287 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -14.147 -5.674 5.827 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -14.591 -3.950 7.274 1.00 0.00 N ATOM 0 H ARG A 88 -14.314 -5.115 0.944 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.251 -6.878 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.432 -5.828 1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.766 -6.948 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.198 -4.541 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.839 -4.228 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.795 -5.406 4.671 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.423 -6.481 4.846 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.804 -3.889 6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.439 -6.289 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.217 -5.772 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.225 -3.235 7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.659 -4.052 7.677 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.594 -8.129 0.227 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.692 -9.394 -0.458 1.00 0.00 C ATOM 1301 C ASN A 89 -13.353 -9.970 -0.890 1.00 0.00 C ATOM 1302 O ASN A 89 -13.276 -11.125 -1.310 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.614 -9.256 -1.657 1.00 0.00 C ATOM 1304 CG ASN A 89 -16.937 -9.971 -1.463 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -17.283 -10.878 -2.219 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.685 -9.564 -0.443 1.00 0.00 N ATOM 0 H ASN A 89 -14.418 -7.320 -0.369 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.103 -10.102 0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -15.801 -8.199 -1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.116 -9.655 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.585 -10.008 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.359 -8.808 0.159 1.00 0.00 H new ATOM 1313 N THR A 90 -12.317 -9.169 -0.790 1.00 0.00 N ATOM 1314 CA THR A 90 -10.966 -9.590 -1.167 1.00 0.00 C ATOM 1315 C THR A 90 -10.723 -11.039 -0.770 1.00 0.00 C ATOM 1316 O THR A 90 -11.375 -11.560 0.137 1.00 0.00 O ATOM 1317 CB THR A 90 -9.917 -8.694 -0.506 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.402 -8.165 0.714 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.489 -7.535 -1.378 1.00 0.00 C ATOM 0 H THR A 90 -12.375 -8.210 -0.448 1.00 0.00 H new ATOM 0 HA THR A 90 -10.878 -9.500 -2.250 1.00 0.00 H new ATOM 0 HB THR A 90 -9.053 -9.337 -0.336 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.888 -7.332 0.539 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.744 -6.939 -0.851 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.059 -7.916 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.355 -6.914 -1.608 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.786 -11.689 -1.442 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.494 -13.073 -1.123 1.00 0.00 C ATOM 1329 C GLY A 91 -9.896 -14.038 -2.226 1.00 0.00 C ATOM 1330 O GLY A 91 -9.035 -14.693 -2.813 1.00 0.00 O ATOM 0 H GLY A 91 -9.227 -11.289 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.426 -13.177 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.013 -13.345 -0.204 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.203 -14.129 -2.517 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.697 -15.028 -3.573 1.00 0.00 C ATOM 1336 C GLN A 92 -10.673 -15.106 -4.697 1.00 0.00 C ATOM 1337 O GLN A 92 -10.353 -16.178 -5.208 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.039 -14.531 -4.115 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.959 -13.166 -4.778 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.320 -12.636 -5.187 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.124 -12.241 -4.343 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.584 -12.627 -6.488 1.00 0.00 N ATOM 0 H GLN A 92 -11.931 -13.597 -2.041 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.844 -16.022 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.420 -15.254 -4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.758 -14.487 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.489 -12.460 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.319 -13.230 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.887 -12.964 -7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.484 -12.283 -6.823 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.141 -13.942 -5.030 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.152 -13.763 -5.993 1.00 0.00 C ATOM 1353 C VAL A 93 -8.972 -12.283 -6.141 1.00 0.00 C ATOM 1354 O VAL A 93 -9.880 -11.570 -6.572 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.474 -14.428 -7.303 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.348 -13.564 -8.204 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.146 -14.727 -7.895 1.00 0.00 C ATOM 0 H VAL A 93 -10.428 -13.067 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.227 -14.243 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.072 -15.330 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.548 -14.095 -9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.290 -13.349 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.832 -12.629 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.280 -15.217 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.592 -13.799 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.590 -15.386 -7.228 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.850 -11.801 -5.671 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.634 -10.406 -5.646 1.00 0.00 C ATOM 1369 C VAL A 94 -6.474 -9.958 -6.492 1.00 0.00 C ATOM 1370 O VAL A 94 -5.379 -10.516 -6.475 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.384 -9.951 -4.236 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.962 -9.488 -4.178 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.365 -8.858 -3.805 1.00 0.00 C ATOM 0 H VAL A 94 -7.083 -12.365 -5.305 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.539 -9.959 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.546 -10.769 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.732 -9.146 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.300 -10.313 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.818 -8.668 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.148 -8.558 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.262 -7.996 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.384 -9.240 -3.864 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.748 -8.901 -7.165 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.775 -8.214 -7.993 1.00 0.00 C ATOM 1385 C HIS A 95 -5.823 -6.719 -7.746 1.00 0.00 C ATOM 1386 O HIS A 95 -6.848 -6.089 -7.988 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.992 -8.587 -9.436 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.617 -10.007 -9.620 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.361 -11.039 -9.129 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.500 -10.564 -10.102 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.694 -12.155 -9.304 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.580 -11.894 -9.905 1.00 0.00 N ATOM 0 H HIS A 95 -7.670 -8.465 -7.168 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.767 -8.530 -7.726 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.035 -8.432 -9.714 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.391 -7.950 -10.085 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.679 -10.039 -10.567 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.023 -13.136 -8.995 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.879 -12.580 -10.184 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.750 -6.146 -7.218 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.741 -4.769 -6.909 1.00 0.00 C ATOM 1403 C LEU A 96 -3.627 -3.969 -7.477 1.00 0.00 C ATOM 1404 O LEU A 96 -2.480 -4.339 -7.392 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.686 -4.593 -5.419 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.829 -3.789 -5.008 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.286 -4.118 -3.595 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.546 -2.305 -5.206 1.00 0.00 C ATOM 0 H LEU A 96 -3.883 -6.638 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.656 -4.394 -7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.706 -5.563 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.755 -4.105 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.668 -4.046 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.140 -3.493 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.574 -5.168 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.471 -3.929 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.413 -1.724 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.681 -2.017 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.341 -2.111 -6.259 1.00 0.00 H new ATOM 1420 N LEU A 97 -3.996 -2.801 -7.949 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.028 -1.851 -8.421 1.00 0.00 C ATOM 1422 C LEU A 97 -3.012 -0.666 -7.469 1.00 0.00 C ATOM 1423 O LEU A 97 -3.995 0.064 -7.355 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.366 -1.394 -9.828 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.863 -2.336 -10.896 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.394 -1.943 -12.267 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.342 -2.355 -10.877 1.00 0.00 C ATOM 0 H LEU A 97 -4.965 -2.489 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.043 -2.317 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.447 -1.294 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.939 -0.405 -9.994 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.230 -3.341 -10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.016 -2.638 -13.017 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.483 -1.976 -12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.063 -0.933 -12.509 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.977 -3.034 -11.647 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.963 -1.351 -11.069 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.995 -2.693 -9.901 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.898 -0.501 -6.776 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.746 0.577 -5.798 1.00 0.00 C ATOM 1441 C LEU A 98 -0.727 1.600 -6.230 1.00 0.00 C ATOM 1442 O LEU A 98 0.229 1.286 -6.929 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.339 -0.018 -4.457 1.00 0.00 C ATOM 1444 CG LEU A 98 0.064 0.332 -3.942 1.00 0.00 C ATOM 1445 CD1 LEU A 98 0.021 1.622 -3.132 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.560 -0.842 -3.129 1.00 0.00 C ATOM 0 H LEU A 98 -1.078 -1.101 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.704 1.089 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.065 0.301 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.413 -1.103 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 98 0.754 0.510 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.022 1.859 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.341 2.435 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.649 1.496 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.558 -0.625 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.118 -1.018 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.598 -1.731 -3.759 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.923 2.822 -5.763 1.00 0.00 N ATOM 1459 CA GLU A 99 0.010 3.897 -6.062 1.00 0.00 C ATOM 1460 C GLU A 99 0.601 4.462 -4.786 1.00 0.00 C ATOM 1461 O GLU A 99 -0.074 5.102 -3.981 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.621 5.010 -6.893 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.801 4.562 -7.739 1.00 0.00 C ATOM 1464 CD GLU A 99 -2.607 5.726 -8.280 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -3.101 6.535 -7.467 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -2.743 5.829 -9.518 1.00 0.00 O ATOM 0 H GLU A 99 -1.714 3.094 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 99 0.807 3.462 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.949 5.806 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.140 5.436 -7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.438 3.959 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.450 3.923 -7.141 1.00 0.00 H new ATOM 1473 N LYS A 100 1.873 4.184 -4.614 1.00 0.00 N ATOM 1474 CA LYS A 100 2.613 4.608 -3.448 1.00 0.00 C ATOM 1475 C LYS A 100 2.776 6.117 -3.384 1.00 0.00 C ATOM 1476 O LYS A 100 3.528 6.709 -4.159 1.00 0.00 O ATOM 1477 CB LYS A 100 3.968 3.916 -3.460 1.00 0.00 C ATOM 1478 CG LYS A 100 4.267 3.165 -2.177 1.00 0.00 C ATOM 1479 CD LYS A 100 3.149 2.185 -1.848 1.00 0.00 C ATOM 1480 CE LYS A 100 3.590 0.746 -2.047 1.00 0.00 C ATOM 1481 NZ LYS A 100 3.403 0.298 -3.456 1.00 0.00 N ATOM 0 H LYS A 100 2.428 3.653 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 100 2.053 4.325 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.006 3.220 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.747 4.660 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.210 2.627 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.389 3.872 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.830 2.329 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.285 2.392 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.640 0.646 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.022 0.097 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.099 -0.697 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.678 0.886 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.301 0.391 -3.972 1.00 0.00 H new ATOM 1495 N GLY A 101 2.073 6.729 -2.439 1.00 0.00 N ATOM 1496 CA GLY A 101 2.161 8.162 -2.270 1.00 0.00 C ATOM 1497 C GLY A 101 2.020 8.569 -0.822 1.00 0.00 C ATOM 1498 O GLY A 101 1.458 9.615 -0.506 1.00 0.00 O ATOM 0 H GLY A 101 1.445 6.257 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.118 8.515 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.383 8.646 -2.860 1.00 0.00 H new ATOM 1502 N GLN A 102 2.538 7.721 0.054 1.00 0.00 N ATOM 1503 CA GLN A 102 2.485 7.959 1.486 1.00 0.00 C ATOM 1504 C GLN A 102 3.220 9.245 1.861 1.00 0.00 C ATOM 1505 O GLN A 102 2.998 9.804 2.934 1.00 0.00 O ATOM 1506 CB GLN A 102 3.087 6.769 2.238 1.00 0.00 C ATOM 1507 CG GLN A 102 2.046 5.827 2.822 1.00 0.00 C ATOM 1508 CD GLN A 102 2.609 4.948 3.921 1.00 0.00 C ATOM 1509 OE1 GLN A 102 3.462 4.095 3.675 1.00 0.00 O ATOM 1510 NE2 GLN A 102 2.132 5.151 5.144 1.00 0.00 N ATOM 0 H GLN A 102 3.005 6.853 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 102 1.439 8.073 1.772 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.731 6.209 1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.720 7.142 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.215 6.410 3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.644 5.198 2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.425 5.869 5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.472 4.589 5.924 1.00 0.00 H new ATOM 1519 N SER A 103 4.097 9.707 0.972 1.00 0.00 N ATOM 1520 CA SER A 103 4.865 10.924 1.213 1.00 0.00 C ATOM 1521 C SER A 103 5.808 10.745 2.402 1.00 0.00 C ATOM 1522 O SER A 103 5.791 11.535 3.347 1.00 0.00 O ATOM 1523 CB SER A 103 3.926 12.108 1.459 1.00 0.00 C ATOM 1524 OG SER A 103 3.668 12.813 0.256 1.00 0.00 O ATOM 0 H SER A 103 4.293 9.256 0.078 1.00 0.00 H new ATOM 0 HA SER A 103 5.464 11.128 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.988 11.750 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 103 4.370 12.782 2.191 1.00 0.00 H new ATOM 0 HG SER A 103 3.065 13.563 0.439 1.00 0.00 H new ATOM 1530 N PRO A 104 6.649 9.696 2.370 1.00 0.00 N ATOM 1531 CA PRO A 104 7.603 9.411 3.444 1.00 0.00 C ATOM 1532 C PRO A 104 8.764 10.362 3.458 1.00 0.00 C ATOM 1533 O PRO A 104 9.913 9.980 3.230 1.00 0.00 O ATOM 1534 CB PRO A 104 8.062 7.987 3.139 1.00 0.00 C ATOM 1535 CG PRO A 104 7.938 7.876 1.660 1.00 0.00 C ATOM 1536 CD PRO A 104 6.736 8.702 1.282 1.00 0.00 C ATOM 0 HA PRO A 104 7.152 9.522 4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.088 7.820 3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 104 7.441 7.250 3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.836 8.244 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 104 7.809 6.837 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.866 9.179 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.834 8.094 1.220 1.00 0.00 H new ATOM 1544 N THR A 105 8.459 11.605 3.770 1.00 0.00 N ATOM 1545 CA THR A 105 9.478 12.611 3.867 1.00 0.00 C ATOM 1546 C THR A 105 8.902 13.933 4.365 1.00 0.00 C ATOM 1547 O THR A 105 9.307 15.007 3.920 1.00 0.00 O ATOM 1548 CB THR A 105 10.185 12.804 2.522 1.00 0.00 C ATOM 1549 OG1 THR A 105 9.364 12.361 1.456 1.00 0.00 O ATOM 1550 CG2 THR A 105 11.501 12.061 2.427 1.00 0.00 C ATOM 0 H THR A 105 7.513 11.935 3.959 1.00 0.00 H new ATOM 0 HA THR A 105 10.214 12.268 4.595 1.00 0.00 H new ATOM 0 HB THR A 105 10.383 13.873 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 105 9.649 11.467 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.950 12.240 1.450 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.176 12.415 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.326 10.993 2.556 1.00 0.00 H new ATOM 1558 N SER A 106 7.956 13.846 5.294 1.00 0.00 N ATOM 1559 CA SER A 106 7.324 15.034 5.856 1.00 0.00 C ATOM 1560 C SER A 106 7.071 14.860 7.350 1.00 0.00 C ATOM 1561 O SER A 106 7.379 15.744 8.149 1.00 0.00 O ATOM 1562 CB SER A 106 6.007 15.327 5.134 1.00 0.00 C ATOM 1563 OG SER A 106 6.206 16.220 4.052 1.00 0.00 O ATOM 0 H SER A 106 7.610 12.965 5.674 1.00 0.00 H new ATOM 0 HA SER A 106 8.002 15.876 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.575 14.396 4.767 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.291 15.755 5.836 1.00 0.00 H new ATOM 0 HG SER A 106 5.350 16.390 3.606 1.00 0.00 H new ATOM 1569 N LYS A 107 6.508 13.714 7.720 1.00 0.00 N ATOM 1570 CA LYS A 107 6.214 13.423 9.118 1.00 0.00 C ATOM 1571 C LYS A 107 7.193 12.398 9.678 1.00 0.00 C ATOM 1572 O LYS A 107 7.583 12.468 10.844 1.00 0.00 O ATOM 1573 CB LYS A 107 4.780 12.909 9.262 1.00 0.00 C ATOM 1574 CG LYS A 107 4.285 12.886 10.699 1.00 0.00 C ATOM 1575 CD LYS A 107 2.826 12.465 10.777 1.00 0.00 C ATOM 1576 CE LYS A 107 1.893 13.654 10.613 1.00 0.00 C ATOM 1577 NZ LYS A 107 1.936 14.206 9.230 1.00 0.00 N ATOM 0 H LYS A 107 6.246 12.972 7.071 1.00 0.00 H new ATOM 0 HA LYS A 107 6.320 14.347 9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.116 13.537 8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.720 11.902 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.895 12.199 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.404 13.875 11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.617 11.728 10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.636 11.982 11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.873 13.351 10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.169 14.433 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.049 14.710 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.736 14.865 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.054 13.428 8.549 1.00 0.00 H new ATOM 1591 N GLU A 108 7.588 11.445 8.840 1.00 0.00 N ATOM 1592 CA GLU A 108 8.523 10.403 9.251 1.00 0.00 C ATOM 1593 C GLU A 108 7.957 9.590 10.412 1.00 0.00 C ATOM 1594 O GLU A 108 8.707 8.767 10.977 1.00 0.00 O ATOM 1595 CB GLU A 108 9.863 11.022 9.653 1.00 0.00 C ATOM 1596 CG GLU A 108 10.674 11.535 8.475 1.00 0.00 C ATOM 1597 CD GLU A 108 12.132 11.762 8.825 1.00 0.00 C ATOM 1598 OE1 GLU A 108 12.420 12.060 10.004 1.00 0.00 O ATOM 1599 OE2 GLU A 108 12.986 11.641 7.922 1.00 0.00 O ATOM 1600 OXT GLU A 108 6.770 9.786 10.745 1.00 0.00 O ATOM 0 H GLU A 108 7.275 11.373 7.872 1.00 0.00 H new ATOM 0 HA GLU A 108 8.678 9.734 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.681 11.845 10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.450 10.278 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.608 10.820 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.240 12.469 8.119 1.00 0.00 H new TER 1607 GLU A 108