USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 819 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 187 HIS :FLIP no HD1:sc= -3.75 F(o=-5.5,f=-3.8) USER MOD Set 1.2: A 206 MET CE :methyl -175:sc=-0.00691 (180deg=-0.0552) USER MOD Set 2.1: A 162 TYR OH : rot 152:sc= 0.0101 USER MOD Set 2.2: A 186 GLN : amide:sc= -0.0633 X(o=-0.053,f=0.33) USER MOD Set 2.3: A 190 THR OG1 : rot -149:sc= 0 USER MOD Set 3.1: A 171 ASN : amide:sc= 1.51 K(o=1.6,f=-5!) USER MOD Set 3.2: A 174 THR OG1 : rot 65:sc= 0.109! USER MOD Set 4.1: A 150 TYR OH : rot 168:sc= 1.31 USER MOD Set 4.2: A 154 MET CE :methyl -135:sc= -0.312 (180deg=-2.52!) USER MOD Single : A 128 TYR OH : rot 3:sc= 1.25 USER MOD Single : A 129 MET CE :methyl 171:sc= -1.57 (180deg=-1.75) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl -172:sc= -1.9 (180deg=-2.28) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 MET CE :methyl 178:sc= 0 (180deg=-0.00422) USER MOD Single : A 140 HIS : no HD1:sc=-0.000752 X(o=-0.00075,f=-0.14) USER MOD Single : A 143 ASN : amide:sc= 0.365 X(o=0.37,f=0) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= 1.17 K(o=1.2,f=-5.6!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 TYR OH : rot 8:sc= 1.26 USER MOD Single : A 159 ASN : amide:sc= -0.0121 K(o=-0.012,f=-2!) USER MOD Single : A 160 GLN : amide:sc= 0.589 K(o=0.59,f=-0.069) USER MOD Single : A 163 TYR OH : rot -108:sc= 1.28 USER MOD Single : A 168 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.0023) USER MOD Single : A 169 TYR OH : rot 109:sc= 0.632 USER MOD Single : A 170 ASN : amide:sc= 0.166 K(o=0.17,f=-2.2!) USER MOD Single : A 172 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.21) USER MOD Single : A 173 ASN : amide:sc= -0.0638 X(o=-0.064,f=0) USER MOD Single : A 177 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0.023) USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 183 THR OG1 : rot 66:sc= 1.61 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 THR OG1 : rot -43:sc= 0.0129 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot 80:sc= 0.934 USER MOD Single : A 193 THR OG1 : rot 17:sc= 0.689 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc= -0.0379 X(o=-0.038,f=-0.39) USER MOD Single : A 199 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 201 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ -118:sc= 1.32 (180deg=-0.281) USER MOD Single : A 205 MET CE :methyl 172:sc= -0.165 (180deg=-0.216) USER MOD Single : A 212 GLN : amide:sc= -0.723 K(o=-0.72,f=-3.7!) USER MOD Single : A 213 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.3) USER MOD Single : A 220 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0643) USER MOD Single : A 222 SER OG : rot -56:sc= 0.933 USER MOD Single : A 223 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.75) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N LEU A 125 6.139 -14.294 -0.046 1.00 0.00 N ATOM 48 CA LEU A 125 6.520 -12.974 0.433 1.00 0.00 C ATOM 49 C LEU A 125 8.023 -12.898 0.739 1.00 0.00 C ATOM 50 O LEU A 125 8.460 -12.959 1.893 1.00 0.00 O ATOM 51 CB LEU A 125 5.637 -12.617 1.624 1.00 0.00 C ATOM 52 CG LEU A 125 5.157 -11.168 1.660 1.00 0.00 C ATOM 53 CD1 LEU A 125 3.727 -11.087 1.086 1.00 0.00 C ATOM 54 CD2 LEU A 125 5.276 -10.776 3.126 1.00 0.00 C ATOM 0 HA LEU A 125 6.355 -12.229 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.766 -13.272 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.189 -12.824 2.541 1.00 0.00 H new ATOM 0 HG LEU A 125 5.735 -10.477 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.383 -10.053 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.727 -11.444 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.059 -11.706 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.951 -9.743 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.648 -11.431 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.314 -10.872 3.445 1.00 0.00 H new ATOM 66 N GLY A 126 8.814 -12.753 -0.321 1.00 0.00 N ATOM 67 CA GLY A 126 10.268 -12.669 -0.316 1.00 0.00 C ATOM 68 C GLY A 126 10.761 -11.378 0.331 1.00 0.00 C ATOM 69 O GLY A 126 11.167 -10.442 -0.356 1.00 0.00 O ATOM 0 H GLY A 126 8.431 -12.687 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 126 10.679 -13.524 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.639 -12.727 -1.339 1.00 0.00 H new ATOM 73 N GLY A 127 10.707 -11.330 1.661 1.00 0.00 N ATOM 74 CA GLY A 127 11.376 -10.326 2.477 1.00 0.00 C ATOM 75 C GLY A 127 10.703 -8.955 2.535 1.00 0.00 C ATOM 76 O GLY A 127 11.322 -8.012 3.031 1.00 0.00 O ATOM 0 H GLY A 127 10.182 -12.008 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.462 -10.710 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.390 -10.196 2.099 1.00 0.00 H new ATOM 80 N TYR A 128 9.471 -8.841 2.034 1.00 0.00 N ATOM 81 CA TYR A 128 8.705 -7.607 1.934 1.00 0.00 C ATOM 82 C TYR A 128 8.565 -6.918 3.298 1.00 0.00 C ATOM 83 O TYR A 128 7.895 -7.430 4.195 1.00 0.00 O ATOM 84 CB TYR A 128 7.355 -7.888 1.250 1.00 0.00 C ATOM 85 CG TYR A 128 7.496 -8.070 -0.253 1.00 0.00 C ATOM 86 CD1 TYR A 128 7.425 -6.959 -1.118 1.00 0.00 C ATOM 87 CD2 TYR A 128 7.705 -9.348 -0.795 1.00 0.00 C ATOM 88 CE1 TYR A 128 7.538 -7.124 -2.512 1.00 0.00 C ATOM 89 CE2 TYR A 128 7.805 -9.525 -2.184 1.00 0.00 C ATOM 90 CZ TYR A 128 7.717 -8.417 -3.058 1.00 0.00 C ATOM 91 OH TYR A 128 7.820 -8.603 -4.406 1.00 0.00 O ATOM 0 H TYR A 128 8.961 -9.647 1.672 1.00 0.00 H new ATOM 0 HA TYR A 128 9.245 -6.897 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 128 6.911 -8.785 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 128 6.670 -7.064 1.451 1.00 0.00 H new ATOM 0 HD1 TYR A 128 7.282 -5.970 -0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.789 -10.201 -0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 128 7.488 -6.264 -3.164 1.00 0.00 H new ATOM 0 HE2 TYR A 128 7.950 -10.516 -2.588 1.00 0.00 H new ATOM 0 HH TYR A 128 7.801 -7.734 -4.859 1.00 0.00 H new ATOM 101 N MET A 129 9.229 -5.772 3.454 1.00 0.00 N ATOM 102 CA MET A 129 9.206 -4.930 4.649 1.00 0.00 C ATOM 103 C MET A 129 7.924 -4.107 4.676 1.00 0.00 C ATOM 104 O MET A 129 7.332 -3.873 3.622 1.00 0.00 O ATOM 105 CB MET A 129 10.384 -3.953 4.602 1.00 0.00 C ATOM 106 CG MET A 129 11.744 -4.653 4.530 1.00 0.00 C ATOM 107 SD MET A 129 13.013 -3.651 3.727 1.00 0.00 S ATOM 108 CE MET A 129 12.431 -3.729 2.014 1.00 0.00 C ATOM 0 H MET A 129 9.823 -5.389 2.718 1.00 0.00 H new ATOM 0 HA MET A 129 9.266 -5.569 5.530 1.00 0.00 H new ATOM 0 HB2 MET A 129 10.272 -3.300 3.736 1.00 0.00 H new ATOM 0 HB3 MET A 129 10.356 -3.317 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 129 12.071 -4.903 5.539 1.00 0.00 H new ATOM 0 HG3 MET A 129 11.634 -5.593 3.988 1.00 0.00 H new ATOM 0 HE1 MET A 129 13.006 -3.034 1.402 1.00 0.00 H new ATOM 0 HE2 MET A 129 12.561 -4.741 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 129 11.376 -3.459 1.976 1.00 0.00 H new ATOM 118 N LEU A 130 7.513 -3.620 5.851 1.00 0.00 N ATOM 119 CA LEU A 130 6.274 -2.860 6.016 1.00 0.00 C ATOM 120 C LEU A 130 6.586 -1.397 6.314 1.00 0.00 C ATOM 121 O LEU A 130 7.421 -1.096 7.163 1.00 0.00 O ATOM 122 CB LEU A 130 5.398 -3.503 7.101 1.00 0.00 C ATOM 123 CG LEU A 130 3.981 -2.902 7.139 1.00 0.00 C ATOM 124 CD1 LEU A 130 3.178 -3.206 5.861 1.00 0.00 C ATOM 125 CD2 LEU A 130 3.222 -3.468 8.341 1.00 0.00 C ATOM 0 H LEU A 130 8.035 -3.744 6.718 1.00 0.00 H new ATOM 0 HA LEU A 130 5.707 -2.885 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.331 -4.576 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.872 -3.371 8.073 1.00 0.00 H new ATOM 0 HG LEU A 130 4.091 -1.820 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.187 -2.760 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.696 -2.789 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.082 -4.285 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.218 -3.044 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.155 -4.552 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.751 -3.212 9.259 1.00 0.00 H new ATOM 137 N GLY A 131 5.958 -0.489 5.570 1.00 0.00 N ATOM 138 CA GLY A 131 6.268 0.930 5.563 1.00 0.00 C ATOM 139 C GLY A 131 5.866 1.615 6.851 1.00 0.00 C ATOM 140 O GLY A 131 4.818 1.322 7.412 1.00 0.00 O ATOM 0 H GLY A 131 5.196 -0.733 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 131 7.338 1.065 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 131 5.757 1.407 4.726 1.00 0.00 H new ATOM 144 N SER A 132 6.649 2.618 7.234 1.00 0.00 N ATOM 145 CA SER A 132 6.644 3.449 8.423 1.00 0.00 C ATOM 146 C SER A 132 5.325 4.007 8.965 1.00 0.00 C ATOM 147 O SER A 132 5.305 4.483 10.099 1.00 0.00 O ATOM 148 CB SER A 132 7.513 4.628 8.011 1.00 0.00 C ATOM 149 OG SER A 132 8.899 4.331 8.032 1.00 0.00 O ATOM 0 H SER A 132 7.413 2.904 6.622 1.00 0.00 H new ATOM 0 HA SER A 132 6.965 2.814 9.249 1.00 0.00 H new ATOM 0 HB2 SER A 132 7.231 4.947 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 132 7.317 5.467 8.679 1.00 0.00 H new ATOM 0 HG SER A 132 9.407 5.123 7.757 1.00 0.00 H new ATOM 155 N ALA A 133 4.263 4.001 8.162 1.00 0.00 N ATOM 156 CA ALA A 133 2.893 4.457 8.356 1.00 0.00 C ATOM 157 C ALA A 133 2.708 5.868 7.804 1.00 0.00 C ATOM 158 O ALA A 133 3.645 6.679 7.826 1.00 0.00 O ATOM 159 CB ALA A 133 2.423 4.399 9.808 1.00 0.00 C ATOM 0 H ALA A 133 4.364 3.618 7.222 1.00 0.00 H new ATOM 0 HA ALA A 133 2.269 3.757 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 133 1.394 4.754 9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 133 2.475 3.371 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 133 3.064 5.031 10.423 1.00 0.00 H new ATOM 165 N MET A 134 1.490 6.158 7.353 1.00 0.00 N ATOM 166 CA MET A 134 1.043 7.424 6.795 1.00 0.00 C ATOM 167 C MET A 134 -0.418 7.677 7.176 1.00 0.00 C ATOM 168 O MET A 134 -1.155 6.769 7.581 1.00 0.00 O ATOM 169 CB MET A 134 1.167 7.383 5.264 1.00 0.00 C ATOM 170 CG MET A 134 2.591 7.605 4.755 1.00 0.00 C ATOM 171 SD MET A 134 2.764 7.354 2.965 1.00 0.00 S ATOM 172 CE MET A 134 3.378 5.655 2.988 1.00 0.00 C ATOM 0 H MET A 134 0.741 5.465 7.371 1.00 0.00 H new ATOM 0 HA MET A 134 1.664 8.227 7.194 1.00 0.00 H new ATOM 0 HB2 MET A 134 0.809 6.418 4.905 1.00 0.00 H new ATOM 0 HB3 MET A 134 0.515 8.144 4.835 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.904 8.619 5.004 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.265 6.926 5.277 1.00 0.00 H new ATOM 0 HE1 MET A 134 3.682 5.364 1.982 1.00 0.00 H new ATOM 0 HE2 MET A 134 4.234 5.586 3.660 1.00 0.00 H new ATOM 0 HE3 MET A 134 2.589 4.988 3.336 1.00 0.00 H new ATOM 182 N SER A 135 -0.855 8.918 6.989 1.00 0.00 N ATOM 183 CA SER A 135 -2.228 9.365 7.163 1.00 0.00 C ATOM 184 C SER A 135 -3.087 8.916 5.979 1.00 0.00 C ATOM 185 O SER A 135 -2.594 8.244 5.067 1.00 0.00 O ATOM 186 CB SER A 135 -2.257 10.887 7.337 1.00 0.00 C ATOM 187 OG SER A 135 -3.276 11.247 8.243 1.00 0.00 O ATOM 0 H SER A 135 -0.232 9.672 6.699 1.00 0.00 H new ATOM 0 HA SER A 135 -2.647 8.913 8.062 1.00 0.00 H new ATOM 0 HB2 SER A 135 -1.292 11.238 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 135 -2.427 11.369 6.374 1.00 0.00 H new ATOM 0 HG SER A 135 -3.288 12.221 8.351 1.00 0.00 H new ATOM 193 N ARG A 136 -4.383 9.234 6.007 1.00 0.00 N ATOM 194 CA ARG A 136 -5.339 8.844 4.975 1.00 0.00 C ATOM 195 C ARG A 136 -5.589 10.076 4.091 1.00 0.00 C ATOM 196 O ARG A 136 -6.345 10.957 4.508 1.00 0.00 O ATOM 197 CB ARG A 136 -6.640 8.318 5.610 1.00 0.00 C ATOM 198 CG ARG A 136 -6.416 7.155 6.595 1.00 0.00 C ATOM 199 CD ARG A 136 -7.758 6.495 6.928 1.00 0.00 C ATOM 200 NE ARG A 136 -7.685 5.435 7.945 1.00 0.00 N ATOM 201 CZ ARG A 136 -7.299 4.171 7.754 1.00 0.00 C ATOM 202 NH1 ARG A 136 -6.663 3.820 6.646 1.00 0.00 N ATOM 203 NH2 ARG A 136 -7.538 3.235 8.664 1.00 0.00 N ATOM 0 H ARG A 136 -4.802 9.779 6.761 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.945 8.030 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -7.137 9.136 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -7.314 7.989 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.737 6.422 6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.945 7.523 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -8.450 7.263 7.273 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -8.178 6.075 6.014 1.00 0.00 H new ATOM 0 HE ARG A 136 -7.957 5.692 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.464 4.518 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.372 2.852 6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -8.024 3.476 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -7.235 2.275 8.500 1.00 0.00 H new ATOM 217 N PRO A 137 -4.907 10.217 2.942 1.00 0.00 N ATOM 218 CA PRO A 137 -4.972 11.427 2.132 1.00 0.00 C ATOM 219 C PRO A 137 -6.311 11.594 1.414 1.00 0.00 C ATOM 220 O PRO A 137 -7.037 10.618 1.207 1.00 0.00 O ATOM 221 CB PRO A 137 -3.844 11.298 1.112 1.00 0.00 C ATOM 222 CG PRO A 137 -3.647 9.800 0.978 1.00 0.00 C ATOM 223 CD PRO A 137 -3.967 9.271 2.364 1.00 0.00 C ATOM 0 HA PRO A 137 -4.871 12.307 2.768 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -4.113 11.753 0.159 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -2.935 11.792 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -4.309 9.375 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -2.627 9.555 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -4.400 8.272 2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -3.065 9.195 2.971 1.00 0.00 H new ATOM 231 N MET A 138 -6.577 12.820 0.954 1.00 0.00 N ATOM 232 CA MET A 138 -7.702 13.151 0.095 1.00 0.00 C ATOM 233 C MET A 138 -7.269 12.885 -1.344 1.00 0.00 C ATOM 234 O MET A 138 -6.667 13.727 -2.018 1.00 0.00 O ATOM 235 CB MET A 138 -8.135 14.605 0.358 1.00 0.00 C ATOM 236 CG MET A 138 -9.353 15.048 -0.461 1.00 0.00 C ATOM 237 SD MET A 138 -10.821 13.983 -0.421 1.00 0.00 S ATOM 238 CE MET A 138 -11.096 13.788 1.351 1.00 0.00 C ATOM 0 H MET A 138 -5.996 13.627 1.179 1.00 0.00 H new ATOM 0 HA MET A 138 -8.580 12.538 0.300 1.00 0.00 H new ATOM 0 HB2 MET A 138 -8.361 14.720 1.418 1.00 0.00 H new ATOM 0 HB3 MET A 138 -7.299 15.269 0.136 1.00 0.00 H new ATOM 0 HG2 MET A 138 -9.647 16.040 -0.117 1.00 0.00 H new ATOM 0 HG3 MET A 138 -9.040 15.151 -1.500 1.00 0.00 H new ATOM 0 HE1 MET A 138 -11.989 13.185 1.516 1.00 0.00 H new ATOM 0 HE2 MET A 138 -10.235 13.293 1.800 1.00 0.00 H new ATOM 0 HE3 MET A 138 -11.230 14.768 1.808 1.00 0.00 H new ATOM 248 N ILE A 139 -7.493 11.654 -1.785 1.00 0.00 N ATOM 249 CA ILE A 139 -7.188 11.188 -3.129 1.00 0.00 C ATOM 250 C ILE A 139 -8.228 11.844 -4.024 1.00 0.00 C ATOM 251 O ILE A 139 -9.421 11.687 -3.777 1.00 0.00 O ATOM 252 CB ILE A 139 -7.309 9.650 -3.185 1.00 0.00 C ATOM 253 CG1 ILE A 139 -6.404 8.950 -2.134 1.00 0.00 C ATOM 254 CG2 ILE A 139 -7.087 9.090 -4.599 1.00 0.00 C ATOM 255 CD1 ILE A 139 -5.012 8.547 -2.627 1.00 0.00 C ATOM 0 H ILE A 139 -7.905 10.930 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 139 -6.175 11.443 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 139 -8.340 9.418 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -6.289 9.616 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -6.916 8.057 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -7.184 8.004 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -7.831 9.509 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -6.089 9.359 -4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -4.464 8.067 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -5.109 7.852 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -4.471 9.435 -2.955 1.00 0.00 H new ATOM 267 N HIS A 140 -7.828 12.575 -5.057 1.00 0.00 N ATOM 268 CA HIS A 140 -8.795 13.034 -6.043 1.00 0.00 C ATOM 269 C HIS A 140 -9.148 11.849 -6.938 1.00 0.00 C ATOM 270 O HIS A 140 -8.504 11.603 -7.963 1.00 0.00 O ATOM 271 CB HIS A 140 -8.271 14.256 -6.796 1.00 0.00 C ATOM 272 CG HIS A 140 -8.224 15.498 -5.938 1.00 0.00 C ATOM 273 ND1 HIS A 140 -8.412 15.575 -4.570 1.00 0.00 N ATOM 274 CD2 HIS A 140 -8.094 16.774 -6.407 1.00 0.00 C ATOM 275 CE1 HIS A 140 -8.418 16.870 -4.221 1.00 0.00 C ATOM 276 NE2 HIS A 140 -8.213 17.638 -5.310 1.00 0.00 N ATOM 0 H HIS A 140 -6.863 12.857 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 140 -9.713 13.379 -5.568 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -7.271 14.043 -7.173 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -8.906 14.443 -7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -7.930 17.064 -7.434 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -8.565 17.242 -3.218 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -8.155 18.656 -5.331 1.00 0.00 H new ATOM 284 N PHE A 141 -10.163 11.086 -6.538 1.00 0.00 N ATOM 285 CA PHE A 141 -10.820 10.133 -7.404 1.00 0.00 C ATOM 286 C PHE A 141 -11.570 10.919 -8.472 1.00 0.00 C ATOM 287 O PHE A 141 -11.683 10.490 -9.616 1.00 0.00 O ATOM 288 CB PHE A 141 -11.809 9.299 -6.607 1.00 0.00 C ATOM 289 CG PHE A 141 -11.131 8.247 -5.772 1.00 0.00 C ATOM 290 CD1 PHE A 141 -10.758 7.040 -6.383 1.00 0.00 C ATOM 291 CD2 PHE A 141 -10.818 8.484 -4.422 1.00 0.00 C ATOM 292 CE1 PHE A 141 -10.086 6.061 -5.640 1.00 0.00 C ATOM 293 CE2 PHE A 141 -10.171 7.487 -3.676 1.00 0.00 C ATOM 294 CZ PHE A 141 -9.801 6.274 -4.277 1.00 0.00 C ATOM 0 H PHE A 141 -10.549 11.119 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 141 -10.086 9.465 -7.855 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -12.392 9.953 -5.959 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -12.510 8.820 -7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -10.989 6.866 -7.424 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -11.074 9.427 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.785 5.139 -6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -9.956 7.655 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 141 -9.302 5.510 -3.699 1.00 0.00 H new ATOM 304 N GLY A 142 -12.085 12.091 -8.096 1.00 0.00 N ATOM 305 CA GLY A 142 -12.823 12.994 -8.948 1.00 0.00 C ATOM 306 C GLY A 142 -14.288 12.589 -8.991 1.00 0.00 C ATOM 307 O GLY A 142 -15.160 13.436 -8.788 1.00 0.00 O ATOM 0 H GLY A 142 -11.988 12.442 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -12.730 14.015 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.404 12.981 -9.954 1.00 0.00 H new ATOM 311 N ASN A 143 -14.573 11.305 -9.220 1.00 0.00 N ATOM 312 CA ASN A 143 -15.919 10.793 -9.365 1.00 0.00 C ATOM 313 C ASN A 143 -16.590 10.876 -8.007 1.00 0.00 C ATOM 314 O ASN A 143 -15.987 10.407 -7.044 1.00 0.00 O ATOM 315 CB ASN A 143 -15.863 9.333 -9.825 1.00 0.00 C ATOM 316 CG ASN A 143 -17.005 9.069 -10.756 1.00 0.00 C ATOM 317 OD1 ASN A 143 -16.996 9.465 -11.917 1.00 0.00 O ATOM 318 ND2 ASN A 143 -18.044 8.457 -10.235 1.00 0.00 N ATOM 0 H ASN A 143 -13.855 10.586 -9.310 1.00 0.00 H new ATOM 0 HA ASN A 143 -16.475 11.371 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -14.916 9.132 -10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -15.917 8.665 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -18.878 8.298 -10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -18.017 8.141 -9.266 1.00 0.00 H new ATOM 325 N ASP A 144 -17.795 11.446 -7.923 1.00 0.00 N ATOM 326 CA ASP A 144 -18.387 11.888 -6.651 1.00 0.00 C ATOM 327 C ASP A 144 -18.300 10.788 -5.605 1.00 0.00 C ATOM 328 O ASP A 144 -17.750 11.002 -4.525 1.00 0.00 O ATOM 329 CB ASP A 144 -19.826 12.435 -6.805 1.00 0.00 C ATOM 330 CG ASP A 144 -20.911 11.536 -6.197 1.00 0.00 C ATOM 331 OD1 ASP A 144 -21.208 11.647 -4.986 1.00 0.00 O ATOM 332 OD2 ASP A 144 -21.439 10.666 -6.933 1.00 0.00 O ATOM 0 H ASP A 144 -18.390 11.616 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 144 -17.794 12.733 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -19.881 13.418 -6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -20.038 12.574 -7.865 1.00 0.00 H new ATOM 337 N TRP A 145 -18.772 9.592 -5.954 1.00 0.00 N ATOM 338 CA TRP A 145 -18.818 8.506 -5.010 1.00 0.00 C ATOM 339 C TRP A 145 -17.457 7.855 -4.843 1.00 0.00 C ATOM 340 O TRP A 145 -17.175 7.424 -3.739 1.00 0.00 O ATOM 341 CB TRP A 145 -19.851 7.461 -5.390 1.00 0.00 C ATOM 342 CG TRP A 145 -19.442 6.592 -6.532 1.00 0.00 C ATOM 343 CD1 TRP A 145 -19.537 6.890 -7.845 1.00 0.00 C ATOM 344 CD2 TRP A 145 -18.688 5.348 -6.454 1.00 0.00 C ATOM 345 NE1 TRP A 145 -19.000 5.854 -8.576 1.00 0.00 N ATOM 346 CE2 TRP A 145 -18.402 4.911 -7.774 1.00 0.00 C ATOM 347 CE3 TRP A 145 -18.140 4.599 -5.395 1.00 0.00 C ATOM 348 CZ2 TRP A 145 -17.625 3.777 -8.035 1.00 0.00 C ATOM 349 CZ3 TRP A 145 -17.317 3.488 -5.640 1.00 0.00 C ATOM 350 CH2 TRP A 145 -17.069 3.071 -6.960 1.00 0.00 C ATOM 0 H TRP A 145 -19.124 9.363 -6.884 1.00 0.00 H new ATOM 0 HA TRP A 145 -19.115 8.941 -4.056 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -20.053 6.833 -4.523 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -20.784 7.963 -5.645 1.00 0.00 H new ATOM 0 HD1 TRP A 145 -19.964 7.793 -8.255 1.00 0.00 H new ATOM 0 HE1 TRP A 145 -19.041 5.793 -9.593 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -18.357 4.884 -4.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 -17.456 3.451 -9.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -16.874 2.953 -4.813 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -16.450 2.206 -7.145 1.00 0.00 H new ATOM 361 N GLU A 146 -16.606 7.769 -5.874 1.00 0.00 N ATOM 362 CA GLU A 146 -15.305 7.112 -5.707 1.00 0.00 C ATOM 363 C GLU A 146 -14.507 7.891 -4.649 1.00 0.00 C ATOM 364 O GLU A 146 -13.720 7.312 -3.914 1.00 0.00 O ATOM 365 CB GLU A 146 -14.519 7.012 -7.032 1.00 0.00 C ATOM 366 CG GLU A 146 -15.173 6.012 -7.999 1.00 0.00 C ATOM 367 CD GLU A 146 -14.410 5.754 -9.306 1.00 0.00 C ATOM 368 OE1 GLU A 146 -14.109 6.725 -10.029 1.00 0.00 O ATOM 369 OE2 GLU A 146 -14.177 4.566 -9.655 1.00 0.00 O ATOM 0 H GLU A 146 -16.788 8.136 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 146 -15.468 6.085 -5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -14.468 7.994 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.494 6.704 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -15.299 5.062 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -16.171 6.374 -8.248 1.00 0.00 H new ATOM 376 N ASP A 147 -14.763 9.199 -4.537 1.00 0.00 N ATOM 377 CA ASP A 147 -14.173 10.124 -3.586 1.00 0.00 C ATOM 378 C ASP A 147 -14.924 10.024 -2.255 1.00 0.00 C ATOM 379 O ASP A 147 -14.325 9.914 -1.186 1.00 0.00 O ATOM 380 CB ASP A 147 -14.272 11.535 -4.199 1.00 0.00 C ATOM 381 CG ASP A 147 -12.952 12.297 -4.166 1.00 0.00 C ATOM 382 OD1 ASP A 147 -12.600 12.828 -3.090 1.00 0.00 O ATOM 383 OD2 ASP A 147 -12.302 12.442 -5.227 1.00 0.00 O ATOM 0 H ASP A 147 -15.433 9.661 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 147 -13.127 9.892 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -14.611 11.453 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -15.028 12.106 -3.660 1.00 0.00 H new ATOM 388 N ARG A 148 -16.262 10.047 -2.306 1.00 0.00 N ATOM 389 CA ARG A 148 -17.120 10.099 -1.139 1.00 0.00 C ATOM 390 C ARG A 148 -17.112 8.780 -0.378 1.00 0.00 C ATOM 391 O ARG A 148 -16.774 8.740 0.801 1.00 0.00 O ATOM 392 CB ARG A 148 -18.535 10.490 -1.573 1.00 0.00 C ATOM 393 CG ARG A 148 -19.446 10.691 -0.372 1.00 0.00 C ATOM 394 CD ARG A 148 -20.866 10.914 -0.881 1.00 0.00 C ATOM 395 NE ARG A 148 -21.835 11.112 0.200 1.00 0.00 N ATOM 396 CZ ARG A 148 -23.142 10.855 0.107 1.00 0.00 C ATOM 397 NH1 ARG A 148 -23.681 10.435 -1.033 1.00 0.00 N ATOM 398 NH2 ARG A 148 -23.899 11.036 1.182 1.00 0.00 N ATOM 0 H ARG A 148 -16.779 10.029 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 148 -16.738 10.854 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -18.497 11.407 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -18.947 9.714 -2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -19.409 9.820 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -19.115 11.546 0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -20.879 11.784 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -21.170 10.057 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 148 -21.486 11.472 1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -23.094 10.304 -1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -24.682 10.244 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -23.479 11.364 2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -24.900 10.847 1.138 1.00 0.00 H new ATOM 412 N TYR A 149 -17.510 7.700 -1.046 1.00 0.00 N ATOM 413 CA TYR A 149 -17.493 6.334 -0.564 1.00 0.00 C ATOM 414 C TYR A 149 -16.145 6.010 0.061 1.00 0.00 C ATOM 415 O TYR A 149 -16.115 5.343 1.096 1.00 0.00 O ATOM 416 CB TYR A 149 -17.795 5.378 -1.716 1.00 0.00 C ATOM 417 CG TYR A 149 -17.912 3.923 -1.339 1.00 0.00 C ATOM 418 CD1 TYR A 149 -19.099 3.443 -0.772 1.00 0.00 C ATOM 419 CD2 TYR A 149 -16.852 3.046 -1.616 1.00 0.00 C ATOM 420 CE1 TYR A 149 -19.240 2.067 -0.517 1.00 0.00 C ATOM 421 CE2 TYR A 149 -16.974 1.669 -1.378 1.00 0.00 C ATOM 422 CZ TYR A 149 -18.184 1.176 -0.830 1.00 0.00 C ATOM 423 OH TYR A 149 -18.370 -0.156 -0.641 1.00 0.00 O ATOM 0 H TYR A 149 -17.874 7.767 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 149 -18.260 6.216 0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -18.727 5.689 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -17.009 5.479 -2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -19.901 4.125 -0.532 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -15.929 3.437 -2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -20.154 1.689 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -16.161 0.997 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 149 -17.558 -0.640 -0.901 1.00 0.00 H new ATOM 433 N TYR A 150 -15.054 6.498 -0.540 1.00 0.00 N ATOM 434 CA TYR A 150 -13.731 6.398 0.039 1.00 0.00 C ATOM 435 C TYR A 150 -13.664 7.130 1.379 1.00 0.00 C ATOM 436 O TYR A 150 -13.433 6.467 2.387 1.00 0.00 O ATOM 437 CB TYR A 150 -12.657 6.897 -0.935 1.00 0.00 C ATOM 438 CG TYR A 150 -11.329 7.177 -0.266 1.00 0.00 C ATOM 439 CD1 TYR A 150 -10.528 6.124 0.204 1.00 0.00 C ATOM 440 CD2 TYR A 150 -10.926 8.505 -0.061 1.00 0.00 C ATOM 441 CE1 TYR A 150 -9.321 6.404 0.867 1.00 0.00 C ATOM 442 CE2 TYR A 150 -9.707 8.796 0.566 1.00 0.00 C ATOM 443 CZ TYR A 150 -8.892 7.743 1.036 1.00 0.00 C ATOM 444 OH TYR A 150 -7.718 8.023 1.665 1.00 0.00 O ATOM 0 H TYR A 150 -15.075 6.972 -1.443 1.00 0.00 H new ATOM 0 HA TYR A 150 -13.526 5.345 0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -12.512 6.153 -1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -13.011 7.806 -1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -10.839 5.100 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -11.563 9.313 -0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -8.718 5.594 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -9.392 9.822 0.689 1.00 0.00 H new ATOM 0 HH TYR A 150 -7.489 8.966 1.526 1.00 0.00 H new ATOM 454 N ARG A 151 -13.853 8.458 1.438 1.00 0.00 N ATOM 455 CA ARG A 151 -13.675 9.193 2.700 1.00 0.00 C ATOM 456 C ARG A 151 -14.594 8.691 3.813 1.00 0.00 C ATOM 457 O ARG A 151 -14.231 8.766 4.984 1.00 0.00 O ATOM 458 CB ARG A 151 -13.785 10.714 2.502 1.00 0.00 C ATOM 459 CG ARG A 151 -15.148 11.220 2.013 1.00 0.00 C ATOM 460 CD ARG A 151 -15.225 12.750 2.039 1.00 0.00 C ATOM 461 NE ARG A 151 -16.399 13.261 1.306 1.00 0.00 N ATOM 462 CZ ARG A 151 -17.105 14.364 1.581 1.00 0.00 C ATOM 463 NH1 ARG A 151 -16.799 15.126 2.626 1.00 0.00 N ATOM 464 NH2 ARG A 151 -18.117 14.718 0.796 1.00 0.00 N ATOM 0 H ARG A 151 -14.124 9.036 0.642 1.00 0.00 H new ATOM 0 HA ARG A 151 -12.657 8.987 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -13.553 11.204 3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -13.024 11.026 1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -15.326 10.864 0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -15.937 10.805 2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -15.267 13.093 3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -14.317 13.165 1.602 1.00 0.00 H new ATOM 0 HE ARG A 151 -16.706 12.714 0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -16.017 14.873 3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -17.346 15.964 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -18.356 14.149 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -18.655 15.559 1.006 1.00 0.00 H new ATOM 478 N GLU A 152 -15.746 8.139 3.458 1.00 0.00 N ATOM 479 CA GLU A 152 -16.648 7.427 4.355 1.00 0.00 C ATOM 480 C GLU A 152 -15.974 6.150 4.857 1.00 0.00 C ATOM 481 O GLU A 152 -15.786 6.018 6.065 1.00 0.00 O ATOM 482 CB GLU A 152 -17.989 7.188 3.655 1.00 0.00 C ATOM 483 CG GLU A 152 -18.688 8.530 3.351 1.00 0.00 C ATOM 484 CD GLU A 152 -19.732 9.018 4.364 1.00 0.00 C ATOM 485 OE1 GLU A 152 -19.818 8.490 5.495 1.00 0.00 O ATOM 486 OE2 GLU A 152 -20.455 9.986 4.021 1.00 0.00 O ATOM 0 H GLU A 152 -16.092 8.176 2.499 1.00 0.00 H new ATOM 0 HA GLU A 152 -16.867 8.025 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -17.829 6.637 2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -18.630 6.572 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -17.920 9.298 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -19.173 8.446 2.379 1.00 0.00 H new ATOM 493 N ASN A 153 -15.608 5.222 3.966 1.00 0.00 N ATOM 494 CA ASN A 153 -15.137 3.872 4.302 1.00 0.00 C ATOM 495 C ASN A 153 -13.651 3.792 4.672 1.00 0.00 C ATOM 496 O ASN A 153 -13.207 2.715 5.063 1.00 0.00 O ATOM 497 CB ASN A 153 -15.380 2.902 3.131 1.00 0.00 C ATOM 498 CG ASN A 153 -16.822 2.436 3.018 1.00 0.00 C ATOM 499 OD1 ASN A 153 -17.222 1.448 3.637 1.00 0.00 O ATOM 500 ND2 ASN A 153 -17.626 3.104 2.209 1.00 0.00 N ATOM 0 H ASN A 153 -15.632 5.394 2.961 1.00 0.00 H new ATOM 0 HA ASN A 153 -15.715 3.593 5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -15.090 3.389 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -14.734 2.032 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -18.594 2.804 2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -17.279 3.920 1.704 1.00 0.00 H new ATOM 507 N MET A 154 -12.856 4.859 4.541 1.00 0.00 N ATOM 508 CA MET A 154 -11.386 4.799 4.542 1.00 0.00 C ATOM 509 C MET A 154 -10.780 4.127 5.781 1.00 0.00 C ATOM 510 O MET A 154 -9.673 3.595 5.707 1.00 0.00 O ATOM 511 CB MET A 154 -10.775 6.201 4.352 1.00 0.00 C ATOM 512 CG MET A 154 -11.217 7.207 5.428 1.00 0.00 C ATOM 513 SD MET A 154 -10.146 8.649 5.711 1.00 0.00 S ATOM 514 CE MET A 154 -10.066 9.424 4.078 1.00 0.00 C ATOM 0 H MET A 154 -13.219 5.805 4.429 1.00 0.00 H new ATOM 0 HA MET A 154 -11.128 4.164 3.695 1.00 0.00 H new ATOM 0 HB2 MET A 154 -9.688 6.121 4.364 1.00 0.00 H new ATOM 0 HB3 MET A 154 -11.056 6.582 3.370 1.00 0.00 H new ATOM 0 HG2 MET A 154 -12.210 7.571 5.162 1.00 0.00 H new ATOM 0 HG3 MET A 154 -11.316 6.670 6.371 1.00 0.00 H new ATOM 0 HE1 MET A 154 -9.035 9.698 3.855 1.00 0.00 H new ATOM 0 HE2 MET A 154 -10.426 8.723 3.325 1.00 0.00 H new ATOM 0 HE3 MET A 154 -10.689 10.319 4.069 1.00 0.00 H new ATOM 524 N TYR A 155 -11.499 4.118 6.905 1.00 0.00 N ATOM 525 CA TYR A 155 -11.098 3.457 8.140 1.00 0.00 C ATOM 526 C TYR A 155 -10.871 1.951 7.963 1.00 0.00 C ATOM 527 O TYR A 155 -10.104 1.352 8.715 1.00 0.00 O ATOM 528 CB TYR A 155 -12.159 3.726 9.215 1.00 0.00 C ATOM 529 CG TYR A 155 -13.554 3.219 8.899 1.00 0.00 C ATOM 530 CD1 TYR A 155 -14.472 4.033 8.206 1.00 0.00 C ATOM 531 CD2 TYR A 155 -13.939 1.932 9.318 1.00 0.00 C ATOM 532 CE1 TYR A 155 -15.765 3.561 7.920 1.00 0.00 C ATOM 533 CE2 TYR A 155 -15.235 1.462 9.056 1.00 0.00 C ATOM 534 CZ TYR A 155 -16.153 2.276 8.356 1.00 0.00 C ATOM 535 OH TYR A 155 -17.420 1.840 8.133 1.00 0.00 O ATOM 0 H TYR A 155 -12.403 4.585 6.979 1.00 0.00 H new ATOM 0 HA TYR A 155 -10.138 3.871 8.448 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -11.829 3.270 10.148 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -12.212 4.801 9.387 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -14.181 5.025 7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -13.235 1.304 9.843 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -16.458 4.179 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -15.530 0.478 9.389 1.00 0.00 H new ATOM 0 HH TYR A 155 -17.523 0.935 8.495 1.00 0.00 H new ATOM 545 N ARG A 156 -11.515 1.341 6.966 1.00 0.00 N ATOM 546 CA ARG A 156 -11.476 -0.092 6.682 1.00 0.00 C ATOM 547 C ARG A 156 -10.171 -0.493 5.991 1.00 0.00 C ATOM 548 O ARG A 156 -9.974 -1.673 5.709 1.00 0.00 O ATOM 549 CB ARG A 156 -12.698 -0.470 5.815 1.00 0.00 C ATOM 550 CG ARG A 156 -14.031 -0.033 6.453 1.00 0.00 C ATOM 551 CD ARG A 156 -15.238 -0.149 5.522 1.00 0.00 C ATOM 552 NE ARG A 156 -15.810 -1.493 5.567 1.00 0.00 N ATOM 553 CZ ARG A 156 -16.617 -2.070 4.681 1.00 0.00 C ATOM 554 NH1 ARG A 156 -17.026 -1.443 3.579 1.00 0.00 N ATOM 555 NH2 ARG A 156 -17.021 -3.306 4.934 1.00 0.00 N ATOM 0 H ARG A 156 -12.102 1.855 6.308 1.00 0.00 H new ATOM 0 HA ARG A 156 -11.517 -0.638 7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -12.600 -0.007 4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -12.710 -1.549 5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -14.212 -0.638 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -13.940 1.001 6.785 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -15.994 0.581 5.809 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -14.938 0.088 4.501 1.00 0.00 H new ATOM 0 HE ARG A 156 -15.559 -2.058 6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -16.720 -0.488 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -17.645 -1.918 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -16.713 -3.780 5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -17.641 -3.784 4.280 1.00 0.00 H new ATOM 569 N TYR A 157 -9.306 0.464 5.645 1.00 0.00 N ATOM 570 CA TYR A 157 -8.084 0.236 4.885 1.00 0.00 C ATOM 571 C TYR A 157 -6.873 0.411 5.820 1.00 0.00 C ATOM 572 O TYR A 157 -6.990 1.066 6.861 1.00 0.00 O ATOM 573 CB TYR A 157 -8.092 1.168 3.656 1.00 0.00 C ATOM 574 CG TYR A 157 -9.287 1.034 2.705 1.00 0.00 C ATOM 575 CD1 TYR A 157 -10.049 -0.152 2.614 1.00 0.00 C ATOM 576 CD2 TYR A 157 -9.629 2.115 1.871 1.00 0.00 C ATOM 577 CE1 TYR A 157 -11.128 -0.258 1.718 1.00 0.00 C ATOM 578 CE2 TYR A 157 -10.732 2.030 0.999 1.00 0.00 C ATOM 579 CZ TYR A 157 -11.491 0.846 0.919 1.00 0.00 C ATOM 580 OH TYR A 157 -12.568 0.777 0.088 1.00 0.00 O ATOM 0 H TYR A 157 -9.444 1.443 5.895 1.00 0.00 H new ATOM 0 HA TYR A 157 -8.017 -0.781 4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -8.050 2.198 4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -7.180 0.989 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -9.798 -0.993 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -9.039 3.019 1.900 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -11.678 -1.184 1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -10.998 2.879 0.387 1.00 0.00 H new ATOM 0 HH TYR A 157 -13.055 -0.058 0.252 1.00 0.00 H new ATOM 590 N PRO A 158 -5.694 -0.150 5.500 1.00 0.00 N ATOM 591 CA PRO A 158 -4.508 -0.021 6.336 1.00 0.00 C ATOM 592 C PRO A 158 -3.987 1.411 6.355 1.00 0.00 C ATOM 593 O PRO A 158 -4.385 2.258 5.552 1.00 0.00 O ATOM 594 CB PRO A 158 -3.426 -0.929 5.746 1.00 0.00 C ATOM 595 CG PRO A 158 -4.054 -1.556 4.522 1.00 0.00 C ATOM 596 CD PRO A 158 -5.396 -0.884 4.292 1.00 0.00 C ATOM 0 HA PRO A 158 -4.761 -0.300 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -2.535 -0.359 5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -3.117 -1.690 6.463 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -3.409 -1.427 3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -4.184 -2.629 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -5.354 -0.216 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -6.170 -1.623 4.085 1.00 0.00 H new ATOM 604 N ASN A 159 -2.999 1.637 7.217 1.00 0.00 N ATOM 605 CA ASN A 159 -2.208 2.857 7.286 1.00 0.00 C ATOM 606 C ASN A 159 -0.727 2.621 6.969 1.00 0.00 C ATOM 607 O ASN A 159 0.034 3.589 6.929 1.00 0.00 O ATOM 608 CB ASN A 159 -2.385 3.535 8.650 1.00 0.00 C ATOM 609 CG ASN A 159 -1.584 2.857 9.755 1.00 0.00 C ATOM 610 OD1 ASN A 159 -1.549 1.640 9.867 1.00 0.00 O ATOM 611 ND2 ASN A 159 -0.929 3.621 10.597 1.00 0.00 N ATOM 0 H ASN A 159 -2.718 0.946 7.913 1.00 0.00 H new ATOM 0 HA ASN A 159 -2.582 3.527 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -2.080 4.579 8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -3.441 3.531 8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -0.386 3.200 11.351 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -0.963 4.636 10.497 1.00 0.00 H new ATOM 618 N GLN A 160 -0.312 1.373 6.716 1.00 0.00 N ATOM 619 CA GLN A 160 1.047 0.997 6.329 1.00 0.00 C ATOM 620 C GLN A 160 1.013 0.224 5.007 1.00 0.00 C ATOM 621 O GLN A 160 -0.018 -0.350 4.646 1.00 0.00 O ATOM 622 CB GLN A 160 1.689 0.120 7.412 1.00 0.00 C ATOM 623 CG GLN A 160 1.900 0.822 8.757 1.00 0.00 C ATOM 624 CD GLN A 160 2.738 -0.044 9.688 1.00 0.00 C ATOM 625 OE1 GLN A 160 2.243 -0.992 10.285 1.00 0.00 O ATOM 626 NE2 GLN A 160 4.019 0.247 9.777 1.00 0.00 N ATOM 0 H GLN A 160 -0.939 0.571 6.778 1.00 0.00 H new ATOM 0 HA GLN A 160 1.638 1.905 6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 160 1.062 -0.758 7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.652 -0.237 7.048 1.00 0.00 H new ATOM 0 HG2 GLN A 160 2.395 1.780 8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.935 1.033 9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 160 4.398 1.044 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 160 4.633 -0.325 10.357 1.00 0.00 H new ATOM 635 N VAL A 161 2.144 0.187 4.298 1.00 0.00 N ATOM 636 CA VAL A 161 2.242 -0.275 2.912 1.00 0.00 C ATOM 637 C VAL A 161 3.540 -1.071 2.741 1.00 0.00 C ATOM 638 O VAL A 161 4.597 -0.597 3.158 1.00 0.00 O ATOM 639 CB VAL A 161 2.147 0.947 1.964 1.00 0.00 C ATOM 640 CG1 VAL A 161 0.723 1.527 1.984 1.00 0.00 C ATOM 641 CG2 VAL A 161 3.106 2.105 2.316 1.00 0.00 C ATOM 0 H VAL A 161 3.040 0.486 4.683 1.00 0.00 H new ATOM 0 HA VAL A 161 1.420 -0.944 2.657 1.00 0.00 H new ATOM 0 HB VAL A 161 2.427 0.558 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.670 2.385 1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 161 0.015 0.766 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 161 0.473 1.842 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 161 2.973 2.918 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 161 2.887 2.466 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 161 4.136 1.750 2.274 1.00 0.00 H new ATOM 651 N TYR A 162 3.493 -2.285 2.196 1.00 0.00 N ATOM 652 CA TYR A 162 4.661 -3.164 2.087 1.00 0.00 C ATOM 653 C TYR A 162 5.548 -2.780 0.895 1.00 0.00 C ATOM 654 O TYR A 162 5.093 -2.074 -0.002 1.00 0.00 O ATOM 655 CB TYR A 162 4.193 -4.611 1.941 1.00 0.00 C ATOM 656 CG TYR A 162 3.853 -5.338 3.228 1.00 0.00 C ATOM 657 CD1 TYR A 162 4.880 -5.922 3.993 1.00 0.00 C ATOM 658 CD2 TYR A 162 2.513 -5.612 3.558 1.00 0.00 C ATOM 659 CE1 TYR A 162 4.589 -6.756 5.086 1.00 0.00 C ATOM 660 CE2 TYR A 162 2.213 -6.478 4.627 1.00 0.00 C ATOM 661 CZ TYR A 162 3.247 -7.042 5.412 1.00 0.00 C ATOM 662 OH TYR A 162 2.955 -7.877 6.448 1.00 0.00 O ATOM 0 H TYR A 162 2.639 -2.691 1.814 1.00 0.00 H new ATOM 0 HA TYR A 162 5.257 -3.054 2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 162 3.313 -4.623 1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 162 4.972 -5.173 1.426 1.00 0.00 H new ATOM 0 HD1 TYR A 162 5.910 -5.726 3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 162 1.714 -5.158 2.991 1.00 0.00 H new ATOM 0 HE1 TYR A 162 5.391 -7.177 5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 162 1.183 -6.714 4.850 1.00 0.00 H new ATOM 0 HH TYR A 162 2.085 -7.635 6.828 1.00 0.00 H new ATOM 672 N TYR A 163 6.802 -3.245 0.859 1.00 0.00 N ATOM 673 CA TYR A 163 7.767 -2.947 -0.204 1.00 0.00 C ATOM 674 C TYR A 163 8.936 -3.929 -0.137 1.00 0.00 C ATOM 675 O TYR A 163 9.202 -4.521 0.911 1.00 0.00 O ATOM 676 CB TYR A 163 8.286 -1.496 -0.112 1.00 0.00 C ATOM 677 CG TYR A 163 8.975 -1.094 1.188 1.00 0.00 C ATOM 678 CD1 TYR A 163 8.227 -0.859 2.362 1.00 0.00 C ATOM 679 CD2 TYR A 163 10.377 -0.940 1.226 1.00 0.00 C ATOM 680 CE1 TYR A 163 8.884 -0.517 3.557 1.00 0.00 C ATOM 681 CE2 TYR A 163 11.025 -0.565 2.416 1.00 0.00 C ATOM 682 CZ TYR A 163 10.279 -0.325 3.585 1.00 0.00 C ATOM 683 OH TYR A 163 10.878 0.114 4.727 1.00 0.00 O ATOM 0 H TYR A 163 7.182 -3.853 1.585 1.00 0.00 H new ATOM 0 HA TYR A 163 7.256 -3.056 -1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 163 8.985 -1.333 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 163 7.444 -0.823 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 163 7.150 -0.942 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 163 10.958 -1.112 0.332 1.00 0.00 H new ATOM 0 HE1 TYR A 163 8.312 -0.400 4.465 1.00 0.00 H new ATOM 0 HE2 TYR A 163 12.100 -0.461 2.433 1.00 0.00 H new ATOM 0 HH TYR A 163 11.162 1.045 4.611 1.00 0.00 H new ATOM 693 N ARG A 164 9.633 -4.123 -1.256 1.00 0.00 N ATOM 694 CA ARG A 164 10.925 -4.806 -1.305 1.00 0.00 C ATOM 695 C ARG A 164 12.046 -3.775 -1.276 1.00 0.00 C ATOM 696 O ARG A 164 11.767 -2.599 -1.486 1.00 0.00 O ATOM 697 CB ARG A 164 11.005 -5.668 -2.574 1.00 0.00 C ATOM 698 CG ARG A 164 10.937 -7.160 -2.240 1.00 0.00 C ATOM 699 CD ARG A 164 10.993 -8.035 -3.496 1.00 0.00 C ATOM 700 NE ARG A 164 12.265 -7.903 -4.221 1.00 0.00 N ATOM 701 CZ ARG A 164 12.587 -8.526 -5.357 1.00 0.00 C ATOM 702 NH1 ARG A 164 11.746 -9.385 -5.931 1.00 0.00 N ATOM 703 NH2 ARG A 164 13.773 -8.282 -5.900 1.00 0.00 N ATOM 0 H ARG A 164 9.310 -3.804 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 164 11.032 -5.459 -0.439 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.187 -5.406 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 164 11.933 -5.454 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.764 -7.421 -1.580 1.00 0.00 H new ATOM 0 HG3 ARG A 164 10.016 -7.367 -1.695 1.00 0.00 H new ATOM 0 HD2 ARG A 164 10.846 -9.078 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 164 10.171 -7.765 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 164 12.965 -7.279 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 164 10.840 -9.575 -5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 164 12.008 -9.852 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 164 14.416 -7.631 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.042 -8.746 -6.768 1.00 0.00 H new ATOM 717 N PRO A 165 13.307 -4.193 -1.071 1.00 0.00 N ATOM 718 CA PRO A 165 14.414 -3.260 -1.060 1.00 0.00 C ATOM 719 C PRO A 165 14.513 -2.564 -2.415 1.00 0.00 C ATOM 720 O PRO A 165 14.742 -3.231 -3.430 1.00 0.00 O ATOM 721 CB PRO A 165 15.652 -4.072 -0.688 1.00 0.00 C ATOM 722 CG PRO A 165 15.281 -5.529 -0.900 1.00 0.00 C ATOM 723 CD PRO A 165 13.765 -5.552 -0.802 1.00 0.00 C ATOM 0 HA PRO A 165 14.290 -2.457 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 165 16.503 -3.792 -1.310 1.00 0.00 H new ATOM 0 HB3 PRO A 165 15.940 -3.890 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 165 15.622 -5.888 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 165 15.738 -6.169 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 165 13.341 -6.253 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 165 13.446 -5.879 0.188 1.00 0.00 H new ATOM 731 N VAL A 166 14.323 -1.240 -2.428 1.00 0.00 N ATOM 732 CA VAL A 166 14.616 -0.381 -3.580 1.00 0.00 C ATOM 733 C VAL A 166 16.089 -0.525 -3.997 1.00 0.00 C ATOM 734 O VAL A 166 16.405 -0.406 -5.184 1.00 0.00 O ATOM 735 CB VAL A 166 14.166 1.083 -3.323 1.00 0.00 C ATOM 736 CG1 VAL A 166 14.739 1.789 -2.095 1.00 0.00 C ATOM 737 CG2 VAL A 166 14.409 1.993 -4.536 1.00 0.00 C ATOM 0 H VAL A 166 13.956 -0.728 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 166 14.027 -0.712 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 166 13.104 0.939 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 166 14.341 2.802 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 166 14.460 1.239 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 166 15.825 1.830 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 166 14.077 3.005 -4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 166 15.473 2.006 -4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 166 13.850 1.615 -5.392 1.00 0.00 H new ATOM 747 N ASP A 167 16.970 -0.895 -3.059 1.00 0.00 N ATOM 748 CA ASP A 167 18.240 -1.586 -3.363 1.00 0.00 C ATOM 749 C ASP A 167 17.994 -2.896 -4.117 1.00 0.00 C ATOM 750 O ASP A 167 17.951 -3.981 -3.531 1.00 0.00 O ATOM 751 CB ASP A 167 19.224 -1.772 -2.193 1.00 0.00 C ATOM 752 CG ASP A 167 18.789 -2.651 -1.020 1.00 0.00 C ATOM 753 OD1 ASP A 167 17.987 -2.184 -0.181 1.00 0.00 O ATOM 754 OD2 ASP A 167 19.333 -3.769 -0.862 1.00 0.00 O ATOM 0 H ASP A 167 16.826 -0.725 -2.064 1.00 0.00 H new ATOM 0 HA ASP A 167 18.765 -0.886 -4.014 1.00 0.00 H new ATOM 0 HB2 ASP A 167 20.147 -2.187 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 167 19.464 -0.785 -1.799 1.00 0.00 H new ATOM 759 N GLN A 168 17.810 -2.747 -5.437 1.00 0.00 N ATOM 760 CA GLN A 168 17.582 -3.724 -6.499 1.00 0.00 C ATOM 761 C GLN A 168 16.850 -3.110 -7.681 1.00 0.00 C ATOM 762 O GLN A 168 17.160 -3.465 -8.819 1.00 0.00 O ATOM 763 CB GLN A 168 16.797 -4.955 -6.014 1.00 0.00 C ATOM 764 CG GLN A 168 17.798 -6.101 -5.829 1.00 0.00 C ATOM 765 CD GLN A 168 17.233 -7.218 -4.980 1.00 0.00 C ATOM 766 OE1 GLN A 168 16.992 -8.319 -5.468 1.00 0.00 O ATOM 767 NE2 GLN A 168 17.044 -6.974 -3.697 1.00 0.00 N ATOM 0 H GLN A 168 17.820 -1.807 -5.832 1.00 0.00 H new ATOM 0 HA GLN A 168 18.574 -4.048 -6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 168 16.286 -4.738 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 168 16.030 -5.230 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 168 18.081 -6.496 -6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 168 18.706 -5.717 -5.365 1.00 0.00 H new ATOM 0 HE21 GLN A 168 17.252 -6.050 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 168 16.690 -7.709 -3.085 1.00 0.00 H new ATOM 776 N TYR A 169 15.877 -2.234 -7.444 1.00 0.00 N ATOM 777 CA TYR A 169 14.988 -1.808 -8.507 1.00 0.00 C ATOM 778 C TYR A 169 15.654 -0.770 -9.403 1.00 0.00 C ATOM 779 O TYR A 169 16.685 -0.166 -9.090 1.00 0.00 O ATOM 780 CB TYR A 169 13.641 -1.349 -7.943 1.00 0.00 C ATOM 781 CG TYR A 169 12.744 -2.515 -7.562 1.00 0.00 C ATOM 782 CD1 TYR A 169 12.936 -3.188 -6.344 1.00 0.00 C ATOM 783 CD2 TYR A 169 11.711 -2.928 -8.428 1.00 0.00 C ATOM 784 CE1 TYR A 169 12.130 -4.291 -6.019 1.00 0.00 C ATOM 785 CE2 TYR A 169 10.856 -3.987 -8.073 1.00 0.00 C ATOM 786 CZ TYR A 169 11.086 -4.712 -6.875 1.00 0.00 C ATOM 787 OH TYR A 169 10.405 -5.856 -6.560 1.00 0.00 O ATOM 0 H TYR A 169 15.690 -1.813 -6.534 1.00 0.00 H new ATOM 0 HA TYR A 169 14.776 -2.664 -9.147 1.00 0.00 H new ATOM 0 HB2 TYR A 169 13.811 -0.724 -7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 169 13.133 -0.730 -8.682 1.00 0.00 H new ATOM 0 HD1 TYR A 169 13.702 -2.858 -5.659 1.00 0.00 H new ATOM 0 HD2 TYR A 169 11.575 -2.426 -9.374 1.00 0.00 H new ATOM 0 HE1 TYR A 169 12.311 -4.827 -5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 169 10.025 -4.248 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 169 9.498 -5.627 -6.269 1.00 0.00 H new ATOM 797 N ASN A 170 15.050 -0.621 -10.575 1.00 0.00 N ATOM 798 CA ASN A 170 15.581 0.073 -11.740 1.00 0.00 C ATOM 799 C ASN A 170 14.799 1.351 -12.040 1.00 0.00 C ATOM 800 O ASN A 170 15.381 2.313 -12.542 1.00 0.00 O ATOM 801 CB ASN A 170 15.515 -0.869 -12.948 1.00 0.00 C ATOM 802 CG ASN A 170 14.078 -1.215 -13.329 1.00 0.00 C ATOM 803 OD1 ASN A 170 13.349 -1.825 -12.546 1.00 0.00 O ATOM 804 ND2 ASN A 170 13.633 -0.804 -14.497 1.00 0.00 N ATOM 0 H ASN A 170 14.121 -1.005 -10.747 1.00 0.00 H new ATOM 0 HA ASN A 170 16.612 0.359 -11.533 1.00 0.00 H new ATOM 0 HB2 ASN A 170 16.013 -0.403 -13.798 1.00 0.00 H new ATOM 0 HB3 ASN A 170 16.060 -1.785 -12.723 1.00 0.00 H new ATOM 0 HD21 ASN A 170 12.667 -0.989 -14.769 1.00 0.00 H new ATOM 0 HD22 ASN A 170 14.254 -0.300 -15.131 1.00 0.00 H new ATOM 811 N ASN A 171 13.508 1.394 -11.711 1.00 0.00 N ATOM 812 CA ASN A 171 12.681 2.592 -11.729 1.00 0.00 C ATOM 813 C ASN A 171 11.681 2.509 -10.593 1.00 0.00 C ATOM 814 O ASN A 171 11.461 1.434 -10.023 1.00 0.00 O ATOM 815 CB ASN A 171 11.934 2.790 -13.056 1.00 0.00 C ATOM 816 CG ASN A 171 10.922 1.708 -13.403 1.00 0.00 C ATOM 817 OD1 ASN A 171 9.929 1.509 -12.711 1.00 0.00 O ATOM 818 ND2 ASN A 171 11.110 1.032 -14.513 1.00 0.00 N ATOM 0 H ASN A 171 12.995 0.564 -11.415 1.00 0.00 H new ATOM 0 HA ASN A 171 13.343 3.450 -11.612 1.00 0.00 H new ATOM 0 HB2 ASN A 171 11.418 3.749 -13.023 1.00 0.00 H new ATOM 0 HB3 ASN A 171 12.667 2.850 -13.861 1.00 0.00 H new ATOM 0 HD21 ASN A 171 10.427 0.334 -14.807 1.00 0.00 H new ATOM 0 HD22 ASN A 171 11.939 1.205 -15.081 1.00 0.00 H new ATOM 825 N GLN A 172 11.076 3.650 -10.276 1.00 0.00 N ATOM 826 CA GLN A 172 10.141 3.766 -9.171 1.00 0.00 C ATOM 827 C GLN A 172 8.816 3.090 -9.507 1.00 0.00 C ATOM 828 O GLN A 172 8.197 2.514 -8.623 1.00 0.00 O ATOM 829 CB GLN A 172 9.891 5.246 -8.868 1.00 0.00 C ATOM 830 CG GLN A 172 9.047 5.449 -7.598 1.00 0.00 C ATOM 831 CD GLN A 172 7.855 6.358 -7.837 1.00 0.00 C ATOM 832 OE1 GLN A 172 7.854 7.542 -7.496 1.00 0.00 O ATOM 833 NE2 GLN A 172 6.803 5.814 -8.425 1.00 0.00 N ATOM 0 H GLN A 172 11.224 4.522 -10.784 1.00 0.00 H new ATOM 0 HA GLN A 172 10.573 3.273 -8.300 1.00 0.00 H new ATOM 0 HB2 GLN A 172 10.847 5.757 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 172 9.384 5.707 -9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 172 8.697 4.481 -7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 172 9.673 5.873 -6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 172 6.823 4.832 -8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 172 5.971 6.376 -8.604 1.00 0.00 H new ATOM 842 N ASN A 173 8.341 3.208 -10.749 1.00 0.00 N ATOM 843 CA ASN A 173 6.991 2.806 -11.150 1.00 0.00 C ATOM 844 C ASN A 173 6.751 1.352 -10.823 1.00 0.00 C ATOM 845 O ASN A 173 5.913 0.995 -10.006 1.00 0.00 O ATOM 846 CB ASN A 173 6.794 3.030 -12.659 1.00 0.00 C ATOM 847 CG ASN A 173 6.654 4.507 -12.910 1.00 0.00 C ATOM 848 OD1 ASN A 173 7.543 5.156 -13.450 1.00 0.00 O ATOM 849 ND2 ASN A 173 5.601 5.104 -12.404 1.00 0.00 N ATOM 0 H ASN A 173 8.892 3.592 -11.517 1.00 0.00 H new ATOM 0 HA ASN A 173 6.277 3.417 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 173 7.642 2.630 -13.215 1.00 0.00 H new ATOM 0 HB3 ASN A 173 5.907 2.501 -13.007 1.00 0.00 H new ATOM 0 HD21 ASN A 173 5.515 6.119 -12.457 1.00 0.00 H new ATOM 0 HD22 ASN A 173 4.868 4.553 -11.957 1.00 0.00 H new ATOM 856 N THR A 174 7.549 0.533 -11.476 1.00 0.00 N ATOM 857 CA THR A 174 7.541 -0.915 -11.405 1.00 0.00 C ATOM 858 C THR A 174 7.667 -1.372 -9.944 1.00 0.00 C ATOM 859 O THR A 174 6.934 -2.246 -9.490 1.00 0.00 O ATOM 860 CB THR A 174 8.693 -1.430 -12.286 1.00 0.00 C ATOM 861 OG1 THR A 174 8.771 -0.713 -13.513 1.00 0.00 O ATOM 862 CG2 THR A 174 8.479 -2.886 -12.665 1.00 0.00 C ATOM 0 H THR A 174 8.267 0.882 -12.111 1.00 0.00 H new ATOM 0 HA THR A 174 6.602 -1.327 -11.775 1.00 0.00 H new ATOM 0 HB THR A 174 9.602 -1.300 -11.699 1.00 0.00 H new ATOM 0 HG1 THR A 174 8.995 0.224 -13.331 1.00 0.00 H new ATOM 0 HG21 THR A 174 9.307 -3.225 -13.287 1.00 0.00 H new ATOM 0 HG22 THR A 174 8.431 -3.494 -11.762 1.00 0.00 H new ATOM 0 HG23 THR A 174 7.545 -2.984 -13.218 1.00 0.00 H new ATOM 870 N PHE A 175 8.577 -0.744 -9.198 1.00 0.00 N ATOM 871 CA PHE A 175 8.832 -1.005 -7.792 1.00 0.00 C ATOM 872 C PHE A 175 7.598 -0.718 -6.920 1.00 0.00 C ATOM 873 O PHE A 175 7.181 -1.571 -6.136 1.00 0.00 O ATOM 874 CB PHE A 175 10.038 -0.146 -7.392 1.00 0.00 C ATOM 875 CG PHE A 175 10.097 0.146 -5.923 1.00 0.00 C ATOM 876 CD1 PHE A 175 10.318 -0.877 -4.981 1.00 0.00 C ATOM 877 CD2 PHE A 175 9.746 1.435 -5.506 1.00 0.00 C ATOM 878 CE1 PHE A 175 10.155 -0.601 -3.615 1.00 0.00 C ATOM 879 CE2 PHE A 175 9.532 1.678 -4.151 1.00 0.00 C ATOM 880 CZ PHE A 175 9.749 0.677 -3.208 1.00 0.00 C ATOM 0 H PHE A 175 9.177 -0.012 -9.578 1.00 0.00 H new ATOM 0 HA PHE A 175 9.050 -2.061 -7.632 1.00 0.00 H new ATOM 0 HB2 PHE A 175 10.954 -0.656 -7.691 1.00 0.00 H new ATOM 0 HB3 PHE A 175 10.003 0.795 -7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 175 10.610 -1.864 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 175 9.642 2.233 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 175 10.342 -1.370 -2.880 1.00 0.00 H new ATOM 0 HE2 PHE A 175 9.195 2.652 -3.829 1.00 0.00 H new ATOM 0 HZ PHE A 175 9.604 0.886 -2.158 1.00 0.00 H new ATOM 890 N VAL A 176 7.024 0.479 -7.035 1.00 0.00 N ATOM 891 CA VAL A 176 5.814 0.906 -6.343 1.00 0.00 C ATOM 892 C VAL A 176 4.669 -0.040 -6.731 1.00 0.00 C ATOM 893 O VAL A 176 3.938 -0.474 -5.853 1.00 0.00 O ATOM 894 CB VAL A 176 5.576 2.398 -6.663 1.00 0.00 C ATOM 895 CG1 VAL A 176 4.102 2.817 -6.587 1.00 0.00 C ATOM 896 CG2 VAL A 176 6.483 3.234 -5.729 1.00 0.00 C ATOM 0 H VAL A 176 7.407 1.206 -7.639 1.00 0.00 H new ATOM 0 HA VAL A 176 5.895 0.840 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 176 5.843 2.583 -7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 176 4.012 3.877 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 176 3.521 2.235 -7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 176 3.724 2.637 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 176 6.336 4.295 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 176 6.227 3.025 -4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 176 7.526 2.972 -5.905 1.00 0.00 H new ATOM 906 N HIS A 177 4.518 -0.416 -8.002 1.00 0.00 N ATOM 907 CA HIS A 177 3.465 -1.321 -8.451 1.00 0.00 C ATOM 908 C HIS A 177 3.613 -2.692 -7.770 1.00 0.00 C ATOM 909 O HIS A 177 2.633 -3.293 -7.326 1.00 0.00 O ATOM 910 CB HIS A 177 3.525 -1.421 -9.986 1.00 0.00 C ATOM 911 CG HIS A 177 2.299 -1.991 -10.660 1.00 0.00 C ATOM 912 ND1 HIS A 177 2.024 -1.885 -12.001 1.00 0.00 N ATOM 913 CD2 HIS A 177 1.275 -2.700 -10.094 1.00 0.00 C ATOM 914 CE1 HIS A 177 0.863 -2.512 -12.239 1.00 0.00 C ATOM 915 NE2 HIS A 177 0.373 -3.050 -11.106 1.00 0.00 N ATOM 0 H HIS A 177 5.130 -0.097 -8.753 1.00 0.00 H new ATOM 0 HA HIS A 177 2.485 -0.936 -8.169 1.00 0.00 H new ATOM 0 HB2 HIS A 177 3.707 -0.424 -10.389 1.00 0.00 H new ATOM 0 HB3 HIS A 177 4.383 -2.036 -10.257 1.00 0.00 H new ATOM 0 HD2 HIS A 177 1.179 -2.947 -9.047 1.00 0.00 H new ATOM 0 HE1 HIS A 177 0.387 -2.577 -13.206 1.00 0.00 H new ATOM 0 HE2 HIS A 177 -0.480 -3.600 -11.006 1.00 0.00 H new ATOM 923 N ASP A 178 4.834 -3.210 -7.663 1.00 0.00 N ATOM 924 CA ASP A 178 5.112 -4.477 -6.988 1.00 0.00 C ATOM 925 C ASP A 178 4.708 -4.391 -5.510 1.00 0.00 C ATOM 926 O ASP A 178 4.089 -5.307 -4.972 1.00 0.00 O ATOM 927 CB ASP A 178 6.616 -4.760 -7.143 1.00 0.00 C ATOM 928 CG ASP A 178 7.054 -6.190 -6.839 1.00 0.00 C ATOM 929 OD1 ASP A 178 6.883 -7.067 -7.717 1.00 0.00 O ATOM 930 OD2 ASP A 178 7.748 -6.378 -5.810 1.00 0.00 O ATOM 0 H ASP A 178 5.666 -2.759 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 178 4.535 -5.290 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 178 6.909 -4.519 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 178 7.164 -4.084 -6.486 1.00 0.00 H new ATOM 935 N CYS A 179 4.996 -3.246 -4.885 1.00 0.00 N ATOM 936 CA CYS A 179 4.584 -2.866 -3.534 1.00 0.00 C ATOM 937 C CYS A 179 3.056 -2.833 -3.388 1.00 0.00 C ATOM 938 O CYS A 179 2.524 -3.409 -2.436 1.00 0.00 O ATOM 939 CB CYS A 179 5.222 -1.503 -3.186 1.00 0.00 C ATOM 940 SG CYS A 179 4.172 -0.243 -2.398 1.00 0.00 S ATOM 0 H CYS A 179 5.554 -2.520 -5.335 1.00 0.00 H new ATOM 0 HA CYS A 179 4.935 -3.619 -2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 179 6.070 -1.690 -2.527 1.00 0.00 H new ATOM 0 HB3 CYS A 179 5.621 -1.077 -4.106 1.00 0.00 H new ATOM 945 N VAL A 180 2.345 -2.152 -4.294 1.00 0.00 N ATOM 946 CA VAL A 180 0.890 -2.005 -4.277 1.00 0.00 C ATOM 947 C VAL A 180 0.271 -3.394 -4.292 1.00 0.00 C ATOM 948 O VAL A 180 -0.529 -3.721 -3.410 1.00 0.00 O ATOM 949 CB VAL A 180 0.419 -1.128 -5.460 1.00 0.00 C ATOM 950 CG1 VAL A 180 -1.107 -1.126 -5.641 1.00 0.00 C ATOM 951 CG2 VAL A 180 0.844 0.333 -5.274 1.00 0.00 C ATOM 0 H VAL A 180 2.782 -1.674 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 180 0.564 -1.491 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 180 0.889 -1.570 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.372 -0.492 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -1.453 -2.143 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -1.580 -0.742 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 180 0.498 0.923 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 180 0.406 0.725 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 180 1.931 0.391 -5.211 1.00 0.00 H new ATOM 961 N ASN A 181 0.707 -4.214 -5.254 1.00 0.00 N ATOM 962 CA ASN A 181 0.254 -5.581 -5.419 1.00 0.00 C ATOM 963 C ASN A 181 0.389 -6.321 -4.103 1.00 0.00 C ATOM 964 O ASN A 181 -0.608 -6.764 -3.550 1.00 0.00 O ATOM 965 CB ASN A 181 1.048 -6.288 -6.519 1.00 0.00 C ATOM 966 CG ASN A 181 0.388 -7.613 -6.857 1.00 0.00 C ATOM 967 OD1 ASN A 181 0.564 -8.611 -6.173 1.00 0.00 O ATOM 968 ND2 ASN A 181 -0.390 -7.633 -7.923 1.00 0.00 N ATOM 0 H ASN A 181 1.398 -3.931 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 181 -0.794 -5.573 -5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 181 1.097 -5.658 -7.407 1.00 0.00 H new ATOM 0 HB3 ASN A 181 2.074 -6.455 -6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 181 -0.862 -8.496 -8.194 1.00 0.00 H new ATOM 0 HD22 ASN A 181 -0.519 -6.786 -8.476 1.00 0.00 H new ATOM 975 N ILE A 182 1.609 -6.392 -3.574 1.00 0.00 N ATOM 976 CA ILE A 182 1.940 -7.100 -2.348 1.00 0.00 C ATOM 977 C ILE A 182 1.134 -6.590 -1.153 1.00 0.00 C ATOM 978 O ILE A 182 0.738 -7.392 -0.307 1.00 0.00 O ATOM 979 CB ILE A 182 3.463 -6.978 -2.138 1.00 0.00 C ATOM 980 CG1 ILE A 182 4.184 -7.959 -3.091 1.00 0.00 C ATOM 981 CG2 ILE A 182 3.881 -7.144 -0.671 1.00 0.00 C ATOM 982 CD1 ILE A 182 4.282 -9.416 -2.611 1.00 0.00 C ATOM 0 H ILE A 182 2.417 -5.942 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 182 1.668 -8.152 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 182 3.770 -5.963 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 182 3.667 -7.948 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 182 5.193 -7.587 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 182 4.964 -7.048 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 182 3.401 -6.374 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.576 -8.128 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 182 4.806 -10.011 -3.359 1.00 0.00 H new ATOM 0 HD12 ILE A 182 4.829 -9.453 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 182 3.280 -9.819 -2.464 1.00 0.00 H new ATOM 994 N THR A 183 0.913 -5.281 -1.042 1.00 0.00 N ATOM 995 CA THR A 183 0.189 -4.703 0.078 1.00 0.00 C ATOM 996 C THR A 183 -1.232 -5.261 0.083 1.00 0.00 C ATOM 997 O THR A 183 -1.626 -5.887 1.068 1.00 0.00 O ATOM 998 CB THR A 183 0.254 -3.172 -0.004 1.00 0.00 C ATOM 999 OG1 THR A 183 1.606 -2.760 0.056 1.00 0.00 O ATOM 1000 CG2 THR A 183 -0.489 -2.483 1.143 1.00 0.00 C ATOM 0 H THR A 183 1.232 -4.596 -1.727 1.00 0.00 H new ATOM 0 HA THR A 183 0.642 -4.975 1.031 1.00 0.00 H new ATOM 0 HB THR A 183 -0.221 -2.887 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 183 2.080 -3.077 -0.741 1.00 0.00 H new ATOM 0 HG21 THR A 183 -0.408 -1.402 1.031 1.00 0.00 H new ATOM 0 HG22 THR A 183 -1.540 -2.772 1.122 1.00 0.00 H new ATOM 0 HG23 THR A 183 -0.049 -2.784 2.094 1.00 0.00 H new ATOM 1008 N ILE A 184 -1.953 -5.104 -1.030 1.00 0.00 N ATOM 1009 CA ILE A 184 -3.275 -5.679 -1.255 1.00 0.00 C ATOM 1010 C ILE A 184 -3.210 -7.188 -1.028 1.00 0.00 C ATOM 1011 O ILE A 184 -4.065 -7.758 -0.348 1.00 0.00 O ATOM 1012 CB ILE A 184 -3.733 -5.305 -2.686 1.00 0.00 C ATOM 1013 CG1 ILE A 184 -3.897 -3.776 -2.862 1.00 0.00 C ATOM 1014 CG2 ILE A 184 -5.056 -5.998 -3.027 1.00 0.00 C ATOM 1015 CD1 ILE A 184 -3.935 -3.360 -4.334 1.00 0.00 C ATOM 0 H ILE A 184 -1.619 -4.555 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 184 -4.010 -5.282 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 184 -2.953 -5.645 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.815 -3.453 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -3.073 -3.265 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.361 -5.723 -4.036 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -4.926 -7.079 -2.969 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -5.823 -5.686 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.051 -2.278 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -3.006 -3.657 -4.820 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -4.775 -3.848 -4.828 1.00 0.00 H new ATOM 1027 N LYS A 185 -2.184 -7.846 -1.566 1.00 0.00 N ATOM 1028 CA LYS A 185 -2.053 -9.286 -1.505 1.00 0.00 C ATOM 1029 C LYS A 185 -1.774 -9.792 -0.087 1.00 0.00 C ATOM 1030 O LYS A 185 -1.981 -10.975 0.166 1.00 0.00 O ATOM 1031 CB LYS A 185 -1.002 -9.764 -2.508 1.00 0.00 C ATOM 1032 CG LYS A 185 -1.314 -11.194 -2.968 1.00 0.00 C ATOM 1033 CD LYS A 185 -0.060 -12.052 -2.977 1.00 0.00 C ATOM 1034 CE LYS A 185 0.307 -12.425 -1.540 1.00 0.00 C ATOM 1035 NZ LYS A 185 1.142 -13.633 -1.519 1.00 0.00 N ATOM 0 H LYS A 185 -1.419 -7.384 -2.058 1.00 0.00 H new ATOM 0 HA LYS A 185 -3.013 -9.720 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -0.980 -9.095 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -0.013 -9.729 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -2.057 -11.638 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -1.750 -11.171 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -0.226 -12.953 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.762 -11.511 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 185 0.840 -11.599 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.600 -12.592 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 1.382 -13.872 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.621 -14.423 -1.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 2.016 -13.461 -2.056 1.00 0.00 H new ATOM 1049 N GLN A 186 -1.328 -8.957 0.854 1.00 0.00 N ATOM 1050 CA GLN A 186 -1.329 -9.299 2.261 1.00 0.00 C ATOM 1051 C GLN A 186 -2.698 -9.056 2.883 1.00 0.00 C ATOM 1052 O GLN A 186 -3.093 -9.874 3.709 1.00 0.00 O ATOM 1053 CB GLN A 186 -0.231 -8.529 3.003 1.00 0.00 C ATOM 1054 CG GLN A 186 1.001 -9.417 3.201 1.00 0.00 C ATOM 1055 CD GLN A 186 0.781 -10.501 4.252 1.00 0.00 C ATOM 1056 OE1 GLN A 186 0.495 -11.659 3.958 1.00 0.00 O ATOM 1057 NE2 GLN A 186 0.888 -10.121 5.511 1.00 0.00 N ATOM 0 H GLN A 186 -0.958 -8.028 0.653 1.00 0.00 H new ATOM 0 HA GLN A 186 -1.114 -10.363 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 186 0.042 -7.637 2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.604 -8.192 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 186 1.264 -9.884 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 186 1.848 -8.797 3.496 1.00 0.00 H new ATOM 0 HE21 GLN A 186 1.126 -9.155 5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 186 0.732 -10.794 6.262 1.00 0.00 H new ATOM 1066 N HIS A 187 -3.449 -8.012 2.509 1.00 0.00 N ATOM 1067 CA HIS A 187 -4.778 -7.824 3.092 1.00 0.00 C ATOM 1068 C HIS A 187 -5.672 -8.989 2.715 1.00 0.00 C ATOM 1069 O HIS A 187 -6.320 -9.553 3.596 1.00 0.00 O ATOM 1070 CB HIS A 187 -5.499 -6.546 2.673 1.00 0.00 C ATOM 1071 CG HIS A 187 -4.690 -5.297 2.630 1.00 0.00 C ATOM 1072 ND1 HIS A 187 -5.055 -4.197 1.924 1.00 0.00 N flip ATOM 1073 CD2 HIS A 187 -3.477 -5.048 3.214 1.00 0.00 C flip ATOM 1074 CE1 HIS A 187 -4.004 -3.288 1.974 1.00 0.00 C flip ATOM 1075 NE2 HIS A 187 -3.080 -3.848 2.771 1.00 0.00 N flip ATOM 0 H HIS A 187 -3.169 -7.307 1.827 1.00 0.00 H new ATOM 0 HA HIS A 187 -4.599 -7.755 4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -5.926 -6.707 1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -6.332 -6.387 3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -2.945 -5.693 3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -3.944 -2.332 1.476 1.00 0.00 H new ATOM 0 HE2 HIS A 187 -2.188 -3.414 3.009 1.00 0.00 H new ATOM 1083 N THR A 188 -5.683 -9.375 1.437 1.00 0.00 N ATOM 1084 CA THR A 188 -6.548 -10.409 0.875 1.00 0.00 C ATOM 1085 C THR A 188 -6.233 -11.820 1.440 1.00 0.00 C ATOM 1086 O THR A 188 -6.818 -12.819 1.024 1.00 0.00 O ATOM 1087 CB THR A 188 -6.465 -10.335 -0.665 1.00 0.00 C ATOM 1088 OG1 THR A 188 -7.600 -10.920 -1.266 1.00 0.00 O ATOM 1089 CG2 THR A 188 -5.213 -10.968 -1.252 1.00 0.00 C ATOM 0 H THR A 188 -5.065 -8.958 0.741 1.00 0.00 H new ATOM 0 HA THR A 188 -7.579 -10.223 1.177 1.00 0.00 H new ATOM 0 HB THR A 188 -6.423 -9.269 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 188 -7.823 -11.753 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 188 -5.232 -10.874 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 188 -4.331 -10.462 -0.859 1.00 0.00 H new ATOM 0 HG23 THR A 188 -5.177 -12.023 -0.980 1.00 0.00 H new ATOM 1097 N VAL A 189 -5.311 -11.905 2.401 1.00 0.00 N ATOM 1098 CA VAL A 189 -4.700 -13.092 2.965 1.00 0.00 C ATOM 1099 C VAL A 189 -4.791 -12.984 4.489 1.00 0.00 C ATOM 1100 O VAL A 189 -5.491 -13.767 5.129 1.00 0.00 O ATOM 1101 CB VAL A 189 -3.277 -13.164 2.354 1.00 0.00 C ATOM 1102 CG1 VAL A 189 -2.264 -13.994 3.135 1.00 0.00 C ATOM 1103 CG2 VAL A 189 -3.325 -13.701 0.913 1.00 0.00 C ATOM 0 H VAL A 189 -4.945 -11.060 2.840 1.00 0.00 H new ATOM 0 HA VAL A 189 -5.189 -14.036 2.727 1.00 0.00 H new ATOM 0 HB VAL A 189 -2.930 -12.131 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -1.304 -13.976 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -2.146 -13.577 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -2.617 -15.023 3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -2.315 -13.742 0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -3.758 -14.701 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -3.937 -13.040 0.299 1.00 0.00 H new ATOM 1113 N THR A 190 -4.119 -12.009 5.095 1.00 0.00 N ATOM 1114 CA THR A 190 -4.109 -11.808 6.526 1.00 0.00 C ATOM 1115 C THR A 190 -5.484 -11.314 6.980 1.00 0.00 C ATOM 1116 O THR A 190 -6.149 -11.959 7.794 1.00 0.00 O ATOM 1117 CB THR A 190 -2.995 -10.794 6.850 1.00 0.00 C ATOM 1118 OG1 THR A 190 -1.725 -11.332 6.537 1.00 0.00 O ATOM 1119 CG2 THR A 190 -2.956 -10.364 8.312 1.00 0.00 C ATOM 0 H THR A 190 -3.557 -11.326 4.587 1.00 0.00 H new ATOM 0 HA THR A 190 -3.907 -12.737 7.059 1.00 0.00 H new ATOM 0 HB THR A 190 -3.227 -9.920 6.241 1.00 0.00 H new ATOM 0 HG1 THR A 190 -1.054 -10.962 7.148 1.00 0.00 H new ATOM 0 HG21 THR A 190 -2.146 -9.650 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 190 -3.904 -9.897 8.579 1.00 0.00 H new ATOM 0 HG23 THR A 190 -2.791 -11.237 8.944 1.00 0.00 H new ATOM 1127 N THR A 191 -5.890 -10.155 6.461 1.00 0.00 N ATOM 1128 CA THR A 191 -7.071 -9.430 6.894 1.00 0.00 C ATOM 1129 C THR A 191 -8.366 -10.096 6.416 1.00 0.00 C ATOM 1130 O THR A 191 -9.409 -9.936 7.045 1.00 0.00 O ATOM 1131 CB THR A 191 -6.882 -7.966 6.448 1.00 0.00 C ATOM 1132 OG1 THR A 191 -5.797 -7.402 7.167 1.00 0.00 O ATOM 1133 CG2 THR A 191 -8.086 -7.073 6.587 1.00 0.00 C ATOM 0 H THR A 191 -5.388 -9.687 5.707 1.00 0.00 H new ATOM 0 HA THR A 191 -7.181 -9.449 7.978 1.00 0.00 H new ATOM 0 HB THR A 191 -6.692 -8.016 5.376 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.668 -6.471 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.836 -6.069 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.904 -7.469 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 191 -8.391 -7.033 7.633 1.00 0.00 H new ATOM 1141 N THR A 192 -8.282 -10.914 5.376 1.00 0.00 N ATOM 1142 CA THR A 192 -9.396 -11.401 4.569 1.00 0.00 C ATOM 1143 C THR A 192 -9.477 -12.914 4.757 1.00 0.00 C ATOM 1144 O THR A 192 -8.693 -13.674 4.187 1.00 0.00 O ATOM 1145 CB THR A 192 -9.113 -11.005 3.121 1.00 0.00 C ATOM 1146 OG1 THR A 192 -8.920 -9.608 3.086 1.00 0.00 O ATOM 1147 CG2 THR A 192 -10.199 -11.317 2.093 1.00 0.00 C ATOM 0 H THR A 192 -7.385 -11.277 5.053 1.00 0.00 H new ATOM 0 HA THR A 192 -10.356 -10.974 4.860 1.00 0.00 H new ATOM 0 HB THR A 192 -8.249 -11.605 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 192 -8.007 -9.397 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 192 -9.873 -10.986 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 192 -10.383 -12.391 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 192 -11.118 -10.797 2.365 1.00 0.00 H new ATOM 1155 N THR A 193 -10.351 -13.355 5.651 1.00 0.00 N ATOM 1156 CA THR A 193 -10.572 -14.722 6.079 1.00 0.00 C ATOM 1157 C THR A 193 -12.004 -14.788 6.636 1.00 0.00 C ATOM 1158 O THR A 193 -12.871 -15.371 5.986 1.00 0.00 O ATOM 1159 CB THR A 193 -9.444 -15.114 7.059 1.00 0.00 C ATOM 1160 OG1 THR A 193 -8.231 -15.260 6.340 1.00 0.00 O ATOM 1161 CG2 THR A 193 -9.642 -16.422 7.821 1.00 0.00 C ATOM 0 H THR A 193 -10.974 -12.708 6.134 1.00 0.00 H new ATOM 0 HA THR A 193 -10.517 -15.460 5.279 1.00 0.00 H new ATOM 0 HB THR A 193 -9.439 -14.308 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 193 -8.317 -14.831 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 193 -8.789 -16.593 8.477 1.00 0.00 H new ATOM 0 HG22 THR A 193 -10.552 -16.361 8.417 1.00 0.00 H new ATOM 0 HG23 THR A 193 -9.726 -17.246 7.113 1.00 0.00 H new ATOM 1169 N LYS A 194 -12.287 -14.200 7.808 1.00 0.00 N ATOM 1170 CA LYS A 194 -13.557 -14.378 8.535 1.00 0.00 C ATOM 1171 C LYS A 194 -14.033 -13.058 9.174 1.00 0.00 C ATOM 1172 O LYS A 194 -14.495 -13.028 10.321 1.00 0.00 O ATOM 1173 CB LYS A 194 -13.380 -15.516 9.536 1.00 0.00 C ATOM 1174 CG LYS A 194 -13.275 -16.876 8.830 1.00 0.00 C ATOM 1175 CD LYS A 194 -13.161 -17.986 9.868 1.00 0.00 C ATOM 1176 CE LYS A 194 -12.516 -19.240 9.259 1.00 0.00 C ATOM 1177 NZ LYS A 194 -12.024 -20.172 10.298 1.00 0.00 N ATOM 0 H LYS A 194 -11.633 -13.579 8.285 1.00 0.00 H new ATOM 0 HA LYS A 194 -14.355 -14.654 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -12.483 -15.343 10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -14.223 -15.528 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -14.151 -17.040 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -12.406 -16.889 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -12.566 -17.640 10.713 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -14.150 -18.232 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -13.243 -19.752 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -11.687 -18.945 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -11.596 -21.004 9.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -11.311 -19.693 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -12.818 -20.475 10.897 1.00 0.00 H new ATOM 1191 N GLY A 195 -13.876 -11.944 8.463 1.00 0.00 N ATOM 1192 CA GLY A 195 -14.053 -10.591 8.971 1.00 0.00 C ATOM 1193 C GLY A 195 -14.178 -9.587 7.828 1.00 0.00 C ATOM 1194 O GLY A 195 -15.231 -9.515 7.189 1.00 0.00 O ATOM 0 H GLY A 195 -13.611 -11.963 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.945 -10.548 9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.207 -10.323 9.604 1.00 0.00 H new ATOM 1198 N GLU A 196 -13.102 -8.844 7.566 1.00 0.00 N ATOM 1199 CA GLU A 196 -12.951 -7.848 6.508 1.00 0.00 C ATOM 1200 C GLU A 196 -13.074 -8.528 5.129 1.00 0.00 C ATOM 1201 O GLU A 196 -12.759 -9.711 5.020 1.00 0.00 O ATOM 1202 CB GLU A 196 -11.539 -7.262 6.686 1.00 0.00 C ATOM 1203 CG GLU A 196 -11.286 -5.862 6.116 1.00 0.00 C ATOM 1204 CD GLU A 196 -11.910 -4.771 6.998 1.00 0.00 C ATOM 1205 OE1 GLU A 196 -13.105 -4.465 6.790 1.00 0.00 O ATOM 1206 OE2 GLU A 196 -11.236 -4.269 7.930 1.00 0.00 O ATOM 0 H GLU A 196 -12.255 -8.929 8.128 1.00 0.00 H new ATOM 0 HA GLU A 196 -13.717 -7.074 6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -11.315 -7.238 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -10.828 -7.948 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -10.213 -5.692 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -11.700 -5.798 5.110 1.00 0.00 H new ATOM 1213 N ASN A 197 -13.471 -7.823 4.066 1.00 0.00 N ATOM 1214 CA ASN A 197 -13.511 -8.368 2.706 1.00 0.00 C ATOM 1215 C ASN A 197 -13.549 -7.248 1.680 1.00 0.00 C ATOM 1216 O ASN A 197 -14.520 -6.496 1.629 1.00 0.00 O ATOM 1217 CB ASN A 197 -14.747 -9.250 2.526 1.00 0.00 C ATOM 1218 CG ASN A 197 -15.094 -9.523 1.070 1.00 0.00 C ATOM 1219 OD1 ASN A 197 -14.214 -9.745 0.247 1.00 0.00 O ATOM 1220 ND2 ASN A 197 -16.373 -9.556 0.726 1.00 0.00 N ATOM 0 H ASN A 197 -13.776 -6.851 4.125 1.00 0.00 H new ATOM 0 HA ASN A 197 -12.610 -8.963 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -14.583 -10.199 3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -15.598 -8.771 3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -16.637 -9.769 -0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -17.094 -9.369 1.423 1.00 0.00 H new ATOM 1227 N PHE A 198 -12.518 -7.152 0.850 1.00 0.00 N ATOM 1228 CA PHE A 198 -12.376 -6.068 -0.108 1.00 0.00 C ATOM 1229 C PHE A 198 -12.873 -6.534 -1.476 1.00 0.00 C ATOM 1230 O PHE A 198 -12.231 -7.368 -2.122 1.00 0.00 O ATOM 1231 CB PHE A 198 -10.934 -5.551 -0.134 1.00 0.00 C ATOM 1232 CG PHE A 198 -10.295 -5.376 1.226 1.00 0.00 C ATOM 1233 CD1 PHE A 198 -9.641 -6.464 1.830 1.00 0.00 C ATOM 1234 CD2 PHE A 198 -10.351 -4.138 1.889 1.00 0.00 C ATOM 1235 CE1 PHE A 198 -8.985 -6.306 3.054 1.00 0.00 C ATOM 1236 CE2 PHE A 198 -9.752 -4.001 3.153 1.00 0.00 C ATOM 1237 CZ PHE A 198 -9.028 -5.066 3.712 1.00 0.00 C ATOM 0 H PHE A 198 -11.755 -7.828 0.824 1.00 0.00 H new ATOM 0 HA PHE A 198 -12.992 -5.220 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 198 -10.326 -6.242 -0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 198 -10.916 -4.593 -0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 198 -9.646 -7.429 1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 198 -10.851 -3.298 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 198 -8.447 -7.134 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 198 -9.849 -3.073 3.696 1.00 0.00 H new ATOM 0 HZ PHE A 198 -8.505 -4.932 4.647 1.00 0.00 H new ATOM 1247 N THR A 199 -14.029 -6.025 -1.893 1.00 0.00 N ATOM 1248 CA THR A 199 -14.594 -6.258 -3.220 1.00 0.00 C ATOM 1249 C THR A 199 -13.803 -5.487 -4.290 1.00 0.00 C ATOM 1250 O THR A 199 -12.983 -4.649 -3.936 1.00 0.00 O ATOM 1251 CB THR A 199 -16.072 -5.840 -3.205 1.00 0.00 C ATOM 1252 OG1 THR A 199 -16.320 -4.605 -2.555 1.00 0.00 O ATOM 1253 CG2 THR A 199 -16.891 -6.864 -2.409 1.00 0.00 C ATOM 0 H THR A 199 -14.611 -5.427 -1.307 1.00 0.00 H new ATOM 0 HA THR A 199 -14.525 -7.316 -3.472 1.00 0.00 H new ATOM 0 HB THR A 199 -16.347 -5.766 -4.257 1.00 0.00 H new ATOM 0 HG1 THR A 199 -17.279 -4.405 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 199 -17.939 -6.564 -2.400 1.00 0.00 H new ATOM 0 HG22 THR A 199 -16.798 -7.845 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 199 -16.519 -6.911 -1.386 1.00 0.00 H new ATOM 1261 N GLU A 200 -14.073 -5.660 -5.589 1.00 0.00 N ATOM 1262 CA GLU A 200 -13.388 -4.925 -6.666 1.00 0.00 C ATOM 1263 C GLU A 200 -13.597 -3.409 -6.526 1.00 0.00 C ATOM 1264 O GLU A 200 -12.700 -2.604 -6.770 1.00 0.00 O ATOM 1265 CB GLU A 200 -13.929 -5.401 -8.029 1.00 0.00 C ATOM 1266 CG GLU A 200 -12.821 -5.551 -9.071 1.00 0.00 C ATOM 1267 CD GLU A 200 -12.106 -6.897 -8.893 1.00 0.00 C ATOM 1268 OE1 GLU A 200 -11.383 -7.085 -7.892 1.00 0.00 O ATOM 1269 OE2 GLU A 200 -12.314 -7.810 -9.726 1.00 0.00 O ATOM 0 H GLU A 200 -14.776 -6.317 -5.928 1.00 0.00 H new ATOM 0 HA GLU A 200 -12.319 -5.126 -6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -14.438 -6.357 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -14.672 -4.690 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -13.243 -5.485 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -12.105 -4.735 -8.972 1.00 0.00 H new ATOM 1276 N THR A 201 -14.763 -2.992 -6.043 1.00 0.00 N ATOM 1277 CA THR A 201 -14.998 -1.593 -5.720 1.00 0.00 C ATOM 1278 C THR A 201 -14.053 -1.094 -4.635 1.00 0.00 C ATOM 1279 O THR A 201 -13.772 0.096 -4.602 1.00 0.00 O ATOM 1280 CB THR A 201 -16.435 -1.456 -5.228 1.00 0.00 C ATOM 1281 OG1 THR A 201 -17.318 -2.035 -6.171 1.00 0.00 O ATOM 1282 CG2 THR A 201 -16.807 -0.013 -4.908 1.00 0.00 C ATOM 0 H THR A 201 -15.559 -3.605 -5.867 1.00 0.00 H new ATOM 0 HA THR A 201 -14.822 -0.995 -6.614 1.00 0.00 H new ATOM 0 HB THR A 201 -16.525 -1.998 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 201 -18.241 -1.947 -5.852 1.00 0.00 H new ATOM 0 HG21 THR A 201 -17.840 0.028 -4.562 1.00 0.00 H new ATOM 0 HG22 THR A 201 -16.148 0.368 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 201 -16.700 0.598 -5.804 1.00 0.00 H new ATOM 1290 N ASP A 202 -13.597 -1.955 -3.725 1.00 0.00 N ATOM 1291 CA ASP A 202 -12.586 -1.558 -2.760 1.00 0.00 C ATOM 1292 C ASP A 202 -11.239 -1.639 -3.452 1.00 0.00 C ATOM 1293 O ASP A 202 -10.434 -0.749 -3.234 1.00 0.00 O ATOM 1294 CB ASP A 202 -12.526 -2.491 -1.553 1.00 0.00 C ATOM 1295 CG ASP A 202 -13.768 -2.439 -0.703 1.00 0.00 C ATOM 1296 OD1 ASP A 202 -13.930 -1.479 0.077 1.00 0.00 O ATOM 1297 OD2 ASP A 202 -14.640 -3.323 -0.852 1.00 0.00 O ATOM 0 H ASP A 202 -13.911 -2.922 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 202 -12.833 -0.557 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 202 -12.372 -3.513 -1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 202 -11.663 -2.228 -0.941 1.00 0.00 H new ATOM 1302 N VAL A 203 -10.984 -2.664 -4.279 1.00 0.00 N ATOM 1303 CA VAL A 203 -9.675 -2.880 -4.880 1.00 0.00 C ATOM 1304 C VAL A 203 -9.190 -1.641 -5.604 1.00 0.00 C ATOM 1305 O VAL A 203 -8.084 -1.177 -5.351 1.00 0.00 O ATOM 1306 CB VAL A 203 -9.575 -4.163 -5.718 1.00 0.00 C ATOM 1307 CG1 VAL A 203 -10.020 -5.428 -4.975 1.00 0.00 C ATOM 1308 CG2 VAL A 203 -9.877 -4.136 -7.217 1.00 0.00 C ATOM 0 H VAL A 203 -11.681 -3.359 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 203 -8.983 -3.056 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 203 -8.491 -4.218 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -9.920 -6.291 -5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -9.396 -5.570 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -11.061 -5.323 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -9.752 -5.136 -7.631 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -10.903 -3.803 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -9.192 -3.449 -7.714 1.00 0.00 H new ATOM 1318 N LYS A 204 -10.050 -1.061 -6.434 1.00 0.00 N ATOM 1319 CA LYS A 204 -9.761 0.207 -7.095 1.00 0.00 C ATOM 1320 C LYS A 204 -9.341 1.299 -6.097 1.00 0.00 C ATOM 1321 O LYS A 204 -8.439 2.081 -6.397 1.00 0.00 O ATOM 1322 CB LYS A 204 -10.934 0.627 -7.997 1.00 0.00 C ATOM 1323 CG LYS A 204 -12.201 1.106 -7.274 1.00 0.00 C ATOM 1324 CD LYS A 204 -13.102 1.908 -8.208 1.00 0.00 C ATOM 1325 CE LYS A 204 -13.739 1.035 -9.291 1.00 0.00 C ATOM 1326 NZ LYS A 204 -14.329 1.891 -10.339 1.00 0.00 N ATOM 0 H LYS A 204 -10.962 -1.454 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 204 -8.897 0.064 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 204 -10.592 1.425 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 204 -11.199 -0.219 -8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 204 -12.748 0.247 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 204 -11.923 1.720 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 204 -13.887 2.391 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 204 -12.520 2.700 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 204 -12.989 0.375 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 204 -14.508 0.399 -8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 -15.355 1.729 -10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 -14.145 2.890 -10.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 -13.903 1.658 -11.258 1.00 0.00 H new ATOM 1340 N MET A 205 -9.974 1.380 -4.924 1.00 0.00 N ATOM 1341 CA MET A 205 -9.640 2.361 -3.895 1.00 0.00 C ATOM 1342 C MET A 205 -8.300 2.027 -3.245 1.00 0.00 C ATOM 1343 O MET A 205 -7.511 2.935 -2.982 1.00 0.00 O ATOM 1344 CB MET A 205 -10.731 2.436 -2.809 1.00 0.00 C ATOM 1345 CG MET A 205 -12.122 2.562 -3.397 1.00 0.00 C ATOM 1346 SD MET A 205 -13.275 3.568 -2.453 1.00 0.00 S ATOM 1347 CE MET A 205 -14.188 4.159 -3.896 1.00 0.00 C ATOM 0 H MET A 205 -10.740 0.759 -4.662 1.00 0.00 H new ATOM 0 HA MET A 205 -9.572 3.332 -4.386 1.00 0.00 H new ATOM 0 HB2 MET A 205 -10.682 1.543 -2.186 1.00 0.00 H new ATOM 0 HB3 MET A 205 -10.535 3.289 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 205 -12.037 2.982 -4.399 1.00 0.00 H new ATOM 0 HG3 MET A 205 -12.543 1.563 -3.505 1.00 0.00 H new ATOM 0 HE1 MET A 205 -15.070 4.709 -3.568 1.00 0.00 H new ATOM 0 HE2 MET A 205 -13.550 4.816 -4.486 1.00 0.00 H new ATOM 0 HE3 MET A 205 -14.496 3.309 -4.505 1.00 0.00 H new ATOM 1357 N MET A 206 -8.060 0.749 -2.944 1.00 0.00 N ATOM 1358 CA MET A 206 -6.854 0.245 -2.295 1.00 0.00 C ATOM 1359 C MET A 206 -5.665 0.538 -3.202 1.00 0.00 C ATOM 1360 O MET A 206 -4.697 1.148 -2.754 1.00 0.00 O ATOM 1361 CB MET A 206 -6.959 -1.270 -2.051 1.00 0.00 C ATOM 1362 CG MET A 206 -8.166 -1.679 -1.196 1.00 0.00 C ATOM 1363 SD MET A 206 -8.749 -3.348 -1.536 1.00 0.00 S ATOM 1364 CE MET A 206 -7.576 -4.284 -0.551 1.00 0.00 C ATOM 0 H MET A 206 -8.730 0.009 -3.156 1.00 0.00 H new ATOM 0 HA MET A 206 -6.729 0.735 -1.329 1.00 0.00 H new ATOM 0 HB2 MET A 206 -7.018 -1.780 -3.013 1.00 0.00 H new ATOM 0 HB3 MET A 206 -6.047 -1.614 -1.563 1.00 0.00 H new ATOM 0 HG2 MET A 206 -7.898 -1.603 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 206 -8.980 -0.975 -1.369 1.00 0.00 H new ATOM 0 HE1 MET A 206 -7.733 -5.350 -0.714 1.00 0.00 H new ATOM 0 HE2 MET A 206 -6.561 -4.018 -0.845 1.00 0.00 H new ATOM 0 HE3 MET A 206 -7.721 -4.053 0.504 1.00 0.00 H new ATOM 1374 N GLU A 207 -5.781 0.172 -4.485 1.00 0.00 N ATOM 1375 CA GLU A 207 -4.822 0.467 -5.539 1.00 0.00 C ATOM 1376 C GLU A 207 -4.483 1.948 -5.478 1.00 0.00 C ATOM 1377 O GLU A 207 -3.322 2.287 -5.297 1.00 0.00 O ATOM 1378 CB GLU A 207 -5.363 0.070 -6.927 1.00 0.00 C ATOM 1379 CG GLU A 207 -5.508 -1.447 -7.126 1.00 0.00 C ATOM 1380 CD GLU A 207 -4.594 -2.007 -8.218 1.00 0.00 C ATOM 1381 OE1 GLU A 207 -3.359 -2.057 -8.045 1.00 0.00 O ATOM 1382 OE2 GLU A 207 -5.109 -2.507 -9.252 1.00 0.00 O ATOM 0 H GLU A 207 -6.583 -0.360 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 207 -3.919 -0.123 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -6.335 0.541 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -4.696 0.465 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -5.289 -1.952 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -6.544 -1.676 -7.377 1.00 0.00 H new ATOM 1389 N ARG A 208 -5.480 2.835 -5.560 1.00 0.00 N ATOM 1390 CA ARG A 208 -5.275 4.282 -5.492 1.00 0.00 C ATOM 1391 C ARG A 208 -4.465 4.702 -4.273 1.00 0.00 C ATOM 1392 O ARG A 208 -3.481 5.430 -4.404 1.00 0.00 O ATOM 1393 CB ARG A 208 -6.630 5.004 -5.478 1.00 0.00 C ATOM 1394 CG ARG A 208 -6.784 5.913 -6.692 1.00 0.00 C ATOM 1395 CD ARG A 208 -5.681 6.966 -6.831 1.00 0.00 C ATOM 1396 NE ARG A 208 -4.743 6.689 -7.936 1.00 0.00 N ATOM 1397 CZ ARG A 208 -5.047 6.631 -9.236 1.00 0.00 C ATOM 1398 NH1 ARG A 208 -6.232 7.039 -9.682 1.00 0.00 N ATOM 1399 NH2 ARG A 208 -4.142 6.171 -10.082 1.00 0.00 N ATOM 0 H ARG A 208 -6.457 2.566 -5.676 1.00 0.00 H new ATOM 0 HA ARG A 208 -4.706 4.564 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 208 -7.436 4.270 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 208 -6.721 5.593 -4.566 1.00 0.00 H new ATOM 0 HG2 ARG A 208 -6.800 5.299 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 208 -7.748 6.418 -6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 208 -6.139 7.942 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 208 -5.123 7.023 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 208 -3.768 6.526 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 208 -6.925 7.403 -9.028 1.00 0.00 H new ATOM 0 HH12 ARG A 208 -6.447 6.988 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 208 -3.231 5.868 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 208 -4.355 6.119 -11.078 1.00 0.00 H new ATOM 1413 N VAL A 209 -4.946 4.331 -3.088 1.00 0.00 N ATOM 1414 CA VAL A 209 -4.403 4.808 -1.832 1.00 0.00 C ATOM 1415 C VAL A 209 -2.958 4.341 -1.709 1.00 0.00 C ATOM 1416 O VAL A 209 -2.064 5.161 -1.482 1.00 0.00 O ATOM 1417 CB VAL A 209 -5.367 4.425 -0.678 1.00 0.00 C ATOM 1418 CG1 VAL A 209 -4.785 3.912 0.645 1.00 0.00 C ATOM 1419 CG2 VAL A 209 -6.244 5.643 -0.380 1.00 0.00 C ATOM 0 H VAL A 209 -5.729 3.686 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 209 -4.344 5.895 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 209 -5.894 3.552 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 209 -5.597 3.692 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 209 -4.209 3.005 0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 209 -4.136 4.674 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 209 -6.934 5.405 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 209 -5.614 6.482 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 209 -6.809 5.911 -1.272 1.00 0.00 H new ATOM 1429 N VAL A 210 -2.714 3.049 -1.894 1.00 0.00 N ATOM 1430 CA VAL A 210 -1.389 2.489 -1.696 1.00 0.00 C ATOM 1431 C VAL A 210 -0.457 2.998 -2.807 1.00 0.00 C ATOM 1432 O VAL A 210 0.708 3.245 -2.527 1.00 0.00 O ATOM 1433 CB VAL A 210 -1.480 0.948 -1.648 1.00 0.00 C ATOM 1434 CG1 VAL A 210 -0.102 0.300 -1.467 1.00 0.00 C ATOM 1435 CG2 VAL A 210 -2.368 0.469 -0.482 1.00 0.00 C ATOM 0 H VAL A 210 -3.420 2.371 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 210 -0.969 2.812 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 210 -1.912 0.648 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -0.211 -0.784 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 210 0.543 0.578 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 210 0.342 0.645 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -2.409 -0.620 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -1.949 0.819 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -3.375 0.870 -0.603 1.00 0.00 H new ATOM 1445 N GLU A 211 -0.935 3.196 -4.040 1.00 0.00 N ATOM 1446 CA GLU A 211 -0.150 3.680 -5.177 1.00 0.00 C ATOM 1447 C GLU A 211 0.456 5.043 -4.864 1.00 0.00 C ATOM 1448 O GLU A 211 1.656 5.252 -5.053 1.00 0.00 O ATOM 1449 CB GLU A 211 -1.062 3.691 -6.417 1.00 0.00 C ATOM 1450 CG GLU A 211 -0.475 4.258 -7.705 1.00 0.00 C ATOM 1451 CD GLU A 211 -0.836 5.729 -7.937 1.00 0.00 C ATOM 1452 OE1 GLU A 211 -1.971 6.019 -8.376 1.00 0.00 O ATOM 1453 OE2 GLU A 211 0.064 6.591 -7.828 1.00 0.00 O ATOM 0 H GLU A 211 -1.910 3.018 -4.280 1.00 0.00 H new ATOM 0 HA GLU A 211 0.694 3.021 -5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -1.380 2.667 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -1.958 4.262 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.610 4.157 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 211 -0.829 3.666 -8.549 1.00 0.00 H new ATOM 1460 N GLN A 212 -0.373 5.952 -4.361 1.00 0.00 N ATOM 1461 CA GLN A 212 -0.007 7.292 -3.958 1.00 0.00 C ATOM 1462 C GLN A 212 0.922 7.272 -2.731 1.00 0.00 C ATOM 1463 O GLN A 212 1.889 8.039 -2.667 1.00 0.00 O ATOM 1464 CB GLN A 212 -1.342 8.019 -3.763 1.00 0.00 C ATOM 1465 CG GLN A 212 -1.157 9.523 -3.615 1.00 0.00 C ATOM 1466 CD GLN A 212 -1.233 9.923 -2.152 1.00 0.00 C ATOM 1467 OE1 GLN A 212 -0.498 9.451 -1.292 1.00 0.00 O ATOM 1468 NE2 GLN A 212 -2.185 10.760 -1.817 1.00 0.00 N ATOM 0 H GLN A 212 -1.364 5.758 -4.219 1.00 0.00 H new ATOM 0 HA GLN A 212 0.590 7.825 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -1.993 7.816 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -1.842 7.627 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -0.194 9.820 -4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -1.925 10.048 -4.183 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -2.795 11.152 -2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -2.315 11.020 -0.839 1.00 0.00 H new ATOM 1477 N MET A 213 0.670 6.382 -1.767 1.00 0.00 N ATOM 1478 CA MET A 213 1.480 6.239 -0.557 1.00 0.00 C ATOM 1479 C MET A 213 2.861 5.677 -0.866 1.00 0.00 C ATOM 1480 O MET A 213 3.848 6.142 -0.302 1.00 0.00 O ATOM 1481 CB MET A 213 0.781 5.288 0.413 1.00 0.00 C ATOM 1482 CG MET A 213 -0.364 5.987 1.130 1.00 0.00 C ATOM 1483 SD MET A 213 -1.607 4.815 1.733 1.00 0.00 S ATOM 1484 CE MET A 213 -1.219 4.792 3.490 1.00 0.00 C ATOM 0 H MET A 213 -0.115 5.731 -1.807 1.00 0.00 H new ATOM 0 HA MET A 213 1.596 7.230 -0.119 1.00 0.00 H new ATOM 0 HB2 MET A 213 0.401 4.423 -0.130 1.00 0.00 H new ATOM 0 HB3 MET A 213 1.499 4.915 1.144 1.00 0.00 H new ATOM 0 HG2 MET A 213 0.030 6.560 1.969 1.00 0.00 H new ATOM 0 HG3 MET A 213 -0.836 6.698 0.452 1.00 0.00 H new ATOM 0 HE1 MET A 213 -1.900 4.113 4.004 1.00 0.00 H new ATOM 0 HE2 MET A 213 -0.193 4.453 3.632 1.00 0.00 H new ATOM 0 HE3 MET A 213 -1.329 5.796 3.900 1.00 0.00 H new ATOM 1494 N CYS A 214 2.944 4.662 -1.724 1.00 0.00 N ATOM 1495 CA CYS A 214 4.178 3.967 -2.046 1.00 0.00 C ATOM 1496 C CYS A 214 5.204 4.942 -2.630 1.00 0.00 C ATOM 1497 O CYS A 214 6.394 4.747 -2.408 1.00 0.00 O ATOM 1498 CB CYS A 214 3.882 2.753 -2.917 1.00 0.00 C ATOM 1499 SG CYS A 214 5.166 1.487 -2.762 1.00 0.00 S ATOM 0 H CYS A 214 2.134 4.295 -2.223 1.00 0.00 H new ATOM 0 HA CYS A 214 4.641 3.573 -1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 214 2.918 2.330 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 214 3.801 3.064 -3.959 1.00 0.00 H new ATOM 1504 N VAL A 215 4.780 6.032 -3.282 1.00 0.00 N ATOM 1505 CA VAL A 215 5.629 7.093 -3.754 1.00 0.00 C ATOM 1506 C VAL A 215 6.182 7.903 -2.580 1.00 0.00 C ATOM 1507 O VAL A 215 7.375 8.161 -2.552 1.00 0.00 O ATOM 1508 CB VAL A 215 4.782 7.932 -4.716 1.00 0.00 C ATOM 1509 CG1 VAL A 215 5.558 9.130 -5.208 1.00 0.00 C ATOM 1510 CG2 VAL A 215 4.379 7.112 -5.941 1.00 0.00 C ATOM 0 H VAL A 215 3.795 6.189 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 215 6.505 6.712 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 215 3.897 8.252 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 215 4.937 9.711 -5.890 1.00 0.00 H new ATOM 0 HG12 VAL A 215 5.845 9.751 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.454 8.794 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 215 3.778 7.728 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 215 5.274 6.775 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 215 3.797 6.247 -5.624 1.00 0.00 H new ATOM 1520 N THR A 216 5.378 8.307 -1.597 1.00 0.00 N ATOM 1521 CA THR A 216 5.910 8.944 -0.388 1.00 0.00 C ATOM 1522 C THR A 216 6.876 8.022 0.318 1.00 0.00 C ATOM 1523 O THR A 216 7.979 8.446 0.644 1.00 0.00 O ATOM 1524 CB THR A 216 4.747 9.353 0.534 1.00 0.00 C ATOM 1525 OG1 THR A 216 4.089 10.486 -0.003 1.00 0.00 O ATOM 1526 CG2 THR A 216 5.187 9.621 1.978 1.00 0.00 C ATOM 0 H THR A 216 4.363 8.207 -1.611 1.00 0.00 H new ATOM 0 HA THR A 216 6.462 9.842 -0.667 1.00 0.00 H new ATOM 0 HB THR A 216 4.059 8.509 0.577 1.00 0.00 H new ATOM 0 HG1 THR A 216 3.348 10.743 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 216 4.321 9.905 2.576 1.00 0.00 H new ATOM 0 HG22 THR A 216 5.636 8.719 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 216 5.918 10.430 1.992 1.00 0.00 H new ATOM 1534 N GLN A 217 6.478 6.786 0.589 1.00 0.00 N ATOM 1535 CA GLN A 217 7.338 5.887 1.319 1.00 0.00 C ATOM 1536 C GLN A 217 8.652 5.676 0.536 1.00 0.00 C ATOM 1537 O GLN A 217 9.724 5.680 1.147 1.00 0.00 O ATOM 1538 CB GLN A 217 6.502 4.659 1.705 1.00 0.00 C ATOM 1539 CG GLN A 217 7.330 3.540 2.316 1.00 0.00 C ATOM 1540 CD GLN A 217 7.904 3.980 3.653 1.00 0.00 C ATOM 1541 OE1 GLN A 217 7.169 4.160 4.626 1.00 0.00 O ATOM 1542 NE2 GLN A 217 9.189 4.258 3.695 1.00 0.00 N ATOM 0 H GLN A 217 5.577 6.394 0.316 1.00 0.00 H new ATOM 0 HA GLN A 217 7.700 6.278 2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 217 5.731 4.961 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 217 5.991 4.282 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 217 6.711 2.653 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 217 8.138 3.264 1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 217 9.772 4.098 2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 217 9.602 4.633 4.549 1.00 0.00 H new ATOM 1551 N TYR A 218 8.593 5.653 -0.797 1.00 0.00 N ATOM 1552 CA TYR A 218 9.759 5.677 -1.666 1.00 0.00 C ATOM 1553 C TYR A 218 10.555 6.960 -1.551 1.00 0.00 C ATOM 1554 O TYR A 218 11.774 6.890 -1.550 1.00 0.00 O ATOM 1555 CB TYR A 218 9.319 5.479 -3.121 1.00 0.00 C ATOM 1556 CG TYR A 218 10.370 5.746 -4.183 1.00 0.00 C ATOM 1557 CD1 TYR A 218 11.216 4.726 -4.661 1.00 0.00 C ATOM 1558 CD2 TYR A 218 10.471 7.042 -4.721 1.00 0.00 C ATOM 1559 CE1 TYR A 218 12.136 4.990 -5.693 1.00 0.00 C ATOM 1560 CE2 TYR A 218 11.438 7.330 -5.696 1.00 0.00 C ATOM 1561 CZ TYR A 218 12.262 6.303 -6.202 1.00 0.00 C ATOM 1562 OH TYR A 218 13.135 6.580 -7.207 1.00 0.00 O ATOM 0 H TYR A 218 7.711 5.616 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 218 10.411 4.864 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 218 8.969 4.453 -3.236 1.00 0.00 H new ATOM 0 HB3 TYR A 218 8.466 6.130 -3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 218 11.158 3.736 -4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 218 9.801 7.819 -4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 218 12.743 4.192 -6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 218 11.552 8.340 -6.060 1.00 0.00 H new ATOM 0 HH TYR A 218 13.086 7.533 -7.429 1.00 0.00 H new ATOM 1572 N GLN A 219 9.949 8.139 -1.455 1.00 0.00 N ATOM 1573 CA GLN A 219 10.706 9.383 -1.346 1.00 0.00 C ATOM 1574 C GLN A 219 11.563 9.411 -0.070 1.00 0.00 C ATOM 1575 O GLN A 219 12.442 10.255 0.039 1.00 0.00 O ATOM 1576 CB GLN A 219 9.747 10.588 -1.371 1.00 0.00 C ATOM 1577 CG GLN A 219 9.156 10.895 -2.759 1.00 0.00 C ATOM 1578 CD GLN A 219 7.959 11.847 -2.682 1.00 0.00 C ATOM 1579 OE1 GLN A 219 7.235 11.920 -1.690 1.00 0.00 O ATOM 1580 NE2 GLN A 219 7.665 12.583 -3.737 1.00 0.00 N ATOM 0 H GLN A 219 8.936 8.260 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 219 11.380 9.442 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 219 8.930 10.403 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 219 10.279 11.469 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 219 9.927 11.335 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 219 8.847 9.964 -3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 219 8.252 12.538 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 219 6.851 13.197 -3.720 1.00 0.00 H new ATOM 1589 N LYS A 220 11.348 8.499 0.885 1.00 0.00 N ATOM 1590 CA LYS A 220 12.263 8.226 1.976 1.00 0.00 C ATOM 1591 C LYS A 220 13.215 7.154 1.486 1.00 0.00 C ATOM 1592 O LYS A 220 14.358 7.495 1.225 1.00 0.00 O ATOM 1593 CB LYS A 220 11.544 7.826 3.275 1.00 0.00 C ATOM 1594 CG LYS A 220 10.707 8.965 3.877 1.00 0.00 C ATOM 1595 CD LYS A 220 9.386 9.186 3.135 1.00 0.00 C ATOM 1596 CE LYS A 220 8.479 10.201 3.839 1.00 0.00 C ATOM 1597 NZ LYS A 220 7.966 9.727 5.139 1.00 0.00 N ATOM 0 H LYS A 220 10.508 7.921 0.912 1.00 0.00 H new ATOM 0 HA LYS A 220 12.809 9.131 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 220 10.895 6.973 3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 220 12.283 7.501 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 220 10.498 8.742 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 220 11.288 9.887 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 220 9.595 9.532 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 220 8.860 8.235 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 220 9.033 11.127 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 220 7.637 10.437 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 220 7.269 10.406 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 220 7.513 8.799 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 220 8.754 9.642 5.813 1.00 0.00 H new ATOM 1611 N GLU A 221 12.773 5.903 1.313 1.00 0.00 N ATOM 1612 CA GLU A 221 13.672 4.768 1.071 1.00 0.00 C ATOM 1613 C GLU A 221 14.628 5.012 -0.097 1.00 0.00 C ATOM 1614 O GLU A 221 15.764 4.551 -0.046 1.00 0.00 O ATOM 1615 CB GLU A 221 12.888 3.489 0.754 1.00 0.00 C ATOM 1616 CG GLU A 221 12.012 2.956 1.898 1.00 0.00 C ATOM 1617 CD GLU A 221 12.772 2.224 3.008 1.00 0.00 C ATOM 1618 OE1 GLU A 221 13.739 1.474 2.718 1.00 0.00 O ATOM 1619 OE2 GLU A 221 12.308 2.290 4.167 1.00 0.00 O ATOM 0 H GLU A 221 11.785 5.649 1.337 1.00 0.00 H new ATOM 0 HA GLU A 221 14.242 4.655 1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 221 12.252 3.677 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 221 13.595 2.711 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 221 11.470 3.792 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 221 11.268 2.278 1.480 1.00 0.00 H new ATOM 1626 N SER A 222 14.191 5.703 -1.150 1.00 0.00 N ATOM 1627 CA SER A 222 15.030 6.044 -2.279 1.00 0.00 C ATOM 1628 C SER A 222 16.037 7.087 -1.874 1.00 0.00 C ATOM 1629 O SER A 222 17.233 6.869 -2.036 1.00 0.00 O ATOM 1630 CB SER A 222 14.228 6.598 -3.465 1.00 0.00 C ATOM 1631 OG SER A 222 13.530 7.809 -3.249 1.00 0.00 O ATOM 0 H SER A 222 13.233 6.041 -1.236 1.00 0.00 H new ATOM 0 HA SER A 222 15.519 5.121 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 222 14.913 6.744 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 222 13.508 5.840 -3.772 1.00 0.00 H new ATOM 0 HG SER A 222 12.932 7.709 -2.479 1.00 0.00 H new ATOM 1637 N GLN A 223 15.547 8.245 -1.420 1.00 0.00 N ATOM 1638 CA GLN A 223 16.388 9.406 -1.327 1.00 0.00 C ATOM 1639 C GLN A 223 17.375 9.195 -0.190 1.00 0.00 C ATOM 1640 O GLN A 223 18.545 9.530 -0.305 1.00 0.00 O ATOM 1641 CB GLN A 223 15.605 10.714 -1.139 1.00 0.00 C ATOM 1642 CG GLN A 223 15.086 11.275 -2.473 1.00 0.00 C ATOM 1643 CD GLN A 223 16.242 11.572 -3.435 1.00 0.00 C ATOM 1644 OE1 GLN A 223 17.302 12.049 -3.036 1.00 0.00 O ATOM 1645 NE2 GLN A 223 16.114 11.257 -4.710 1.00 0.00 N ATOM 0 H GLN A 223 14.583 8.387 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 223 16.913 9.518 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 223 14.764 10.539 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 223 16.246 11.454 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 223 14.403 10.559 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 223 14.517 12.187 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 223 15.239 10.860 -5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 223 16.890 11.410 -5.354 1.00 0.00 H new ATOM 1654 N ALA A 224 16.936 8.522 0.866 1.00 0.00 N ATOM 1655 CA ALA A 224 17.755 8.036 1.952 1.00 0.00 C ATOM 1656 C ALA A 224 18.896 7.130 1.478 1.00 0.00 C ATOM 1657 O ALA A 224 19.868 6.951 2.219 1.00 0.00 O ATOM 1658 CB ALA A 224 16.815 7.246 2.872 1.00 0.00 C ATOM 0 H ALA A 224 15.950 8.293 0.987 1.00 0.00 H new ATOM 0 HA ALA A 224 18.230 8.877 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 224 17.380 6.851 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 224 16.027 7.904 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 224 16.370 6.421 2.316 1.00 0.00 H new ATOM 1664 N TYR A 225 18.794 6.601 0.259 1.00 0.00 N ATOM 1665 CA TYR A 225 19.738 5.742 -0.430 1.00 0.00 C ATOM 1666 C TYR A 225 20.365 6.441 -1.641 1.00 0.00 C ATOM 1667 O TYR A 225 20.989 5.783 -2.470 1.00 0.00 O ATOM 1668 CB TYR A 225 19.003 4.493 -0.925 1.00 0.00 C ATOM 1669 CG TYR A 225 19.724 3.185 -0.732 1.00 0.00 C ATOM 1670 CD1 TYR A 225 21.109 3.050 -0.960 1.00 0.00 C ATOM 1671 CD2 TYR A 225 18.969 2.089 -0.285 1.00 0.00 C ATOM 1672 CE1 TYR A 225 21.758 1.851 -0.614 1.00 0.00 C ATOM 1673 CE2 TYR A 225 19.611 0.882 0.029 1.00 0.00 C ATOM 1674 CZ TYR A 225 21.011 0.764 -0.108 1.00 0.00 C ATOM 1675 OH TYR A 225 21.628 -0.409 0.183 1.00 0.00 O ATOM 0 H TYR A 225 17.972 6.783 -0.317 1.00 0.00 H new ATOM 0 HA TYR A 225 20.532 5.486 0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 225 18.042 4.435 -0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 225 18.792 4.616 -1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 225 21.669 3.863 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 225 17.897 2.175 -0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 225 22.827 1.761 -0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 225 19.032 0.039 0.377 1.00 0.00 H new ATOM 0 HH TYR A 225 20.969 -1.050 0.522 1.00 0.00 H new ATOM 1685 N TYR A 226 20.223 7.753 -1.787 1.00 0.00 N ATOM 1686 CA TYR A 226 20.648 8.491 -2.971 1.00 0.00 C ATOM 1687 C TYR A 226 21.361 9.758 -2.549 1.00 0.00 C ATOM 1688 O TYR A 226 22.502 9.976 -2.934 1.00 0.00 O ATOM 1689 CB TYR A 226 19.409 8.834 -3.806 1.00 0.00 C ATOM 1690 CG TYR A 226 19.201 8.075 -5.093 1.00 0.00 C ATOM 1691 CD1 TYR A 226 18.935 6.689 -5.113 1.00 0.00 C ATOM 1692 CD2 TYR A 226 19.159 8.824 -6.279 1.00 0.00 C ATOM 1693 CE1 TYR A 226 18.622 6.064 -6.337 1.00 0.00 C ATOM 1694 CE2 TYR A 226 18.810 8.209 -7.490 1.00 0.00 C ATOM 1695 CZ TYR A 226 18.538 6.825 -7.529 1.00 0.00 C ATOM 1696 OH TYR A 226 18.124 6.264 -8.698 1.00 0.00 O ATOM 0 H TYR A 226 19.801 8.345 -1.072 1.00 0.00 H new ATOM 0 HA TYR A 226 21.333 7.887 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 226 18.530 8.681 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 226 19.449 9.897 -4.046 1.00 0.00 H new ATOM 0 HD1 TYR A 226 18.971 6.113 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 226 19.396 9.877 -6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 226 18.445 4.999 -6.366 1.00 0.00 H new ATOM 0 HE2 TYR A 226 18.749 8.796 -8.395 1.00 0.00 H new ATOM 0 HH TYR A 226 18.130 6.941 -9.406 1.00 0.00 H new ATOM 1706 N ASP A 227 20.689 10.541 -1.709 1.00 0.00 N ATOM 1707 CA ASP A 227 21.031 11.876 -1.242 1.00 0.00 C ATOM 1708 C ASP A 227 22.510 11.966 -0.857 1.00 0.00 C ATOM 1709 O ASP A 227 23.197 12.905 -1.248 1.00 0.00 O ATOM 1710 CB ASP A 227 20.080 12.155 -0.059 1.00 0.00 C ATOM 1711 CG ASP A 227 20.209 13.501 0.645 1.00 0.00 C ATOM 1712 OD1 ASP A 227 21.221 14.214 0.511 1.00 0.00 O ATOM 1713 OD2 ASP A 227 19.258 13.847 1.387 1.00 0.00 O ATOM 0 H ASP A 227 19.809 10.224 -1.302 1.00 0.00 H new ATOM 0 HA ASP A 227 20.903 12.631 -2.018 1.00 0.00 H new ATOM 0 HB2 ASP A 227 19.056 12.062 -0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 227 20.228 11.371 0.684 1.00 0.00 H new ATOM 1718 N GLY A 228 23.004 10.923 -0.182 1.00 0.00 N ATOM 1719 CA GLY A 228 24.409 10.789 0.192 1.00 0.00 C ATOM 1720 C GLY A 228 25.015 9.438 -0.182 1.00 0.00 C ATOM 1721 O GLY A 228 25.923 8.991 0.516 1.00 0.00 O ATOM 0 H GLY A 228 22.428 10.139 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 228 24.982 11.581 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 228 24.506 10.936 1.268 1.00 0.00 H new ATOM 1725 N ARG A 229 24.467 8.702 -1.162 1.00 0.00 N ATOM 1726 CA ARG A 229 24.704 7.279 -1.351 1.00 0.00 C ATOM 1727 C ARG A 229 24.808 6.919 -2.844 1.00 0.00 C ATOM 1728 O ARG A 229 25.869 7.137 -3.433 1.00 0.00 O ATOM 1729 CB ARG A 229 23.554 6.552 -0.657 1.00 0.00 C ATOM 1730 CG ARG A 229 23.385 6.699 0.855 1.00 0.00 C ATOM 1731 CD ARG A 229 24.521 6.126 1.696 1.00 0.00 C ATOM 1732 NE ARG A 229 24.110 6.149 3.110 1.00 0.00 N ATOM 1733 CZ ARG A 229 23.416 5.190 3.734 1.00 0.00 C ATOM 1734 NH1 ARG A 229 23.229 4.001 3.164 1.00 0.00 N ATOM 1735 NH2 ARG A 229 22.909 5.449 4.932 1.00 0.00 N ATOM 0 H ARG A 229 23.833 9.098 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 229 25.658 6.978 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 229 22.627 6.883 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 229 23.659 5.489 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG A 229 23.278 7.758 1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 229 22.455 6.212 1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 229 24.747 5.107 1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 229 25.430 6.712 1.556 1.00 0.00 H new ATOM 0 HE ARG A 229 24.377 6.965 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 229 23.617 3.812 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 229 22.698 3.280 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 229 23.052 6.364 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 229 22.376 4.733 5.426 1.00 0.00 H new