USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 969 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 27 THR OG1 : rot 93:sc= -0.811! USER MOD Set 1.2: A 28 SER OG : rot 97:sc= -7.09! USER MOD Single : A 12 HIS : no HD1:sc= -9.85! C(o=-9.8!,f=-15!) USER MOD Single : A 13 THR OG1 : rot -61:sc= -1.35! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 31:sc= 0.286 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.223 USER MOD Single : A 37 MET CE :methyl 139:sc= -0.478 (180deg=-3.37!) USER MOD Single : A 45 GLN : amide:sc= -0.0955 K(o=-0.095,f=-1.4!) USER MOD Single : A 47 ASN : amide:sc= -14.8! C(o=-15!,f=-18!) USER MOD Single : A 55 TYR OH : rot 5:sc= -0.838 USER MOD Single : A 56 ASN : amide:sc= -5.05! C(o=-5!,f=-4.2!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0274 USER MOD Single : A 66 TYR OH : rot 30:sc= -1.21 USER MOD Single : A 69 SER OG : rot 51:sc= 0.0555 USER MOD Single : A 71 THR OG1 : rot 17:sc= -9.09! USER MOD Single : A 73 SER OG : rot -19:sc= 0.474! USER MOD Single : A 75 THR OG1 : rot 136:sc= -0.0578 USER MOD Single : A 78 MET CE :methyl -137:sc= -0.0527 (180deg=-0.437) USER MOD Single : A 93 THR OG1 : rot 119:sc= -0.0167! USER MOD Single : A 97 GLN : amide:sc= -4.01! C(o=-4!,f=-7.2!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.348! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 111 TYR OH : rot -81:sc= -1.21! USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 115 SER OG : rot -3:sc= -8.22! USER MOD Single : A 116 ASN : amide:sc= 0.178 K(o=0.18,f=-2.5!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00253 USER MOD Single : A 128 GLN : amide:sc= -4.49! C(o=-4.5!,f=-3.3!) USER MOD Single : A 132 HIS : no HD1:sc= -7.71! K(o=-7.7!,f=-4.3) USER MOD Single : A 135 LYS NZ :NH3+ -103:sc= 0.00564 (180deg=0) USER MOD Single : A 139 TYR OH : rot 165:sc= -5.67! USER MOD Single : A 144 SER OG : rot 180:sc= -1.98 USER MOD Single : A 145 GLN : amide:sc= -2.28! C(o=-2.3!,f=-4!) USER MOD Single : A 147 SER OG : rot -160:sc= -0.91 USER MOD Single : A 149 THR OG1 : rot 167:sc= -3.15! USER MOD Single : A 150 THR OG1 : rot 105:sc= 0.743 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -12.371 -9.411 -9.938 1.00 2.11 N ATOM 82 CA VAL A 7 -12.889 -8.050 -10.259 1.00 2.12 C ATOM 83 C VAL A 7 -11.713 -7.104 -10.509 1.00 2.11 C ATOM 84 O VAL A 7 -11.367 -6.293 -9.673 1.00 2.83 O ATOM 85 CB VAL A 7 -13.721 -7.531 -9.085 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.787 -6.565 -9.603 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.400 -8.710 -8.384 1.00 2.42 C ATOM 0 HA VAL A 7 -13.512 -8.099 -11.152 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.072 -7.011 -8.380 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.380 -6.195 -8.767 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.305 -5.726 -10.105 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.437 -7.084 -10.307 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -14.994 -8.343 -7.547 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -15.049 -9.228 -9.090 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.641 -9.400 -8.015 1.00 2.42 H new ATOM 97 N GLU A 8 -11.095 -7.201 -11.654 1.00 1.96 N ATOM 98 CA GLU A 8 -9.942 -6.307 -11.957 1.00 2.32 C ATOM 99 C GLU A 8 -10.459 -4.917 -12.336 1.00 2.30 C ATOM 100 O GLU A 8 -11.027 -4.722 -13.393 1.00 2.59 O ATOM 101 CB GLU A 8 -9.140 -6.886 -13.123 1.00 3.06 C ATOM 102 CG GLU A 8 -7.644 -6.715 -12.851 1.00 3.55 C ATOM 103 CD GLU A 8 -6.841 -7.482 -13.904 1.00 4.20 C ATOM 104 OE1 GLU A 8 -7.454 -8.021 -14.811 1.00 4.42 O ATOM 105 OE2 GLU A 8 -5.627 -7.519 -13.783 1.00 4.75 O ATOM 0 H GLU A 8 -11.339 -7.861 -12.393 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.302 -6.230 -11.078 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -9.378 -7.942 -13.253 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -9.411 -6.382 -14.050 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -7.378 -5.658 -12.875 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -7.401 -7.083 -11.854 1.00 3.55 H new ATOM 112 N LEU A 9 -10.266 -3.949 -11.483 1.00 2.76 N ATOM 113 CA LEU A 9 -10.746 -2.573 -11.794 1.00 3.48 C ATOM 114 C LEU A 9 -9.781 -1.911 -12.780 1.00 3.43 C ATOM 115 O LEU A 9 -10.184 -1.373 -13.791 1.00 4.12 O ATOM 116 CB LEU A 9 -10.806 -1.752 -10.506 1.00 3.72 C ATOM 117 CG LEU A 9 -12.182 -1.917 -9.857 1.00 4.22 C ATOM 118 CD1 LEU A 9 -12.019 -2.067 -8.344 1.00 4.95 C ATOM 119 CD2 LEU A 9 -13.037 -0.683 -10.158 1.00 3.49 C ATOM 0 H LEU A 9 -9.796 -4.052 -10.583 1.00 2.76 H new ATOM 0 HA LEU A 9 -11.741 -2.623 -12.237 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -10.026 -2.079 -9.818 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -10.619 -0.700 -10.724 1.00 3.72 H new ATOM 0 HG LEU A 9 -12.669 -2.805 -10.259 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -12.999 -2.184 -7.882 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -11.409 -2.944 -8.129 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -11.532 -1.179 -7.941 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -14.018 -0.799 -9.697 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -12.549 0.205 -9.756 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -13.154 -0.576 -11.236 1.00 3.49 H new ATOM 131 N LEU A 10 -8.509 -1.945 -12.493 1.00 2.81 N ATOM 132 CA LEU A 10 -7.520 -1.318 -13.414 1.00 2.72 C ATOM 133 C LEU A 10 -6.934 -2.391 -14.336 1.00 2.86 C ATOM 134 O LEU A 10 -6.159 -3.223 -13.904 1.00 2.83 O ATOM 135 CB LEU A 10 -6.385 -0.694 -12.600 1.00 2.41 C ATOM 136 CG LEU A 10 -5.258 -0.257 -13.541 1.00 2.12 C ATOM 137 CD1 LEU A 10 -4.909 1.207 -13.275 1.00 1.99 C ATOM 138 CD2 LEU A 10 -4.018 -1.121 -13.295 1.00 2.07 C ATOM 0 H LEU A 10 -8.112 -2.380 -11.660 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.017 -0.549 -14.005 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -6.756 0.163 -12.038 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.007 -1.413 -11.873 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.587 -0.375 -14.573 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.107 1.517 -13.945 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -5.788 1.828 -13.449 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -4.583 1.321 -12.241 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -3.218 -0.808 -13.966 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -3.692 -1.004 -12.262 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -4.260 -2.167 -13.482 1.00 2.07 H new ATOM 150 N PRO A 11 -7.287 -2.375 -15.594 1.00 3.10 N ATOM 151 CA PRO A 11 -6.767 -3.366 -16.573 1.00 3.32 C ATOM 152 C PRO A 11 -5.342 -3.029 -17.013 1.00 2.96 C ATOM 153 O PRO A 11 -4.932 -3.338 -18.115 1.00 3.09 O ATOM 154 CB PRO A 11 -7.737 -3.257 -17.749 1.00 3.83 C ATOM 155 CG PRO A 11 -8.286 -1.870 -17.687 1.00 3.73 C ATOM 156 CD PRO A 11 -8.212 -1.419 -16.225 1.00 3.29 C ATOM 0 HA PRO A 11 -6.712 -4.371 -16.155 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.227 -3.435 -18.696 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -8.533 -3.998 -17.671 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -7.711 -1.200 -18.326 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.315 -1.847 -18.045 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -7.844 -0.396 -16.143 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.193 -1.444 -15.751 1.00 3.29 H new ATOM 164 N HIS A 12 -4.582 -2.393 -16.161 1.00 2.52 N ATOM 165 CA HIS A 12 -3.185 -2.035 -16.540 1.00 2.16 C ATOM 166 C HIS A 12 -2.211 -2.607 -15.508 1.00 1.83 C ATOM 167 O HIS A 12 -1.637 -1.888 -14.714 1.00 1.69 O ATOM 168 CB HIS A 12 -3.045 -0.513 -16.592 1.00 2.13 C ATOM 169 CG HIS A 12 -1.597 -0.136 -16.431 1.00 1.93 C ATOM 170 ND1 HIS A 12 -0.648 -0.422 -17.399 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.922 0.502 -15.420 1.00 1.81 C ATOM 172 CE1 HIS A 12 0.536 0.038 -16.955 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.425 0.611 -15.754 1.00 1.82 N ATOM 0 H HIS A 12 -4.867 -2.107 -15.224 1.00 2.52 H new ATOM 0 HA HIS A 12 -2.956 -2.453 -17.520 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -3.427 -0.134 -17.540 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.641 -0.055 -15.802 1.00 2.13 H new ATOM 0 HD2 HIS A 12 -1.368 0.864 -14.505 1.00 1.81 H new ATOM 0 HE1 HIS A 12 1.463 -0.046 -17.503 1.00 1.94 H new ATOM 0 HE2 HIS A 12 1.168 1.037 -15.200 1.00 1.82 H new ATOM 181 N THR A 13 -2.016 -3.897 -15.515 1.00 1.82 N ATOM 182 CA THR A 13 -1.076 -4.514 -14.538 1.00 1.56 C ATOM 183 C THR A 13 0.144 -5.056 -15.283 1.00 1.39 C ATOM 184 O THR A 13 0.628 -6.133 -15.000 1.00 1.58 O ATOM 185 CB THR A 13 -1.780 -5.659 -13.807 1.00 1.72 C ATOM 186 OG1 THR A 13 -0.862 -6.291 -12.926 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.295 -6.677 -14.826 1.00 1.97 C ATOM 0 H THR A 13 -2.467 -4.550 -16.155 1.00 1.82 H new ATOM 0 HA THR A 13 -0.757 -3.764 -13.814 1.00 1.56 H new ATOM 0 HB THR A 13 -2.620 -5.264 -13.235 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.114 -6.658 -13.441 1.00 1.59 H new ATOM 0 HG21 THR A 13 -2.796 -7.492 -14.304 1.00 1.97 H new ATOM 0 HG22 THR A 13 -2.999 -6.191 -15.502 1.00 1.97 H new ATOM 0 HG23 THR A 13 -1.457 -7.074 -15.399 1.00 1.97 H new ATOM 195 N SER A 14 0.642 -4.319 -16.238 1.00 1.20 N ATOM 196 CA SER A 14 1.828 -4.797 -17.002 1.00 1.07 C ATOM 197 C SER A 14 2.922 -3.725 -16.985 1.00 1.04 C ATOM 198 O SER A 14 3.281 -3.176 -18.008 1.00 1.10 O ATOM 199 CB SER A 14 1.419 -5.082 -18.448 1.00 1.14 C ATOM 200 OG SER A 14 0.347 -6.015 -18.458 1.00 1.96 O ATOM 0 H SER A 14 0.280 -3.409 -16.521 1.00 1.20 H new ATOM 0 HA SER A 14 2.210 -5.708 -16.542 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.117 -4.158 -18.941 1.00 1.14 H new ATOM 0 HB3 SER A 14 2.267 -5.479 -19.006 1.00 1.14 H new ATOM 0 HG SER A 14 0.082 -6.198 -19.383 1.00 1.96 H new ATOM 206 N PHE A 15 3.461 -3.429 -15.834 1.00 1.01 N ATOM 207 CA PHE A 15 4.537 -2.400 -15.758 1.00 1.00 C ATOM 208 C PHE A 15 5.783 -2.927 -16.474 1.00 1.00 C ATOM 209 O PHE A 15 6.885 -2.475 -16.235 1.00 0.98 O ATOM 210 CB PHE A 15 4.876 -2.121 -14.293 1.00 0.98 C ATOM 211 CG PHE A 15 3.923 -1.090 -13.733 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.552 -1.182 -14.004 1.00 1.11 C ATOM 213 CD2 PHE A 15 4.411 -0.044 -12.940 1.00 1.74 C ATOM 214 CE1 PHE A 15 1.670 -0.229 -13.482 1.00 1.14 C ATOM 215 CE2 PHE A 15 3.529 0.909 -12.418 1.00 1.76 C ATOM 216 CZ PHE A 15 2.157 0.816 -12.689 1.00 0.95 C ATOM 0 H PHE A 15 3.203 -3.855 -14.944 1.00 1.01 H new ATOM 0 HA PHE A 15 4.198 -1.479 -16.233 1.00 1.00 H new ATOM 0 HB2 PHE A 15 4.811 -3.042 -13.714 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.902 -1.764 -14.210 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.175 -1.988 -14.616 1.00 1.11 H new ATOM 0 HD2 PHE A 15 5.468 0.027 -12.731 1.00 1.74 H new ATOM 0 HE1 PHE A 15 0.613 -0.300 -13.691 1.00 1.14 H new ATOM 0 HE2 PHE A 15 3.905 1.716 -11.807 1.00 1.76 H new ATOM 0 HZ PHE A 15 1.476 1.551 -12.286 1.00 0.95 H new ATOM 226 N ALA A 16 5.617 -3.886 -17.343 1.00 1.06 N ATOM 227 CA ALA A 16 6.790 -4.453 -18.068 1.00 1.09 C ATOM 228 C ALA A 16 7.029 -3.681 -19.367 1.00 1.10 C ATOM 229 O ALA A 16 8.106 -3.716 -19.929 1.00 1.18 O ATOM 230 CB ALA A 16 6.519 -5.923 -18.393 1.00 1.14 C ATOM 0 H ALA A 16 4.717 -4.303 -17.583 1.00 1.06 H new ATOM 0 HA ALA A 16 7.675 -4.370 -17.437 1.00 1.09 H new ATOM 0 HB1 ALA A 16 7.374 -6.342 -18.923 1.00 1.14 H new ATOM 0 HB2 ALA A 16 6.359 -6.477 -17.468 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.631 -5.999 -19.020 1.00 1.14 H new ATOM 236 N GLU A 17 6.036 -2.990 -19.858 1.00 1.15 N ATOM 237 CA GLU A 17 6.218 -2.229 -21.123 1.00 1.19 C ATOM 238 C GLU A 17 6.220 -0.728 -20.833 1.00 1.29 C ATOM 239 O GLU A 17 7.260 -0.116 -20.694 1.00 1.41 O ATOM 240 CB GLU A 17 5.070 -2.561 -22.078 1.00 1.32 C ATOM 241 CG GLU A 17 5.458 -3.758 -22.949 1.00 1.41 C ATOM 242 CD GLU A 17 4.291 -4.119 -23.870 1.00 1.67 C ATOM 243 OE1 GLU A 17 3.179 -3.716 -23.571 1.00 1.96 O ATOM 244 OE2 GLU A 17 4.529 -4.793 -24.859 1.00 2.13 O ATOM 0 H GLU A 17 5.109 -2.921 -19.438 1.00 1.15 H new ATOM 0 HA GLU A 17 7.170 -2.505 -21.577 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.166 -2.788 -21.512 1.00 1.32 H new ATOM 0 HB3 GLU A 17 4.845 -1.699 -22.706 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.342 -3.519 -23.541 1.00 1.41 H new ATOM 0 HG3 GLU A 17 5.716 -4.610 -22.320 1.00 1.41 H new ATOM 251 N SER A 18 5.065 -0.128 -20.745 1.00 1.41 N ATOM 252 CA SER A 18 5.005 1.335 -20.469 1.00 1.64 C ATOM 253 C SER A 18 4.583 1.567 -19.018 1.00 1.51 C ATOM 254 O SER A 18 3.885 0.767 -18.428 1.00 1.30 O ATOM 255 CB SER A 18 3.989 1.988 -21.406 1.00 2.02 C ATOM 256 OG SER A 18 4.581 2.174 -22.685 1.00 2.26 O ATOM 0 H SER A 18 4.161 -0.587 -20.852 1.00 1.41 H new ATOM 0 HA SER A 18 5.988 1.775 -20.634 1.00 1.64 H new ATOM 0 HB2 SER A 18 3.101 1.362 -21.491 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.666 2.946 -20.999 1.00 2.02 H new ATOM 0 HG SER A 18 3.931 2.591 -23.289 1.00 2.26 H new ATOM 262 N LEU A 19 5.000 2.660 -18.438 1.00 1.67 N ATOM 263 CA LEU A 19 4.622 2.943 -17.025 1.00 1.59 C ATOM 264 C LEU A 19 3.106 2.808 -16.867 1.00 1.72 C ATOM 265 O LEU A 19 2.622 2.164 -15.957 1.00 2.45 O ATOM 266 CB LEU A 19 5.050 4.367 -16.659 1.00 1.61 C ATOM 267 CG LEU A 19 5.964 4.329 -15.434 1.00 1.71 C ATOM 268 CD1 LEU A 19 7.367 3.886 -15.856 1.00 2.60 C ATOM 269 CD2 LEU A 19 6.039 5.724 -14.810 1.00 1.37 C ATOM 0 H LEU A 19 5.585 3.368 -18.881 1.00 1.67 H new ATOM 0 HA LEU A 19 5.120 2.233 -16.365 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.570 4.829 -17.499 1.00 1.61 H new ATOM 0 HB3 LEU A 19 4.172 4.979 -16.452 1.00 1.61 H new ATOM 0 HG LEU A 19 5.563 3.624 -14.705 1.00 1.71 H new ATOM 0 HD11 LEU A 19 8.018 3.859 -14.982 1.00 2.60 H new ATOM 0 HD12 LEU A 19 7.316 2.892 -16.301 1.00 2.60 H new ATOM 0 HD13 LEU A 19 7.767 4.591 -16.585 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.691 5.697 -13.937 1.00 1.37 H new ATOM 0 HD22 LEU A 19 6.439 6.428 -15.540 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.041 6.042 -14.509 1.00 1.37 H new ATOM 281 N GLY A 20 2.352 3.408 -17.748 1.00 1.44 N ATOM 282 CA GLY A 20 0.869 3.312 -17.647 1.00 1.58 C ATOM 283 C GLY A 20 0.306 4.610 -17.065 1.00 1.59 C ATOM 284 O GLY A 20 1.021 5.574 -16.876 1.00 1.62 O ATOM 0 H GLY A 20 2.699 3.960 -18.532 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.439 3.127 -18.631 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.592 2.468 -17.015 1.00 1.58 H new ATOM 288 N PRO A 21 -0.968 4.629 -16.784 1.00 1.60 N ATOM 289 CA PRO A 21 -1.650 5.826 -16.212 1.00 1.60 C ATOM 290 C PRO A 21 -1.215 6.106 -14.772 1.00 1.43 C ATOM 291 O PRO A 21 -1.394 7.193 -14.260 1.00 1.67 O ATOM 292 CB PRO A 21 -3.137 5.465 -16.261 1.00 1.68 C ATOM 293 CG PRO A 21 -3.189 3.974 -16.307 1.00 1.70 C ATOM 294 CD PRO A 21 -1.899 3.508 -16.983 1.00 1.63 C ATOM 0 HA PRO A 21 -1.407 6.731 -16.768 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.662 5.848 -15.386 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.617 5.901 -17.137 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.271 3.559 -15.303 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.062 3.635 -16.864 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.521 2.590 -16.532 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.055 3.302 -18.042 1.00 1.63 H new ATOM 302 N TRP A 22 -0.644 5.134 -14.115 1.00 1.30 N ATOM 303 CA TRP A 22 -0.197 5.349 -12.709 1.00 1.15 C ATOM 304 C TRP A 22 0.772 6.533 -12.666 1.00 1.24 C ATOM 305 O TRP A 22 0.842 7.322 -13.587 1.00 1.48 O ATOM 306 CB TRP A 22 0.513 4.091 -12.200 1.00 1.19 C ATOM 307 CG TRP A 22 -0.483 2.994 -11.991 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.492 2.683 -12.837 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.580 2.055 -10.880 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.198 1.613 -12.319 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.677 1.191 -11.113 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.167 1.873 -9.704 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.016 0.179 -10.211 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.170 0.858 -8.795 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.260 0.013 -9.046 1.00 2.39 C ATOM 0 H TRP A 22 -0.468 4.202 -14.490 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.061 5.557 -12.078 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.270 3.775 -12.917 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.030 4.308 -11.265 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.710 3.188 -13.766 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.006 1.187 -12.773 1.00 1.52 H new ATOM 0 HE3 TRP A 22 1.007 2.519 -9.498 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -2.855 -0.470 -10.412 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.414 0.727 -7.896 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.515 -0.765 -8.341 1.00 2.39 H new ATOM 326 N SER A 23 1.521 6.665 -11.606 1.00 1.20 N ATOM 327 CA SER A 23 2.483 7.800 -11.511 1.00 1.36 C ATOM 328 C SER A 23 3.670 7.395 -10.633 1.00 1.28 C ATOM 329 O SER A 23 3.507 6.786 -9.594 1.00 1.33 O ATOM 330 CB SER A 23 1.782 9.012 -10.897 1.00 1.45 C ATOM 331 OG SER A 23 1.216 9.802 -11.934 1.00 1.64 O ATOM 0 H SER A 23 1.509 6.037 -10.802 1.00 1.20 H new ATOM 0 HA SER A 23 2.842 8.055 -12.508 1.00 1.36 H new ATOM 0 HB2 SER A 23 1.004 8.686 -10.207 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.492 9.604 -10.320 1.00 1.45 H new ATOM 0 HG SER A 23 0.955 9.223 -12.681 1.00 1.64 H new ATOM 337 N LEU A 24 4.863 7.728 -11.045 1.00 1.31 N ATOM 338 CA LEU A 24 6.059 7.362 -10.235 1.00 1.25 C ATOM 339 C LEU A 24 6.982 8.576 -10.106 1.00 1.30 C ATOM 340 O LEU A 24 7.002 9.445 -10.954 1.00 1.47 O ATOM 341 CB LEU A 24 6.810 6.220 -10.921 1.00 1.40 C ATOM 342 CG LEU A 24 7.902 5.693 -9.988 1.00 1.44 C ATOM 343 CD1 LEU A 24 8.104 4.196 -10.232 1.00 2.02 C ATOM 344 CD2 LEU A 24 9.213 6.435 -10.259 1.00 2.05 C ATOM 0 H LEU A 24 5.061 8.237 -11.906 1.00 1.31 H new ATOM 0 HA LEU A 24 5.740 7.043 -9.243 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.118 5.418 -11.177 1.00 1.40 H new ATOM 0 HB3 LEU A 24 7.252 6.570 -11.854 1.00 1.40 H new ATOM 0 HG LEU A 24 7.601 5.856 -8.953 1.00 1.44 H new ATOM 0 HD11 LEU A 24 8.882 3.821 -9.567 1.00 2.02 H new ATOM 0 HD12 LEU A 24 7.172 3.666 -10.035 1.00 2.02 H new ATOM 0 HD13 LEU A 24 8.402 4.033 -11.268 1.00 2.02 H new ATOM 0 HD21 LEU A 24 9.989 6.058 -9.593 1.00 2.05 H new ATOM 0 HD22 LEU A 24 9.514 6.275 -11.294 1.00 2.05 H new ATOM 0 HD23 LEU A 24 9.071 7.501 -10.083 1.00 2.05 H new ATOM 356 N TYR A 25 7.747 8.641 -9.050 1.00 1.23 N ATOM 357 CA TYR A 25 8.668 9.797 -8.866 1.00 1.38 C ATOM 358 C TYR A 25 9.196 9.804 -7.430 1.00 1.34 C ATOM 359 O TYR A 25 8.822 8.984 -6.615 1.00 1.42 O ATOM 360 CB TYR A 25 7.913 11.099 -9.138 1.00 1.72 C ATOM 361 CG TYR A 25 6.442 10.902 -8.856 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.035 10.054 -7.819 1.00 1.62 C ATOM 363 CD2 TYR A 25 5.485 11.565 -9.634 1.00 1.22 C ATOM 364 CE1 TYR A 25 4.673 9.871 -7.558 1.00 1.57 C ATOM 365 CE2 TYR A 25 4.123 11.382 -9.373 1.00 1.27 C ATOM 366 CZ TYR A 25 3.716 10.535 -8.336 1.00 1.08 C ATOM 367 OH TYR A 25 2.372 10.354 -8.079 1.00 1.63 O ATOM 0 H TYR A 25 7.773 7.943 -8.307 1.00 1.23 H new ATOM 0 HA TYR A 25 9.504 9.710 -9.560 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.309 11.898 -8.512 1.00 1.72 H new ATOM 0 HB3 TYR A 25 8.057 11.405 -10.174 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.773 9.541 -7.220 1.00 1.62 H new ATOM 0 HD2 TYR A 25 5.798 12.218 -10.435 1.00 1.22 H new ATOM 0 HE1 TYR A 25 4.359 9.218 -6.757 1.00 1.57 H new ATOM 0 HE2 TYR A 25 3.385 11.895 -9.972 1.00 1.27 H new ATOM 0 HH TYR A 25 1.844 10.887 -8.709 1.00 1.63 H new ATOM 377 N GLY A 26 10.062 10.728 -7.111 1.00 1.33 N ATOM 378 CA GLY A 26 10.609 10.789 -5.727 1.00 1.32 C ATOM 379 C GLY A 26 11.916 9.997 -5.650 1.00 1.25 C ATOM 380 O GLY A 26 12.795 10.311 -4.872 1.00 1.70 O ATOM 0 H GLY A 26 10.413 11.442 -7.749 1.00 1.33 H new ATOM 0 HA2 GLY A 26 10.784 11.826 -5.441 1.00 1.32 H new ATOM 0 HA3 GLY A 26 9.884 10.382 -5.022 1.00 1.32 H new ATOM 384 N THR A 27 12.053 8.972 -6.447 1.00 0.93 N ATOM 385 CA THR A 27 13.306 8.167 -6.408 1.00 0.90 C ATOM 386 C THR A 27 14.102 8.408 -7.694 1.00 0.92 C ATOM 387 O THR A 27 14.149 9.507 -8.210 1.00 0.97 O ATOM 388 CB THR A 27 12.936 6.682 -6.273 1.00 0.88 C ATOM 389 OG1 THR A 27 13.787 5.878 -7.077 1.00 0.73 O ATOM 390 CG2 THR A 27 11.484 6.474 -6.707 1.00 0.95 C ATOM 0 H THR A 27 11.354 8.659 -7.121 1.00 0.93 H new ATOM 0 HA THR A 27 13.921 8.461 -5.557 1.00 0.90 H new ATOM 0 HB THR A 27 13.057 6.388 -5.230 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.549 5.572 -6.542 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.223 5.420 -6.611 1.00 0.95 H new ATOM 0 HG22 THR A 27 10.826 7.070 -6.074 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.367 6.783 -7.746 1.00 0.95 H new ATOM 398 N SER A 28 14.721 7.390 -8.219 1.00 1.12 N ATOM 399 CA SER A 28 15.506 7.553 -9.473 1.00 1.40 C ATOM 400 C SER A 28 14.595 7.276 -10.670 1.00 1.29 C ATOM 401 O SER A 28 13.779 6.378 -10.642 1.00 0.98 O ATOM 402 CB SER A 28 16.674 6.566 -9.479 1.00 1.80 C ATOM 403 OG SER A 28 16.185 5.261 -9.196 1.00 1.73 O ATOM 0 H SER A 28 14.717 6.446 -7.832 1.00 1.12 H new ATOM 0 HA SER A 28 15.896 8.569 -9.534 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.171 6.579 -10.449 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.416 6.858 -8.736 1.00 1.80 H new ATOM 0 HG SER A 28 16.048 4.774 -10.035 1.00 1.73 H new ATOM 409 N GLU A 29 14.726 8.039 -11.720 1.00 1.62 N ATOM 410 CA GLU A 29 13.861 7.808 -12.911 1.00 1.60 C ATOM 411 C GLU A 29 13.647 6.300 -13.091 1.00 1.23 C ATOM 412 O GLU A 29 14.592 5.539 -13.113 1.00 1.37 O ATOM 413 CB GLU A 29 14.545 8.379 -14.154 1.00 2.07 C ATOM 414 CG GLU A 29 14.977 9.821 -13.884 1.00 1.86 C ATOM 415 CD GLU A 29 16.361 9.825 -13.231 1.00 1.99 C ATOM 416 OE1 GLU A 29 17.331 9.624 -13.943 1.00 2.40 O ATOM 417 OE2 GLU A 29 16.427 10.031 -12.031 1.00 2.35 O ATOM 0 H GLU A 29 15.391 8.808 -11.805 1.00 1.62 H new ATOM 0 HA GLU A 29 12.899 8.301 -12.769 1.00 1.60 H new ATOM 0 HB2 GLU A 29 15.412 7.772 -14.416 1.00 2.07 H new ATOM 0 HB3 GLU A 29 13.864 8.346 -15.004 1.00 2.07 H new ATOM 0 HG2 GLU A 29 15.001 10.385 -14.816 1.00 1.86 H new ATOM 0 HG3 GLU A 29 14.254 10.313 -13.233 1.00 1.86 H new ATOM 424 N PRO A 30 12.418 5.868 -13.220 1.00 0.95 N ATOM 425 CA PRO A 30 12.097 4.423 -13.400 1.00 0.81 C ATOM 426 C PRO A 30 12.499 3.923 -14.791 1.00 0.80 C ATOM 427 O PRO A 30 12.654 4.698 -15.712 1.00 0.86 O ATOM 428 CB PRO A 30 10.578 4.358 -13.228 1.00 0.94 C ATOM 429 CG PRO A 30 10.080 5.724 -13.565 1.00 1.13 C ATOM 430 CD PRO A 30 11.204 6.701 -13.212 1.00 1.10 C ATOM 0 HA PRO A 30 12.637 3.794 -12.692 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.140 3.607 -13.886 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.310 4.083 -12.208 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.825 5.793 -14.623 1.00 1.13 H new ATOM 0 HG3 PRO A 30 9.175 5.956 -13.003 1.00 1.13 H new ATOM 0 HD2 PRO A 30 11.271 7.511 -13.938 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.042 7.160 -12.237 1.00 1.10 H new ATOM 438 N VAL A 31 12.677 2.640 -14.954 1.00 0.80 N ATOM 439 CA VAL A 31 13.077 2.125 -16.295 1.00 0.82 C ATOM 440 C VAL A 31 12.453 0.750 -16.552 1.00 0.78 C ATOM 441 O VAL A 31 12.754 -0.215 -15.878 1.00 0.84 O ATOM 442 CB VAL A 31 14.601 2.005 -16.356 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.009 1.327 -17.665 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.224 3.403 -16.292 1.00 1.05 C ATOM 0 H VAL A 31 12.565 1.934 -14.227 1.00 0.80 H new ATOM 0 HA VAL A 31 12.724 2.820 -17.057 1.00 0.82 H new ATOM 0 HB VAL A 31 14.952 1.409 -15.514 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.095 1.242 -17.708 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.565 0.333 -17.714 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.658 1.923 -18.508 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.310 3.320 -16.335 1.00 1.05 H new ATOM 0 HG22 VAL A 31 14.872 3.997 -17.135 1.00 1.05 H new ATOM 0 HG23 VAL A 31 14.934 3.888 -15.360 1.00 1.05 H new ATOM 454 N PHE A 32 11.601 0.656 -17.540 1.00 0.74 N ATOM 455 CA PHE A 32 10.969 -0.655 -17.870 1.00 0.77 C ATOM 456 C PHE A 32 12.020 -1.576 -18.492 1.00 0.87 C ATOM 457 O PHE A 32 12.012 -1.838 -19.678 1.00 1.19 O ATOM 458 CB PHE A 32 9.816 -0.432 -18.853 1.00 0.78 C ATOM 459 CG PHE A 32 10.086 0.799 -19.687 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.356 1.022 -20.230 1.00 1.50 C ATOM 461 CD2 PHE A 32 9.056 1.719 -19.916 1.00 1.63 C ATOM 462 CE1 PHE A 32 11.596 2.166 -21.001 1.00 1.78 C ATOM 463 CE2 PHE A 32 9.296 2.863 -20.685 1.00 1.82 C ATOM 464 CZ PHE A 32 10.567 3.087 -21.228 1.00 1.56 C ATOM 0 H PHE A 32 11.315 1.434 -18.134 1.00 0.74 H new ATOM 0 HA PHE A 32 10.577 -1.117 -16.964 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.703 -1.303 -19.499 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.879 -0.315 -18.308 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.151 0.312 -20.055 1.00 1.50 H new ATOM 0 HD2 PHE A 32 8.075 1.546 -19.499 1.00 1.63 H new ATOM 0 HE1 PHE A 32 12.576 2.338 -21.421 1.00 1.78 H new ATOM 0 HE2 PHE A 32 8.501 3.573 -20.860 1.00 1.82 H new ATOM 0 HZ PHE A 32 10.753 3.970 -21.822 1.00 1.56 H new ATOM 474 N ALA A 33 12.930 -2.065 -17.694 1.00 0.77 N ATOM 475 CA ALA A 33 13.992 -2.963 -18.228 1.00 0.84 C ATOM 476 C ALA A 33 13.398 -4.335 -18.545 1.00 0.67 C ATOM 477 O ALA A 33 12.335 -4.439 -19.123 1.00 0.92 O ATOM 478 CB ALA A 33 15.100 -3.116 -17.184 1.00 1.17 C ATOM 0 H ALA A 33 12.983 -1.880 -16.692 1.00 0.77 H new ATOM 0 HA ALA A 33 14.405 -2.531 -19.140 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.878 -3.773 -17.573 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.528 -2.138 -16.962 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.684 -3.546 -16.273 1.00 1.17 H new ATOM 484 N ASP A 34 14.076 -5.386 -18.173 1.00 0.77 N ATOM 485 CA ASP A 34 13.552 -6.753 -18.455 1.00 0.85 C ATOM 486 C ASP A 34 12.047 -6.785 -18.182 1.00 0.84 C ATOM 487 O ASP A 34 11.609 -7.147 -17.108 1.00 0.99 O ATOM 488 CB ASP A 34 14.257 -7.766 -17.550 1.00 1.13 C ATOM 489 CG ASP A 34 15.212 -8.619 -18.386 1.00 1.54 C ATOM 490 OD1 ASP A 34 14.761 -9.192 -19.365 1.00 1.78 O ATOM 491 OD2 ASP A 34 16.378 -8.685 -18.034 1.00 2.21 O ATOM 0 H ASP A 34 14.971 -5.357 -17.685 1.00 0.77 H new ATOM 0 HA ASP A 34 13.739 -7.008 -19.498 1.00 0.85 H new ATOM 0 HB2 ASP A 34 14.808 -7.247 -16.766 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.522 -8.402 -17.056 1.00 1.13 H new ATOM 496 N GLY A 35 11.254 -6.408 -19.147 1.00 0.84 N ATOM 497 CA GLY A 35 9.778 -6.412 -18.947 1.00 1.02 C ATOM 498 C GLY A 35 9.453 -6.043 -17.499 1.00 0.90 C ATOM 499 O GLY A 35 8.632 -6.669 -16.861 1.00 1.19 O ATOM 0 H GLY A 35 11.566 -6.097 -20.067 1.00 0.84 H new ATOM 0 HA2 GLY A 35 9.307 -5.703 -19.628 1.00 1.02 H new ATOM 0 HA3 GLY A 35 9.372 -7.396 -19.181 1.00 1.02 H new ATOM 503 N ARG A 36 10.085 -5.027 -16.973 1.00 0.66 N ATOM 504 CA ARG A 36 9.797 -4.627 -15.568 1.00 0.63 C ATOM 505 C ARG A 36 10.333 -3.220 -15.310 1.00 0.62 C ATOM 506 O ARG A 36 11.342 -2.818 -15.852 1.00 0.68 O ATOM 507 CB ARG A 36 10.457 -5.616 -14.604 1.00 0.70 C ATOM 508 CG ARG A 36 11.959 -5.327 -14.509 1.00 1.16 C ATOM 509 CD ARG A 36 12.759 -6.633 -14.482 1.00 1.40 C ATOM 510 NE ARG A 36 11.912 -7.761 -13.987 1.00 2.02 N ATOM 511 CZ ARG A 36 11.188 -7.640 -12.908 1.00 2.19 C ATOM 512 NH1 ARG A 36 11.293 -6.577 -12.160 1.00 2.28 N ATOM 513 NH2 ARG A 36 10.385 -8.606 -12.552 1.00 2.91 N ATOM 0 H ARG A 36 10.784 -4.461 -17.454 1.00 0.66 H new ATOM 0 HA ARG A 36 8.719 -4.634 -15.408 1.00 0.63 H new ATOM 0 HB2 ARG A 36 9.999 -5.537 -13.618 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.295 -6.637 -14.949 1.00 0.70 H new ATOM 0 HG2 ARG A 36 12.272 -4.720 -15.358 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.167 -4.748 -13.609 1.00 1.16 H new ATOM 0 HD2 ARG A 36 13.128 -6.860 -15.482 1.00 1.40 H new ATOM 0 HD3 ARG A 36 13.632 -6.518 -13.839 1.00 1.40 H new ATOM 0 HE ARG A 36 11.900 -8.641 -14.502 1.00 2.02 H new ATOM 0 HH11 ARG A 36 11.944 -5.835 -12.417 1.00 2.28 H new ATOM 0 HH12 ARG A 36 10.725 -6.488 -11.318 1.00 2.28 H new ATOM 0 HH21 ARG A 36 10.324 -9.453 -13.117 1.00 2.91 H new ATOM 0 HH22 ARG A 36 9.818 -8.514 -11.709 1.00 2.91 H new ATOM 527 N MET A 37 9.660 -2.470 -14.481 1.00 0.63 N ATOM 528 CA MET A 37 10.123 -1.087 -14.182 1.00 0.67 C ATOM 529 C MET A 37 10.663 -1.038 -12.755 1.00 0.68 C ATOM 530 O MET A 37 9.991 -1.408 -11.812 1.00 0.67 O ATOM 531 CB MET A 37 8.948 -0.116 -14.321 1.00 0.71 C ATOM 532 CG MET A 37 9.426 1.308 -14.043 1.00 0.75 C ATOM 533 SD MET A 37 8.986 1.774 -12.350 1.00 0.88 S ATOM 534 CE MET A 37 7.216 2.017 -12.635 1.00 0.93 C ATOM 0 H MET A 37 8.809 -2.756 -13.998 1.00 0.63 H new ATOM 0 HA MET A 37 10.910 -0.802 -14.880 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.527 -0.180 -15.324 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.155 -0.387 -13.624 1.00 0.71 H new ATOM 0 HG2 MET A 37 10.505 1.374 -14.181 1.00 0.75 H new ATOM 0 HG3 MET A 37 8.971 2.000 -14.752 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.653 1.606 -11.797 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.005 3.082 -12.727 1.00 0.93 H new ATOM 0 HE3 MET A 37 6.922 1.509 -13.553 1.00 0.93 H new ATOM 544 N CYS A 38 11.879 -0.598 -12.589 1.00 0.73 N ATOM 545 CA CYS A 38 12.459 -0.545 -11.221 1.00 0.78 C ATOM 546 C CYS A 38 12.948 0.867 -10.905 1.00 0.89 C ATOM 547 O CYS A 38 13.276 1.641 -11.784 1.00 0.88 O ATOM 548 CB CYS A 38 13.634 -1.523 -11.131 1.00 0.79 C ATOM 549 SG CYS A 38 13.803 -2.117 -9.429 1.00 1.06 S ATOM 0 H CYS A 38 12.492 -0.275 -13.337 1.00 0.73 H new ATOM 0 HA CYS A 38 11.690 -0.821 -10.499 1.00 0.78 H new ATOM 0 HB2 CYS A 38 13.473 -2.364 -11.806 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.554 -1.032 -11.448 1.00 0.79 H new ATOM 554 N VAL A 39 13.006 1.196 -9.643 1.00 1.04 N ATOM 555 CA VAL A 39 13.482 2.544 -9.229 1.00 1.18 C ATOM 556 C VAL A 39 14.594 2.368 -8.193 1.00 1.37 C ATOM 557 O VAL A 39 14.762 1.302 -7.630 1.00 1.26 O ATOM 558 CB VAL A 39 12.327 3.329 -8.604 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.541 4.045 -9.703 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.399 2.363 -7.863 1.00 1.26 C ATOM 0 H VAL A 39 12.741 0.581 -8.874 1.00 1.04 H new ATOM 0 HA VAL A 39 13.856 3.089 -10.096 1.00 1.18 H new ATOM 0 HB VAL A 39 12.724 4.064 -7.904 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.718 4.604 -9.257 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.201 4.732 -10.234 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.143 3.310 -10.403 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.575 2.920 -7.417 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.003 1.629 -8.565 1.00 1.26 H new ATOM 0 HG23 VAL A 39 11.957 1.851 -7.079 1.00 1.26 H new ATOM 570 N ASP A 40 15.350 3.398 -7.932 1.00 1.71 N ATOM 571 CA ASP A 40 16.446 3.279 -6.930 1.00 1.97 C ATOM 572 C ASP A 40 15.982 3.854 -5.590 1.00 1.61 C ATOM 573 O ASP A 40 15.767 5.042 -5.455 1.00 2.31 O ATOM 574 CB ASP A 40 17.670 4.054 -7.420 1.00 3.21 C ATOM 575 CG ASP A 40 18.001 3.635 -8.853 1.00 4.09 C ATOM 576 OD1 ASP A 40 17.653 2.525 -9.220 1.00 4.39 O ATOM 577 OD2 ASP A 40 18.596 4.431 -9.560 1.00 4.79 O ATOM 0 H ASP A 40 15.257 4.315 -8.368 1.00 1.71 H new ATOM 0 HA ASP A 40 16.706 2.228 -6.802 1.00 1.97 H new ATOM 0 HB2 ASP A 40 17.475 5.126 -7.379 1.00 3.21 H new ATOM 0 HB3 ASP A 40 18.521 3.860 -6.768 1.00 3.21 H new ATOM 582 N LEU A 41 15.830 3.021 -4.595 1.00 1.25 N ATOM 583 CA LEU A 41 15.388 3.522 -3.264 1.00 1.86 C ATOM 584 C LEU A 41 16.518 3.324 -2.251 1.00 1.67 C ATOM 585 O LEU A 41 16.559 2.339 -1.540 1.00 1.20 O ATOM 586 CB LEU A 41 14.151 2.748 -2.795 1.00 2.45 C ATOM 587 CG LEU A 41 13.121 2.669 -3.924 1.00 2.88 C ATOM 588 CD1 LEU A 41 12.878 4.064 -4.498 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.644 1.749 -5.028 1.00 3.54 C ATOM 0 H LEU A 41 15.993 2.016 -4.648 1.00 1.25 H new ATOM 0 HA LEU A 41 15.139 4.580 -3.345 1.00 1.86 H new ATOM 0 HB2 LEU A 41 14.438 1.744 -2.483 1.00 2.45 H new ATOM 0 HB3 LEU A 41 13.713 3.239 -1.926 1.00 2.45 H new ATOM 0 HG LEU A 41 12.185 2.272 -3.531 1.00 2.88 H new ATOM 0 HD11 LEU A 41 12.144 4.004 -5.302 1.00 2.65 H new ATOM 0 HD12 LEU A 41 12.503 4.720 -3.713 1.00 2.65 H new ATOM 0 HD13 LEU A 41 13.813 4.464 -4.890 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.911 1.692 -5.832 1.00 3.54 H new ATOM 0 HD22 LEU A 41 14.581 2.146 -5.419 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.814 0.752 -4.621 1.00 3.54 H new ATOM 601 N PRO A 42 17.432 4.255 -2.195 1.00 2.30 N ATOM 602 CA PRO A 42 18.591 4.194 -1.262 1.00 2.32 C ATOM 603 C PRO A 42 18.218 4.638 0.156 1.00 1.85 C ATOM 604 O PRO A 42 17.769 3.852 0.966 1.00 2.18 O ATOM 605 CB PRO A 42 19.595 5.166 -1.881 1.00 3.11 C ATOM 606 CG PRO A 42 18.770 6.167 -2.623 1.00 3.74 C ATOM 607 CD PRO A 42 17.464 5.472 -3.021 1.00 3.24 C ATOM 0 HA PRO A 42 18.974 3.180 -1.151 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.201 5.647 -1.113 1.00 3.11 H new ATOM 0 HB3 PRO A 42 20.282 4.648 -2.551 1.00 3.11 H new ATOM 0 HG2 PRO A 42 18.568 7.037 -1.999 1.00 3.74 H new ATOM 0 HG3 PRO A 42 19.300 6.524 -3.506 1.00 3.74 H new ATOM 0 HD2 PRO A 42 16.600 6.107 -2.826 1.00 3.24 H new ATOM 0 HD3 PRO A 42 17.450 5.231 -4.084 1.00 3.24 H new ATOM 615 N GLY A 43 18.402 5.894 0.460 1.00 1.69 N ATOM 616 CA GLY A 43 18.059 6.389 1.823 1.00 1.65 C ATOM 617 C GLY A 43 17.942 7.914 1.798 1.00 1.62 C ATOM 618 O GLY A 43 17.417 8.491 0.867 1.00 2.03 O ATOM 0 H GLY A 43 18.775 6.598 -0.177 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.120 5.947 2.156 1.00 1.65 H new ATOM 0 HA3 GLY A 43 18.825 6.084 2.536 1.00 1.65 H new ATOM 622 N GLY A 44 18.428 8.571 2.815 1.00 1.61 N ATOM 623 CA GLY A 44 18.345 10.060 2.849 1.00 2.13 C ATOM 624 C GLY A 44 17.030 10.514 2.213 1.00 2.06 C ATOM 625 O GLY A 44 16.991 11.456 1.448 1.00 2.41 O ATOM 0 H GLY A 44 18.879 8.142 3.623 1.00 1.61 H new ATOM 0 HA2 GLY A 44 18.405 10.414 3.878 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.189 10.494 2.313 1.00 2.13 H new ATOM 629 N GLN A 45 15.950 9.850 2.524 1.00 1.86 N ATOM 630 CA GLN A 45 14.639 10.242 1.938 1.00 1.96 C ATOM 631 C GLN A 45 13.853 11.072 2.955 1.00 1.90 C ATOM 632 O GLN A 45 13.699 10.688 4.098 1.00 1.92 O ATOM 633 CB GLN A 45 13.845 8.982 1.585 1.00 2.10 C ATOM 634 CG GLN A 45 14.164 8.563 0.149 1.00 2.29 C ATOM 635 CD GLN A 45 13.282 9.351 -0.822 1.00 2.34 C ATOM 636 OE1 GLN A 45 12.133 9.623 -0.532 1.00 2.96 O ATOM 637 NE2 GLN A 45 13.774 9.733 -1.968 1.00 2.07 N ATOM 0 H GLN A 45 15.920 9.053 3.159 1.00 1.86 H new ATOM 0 HA GLN A 45 14.804 10.834 1.038 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.096 8.176 2.274 1.00 2.10 H new ATOM 0 HB3 GLN A 45 12.777 9.171 1.691 1.00 2.10 H new ATOM 0 HG2 GLN A 45 15.216 8.746 -0.069 1.00 2.29 H new ATOM 0 HG3 GLN A 45 13.994 7.494 0.025 1.00 2.29 H new ATOM 0 HE21 GLN A 45 14.738 9.505 -2.211 1.00 2.07 H new ATOM 0 HE22 GLN A 45 13.195 10.260 -2.621 1.00 2.07 H new ATOM 646 N GLY A 46 13.353 12.208 2.549 1.00 2.04 N ATOM 647 CA GLY A 46 12.578 13.060 3.494 1.00 2.08 C ATOM 648 C GLY A 46 11.768 12.172 4.440 1.00 2.01 C ATOM 649 O GLY A 46 11.720 12.400 5.632 1.00 2.08 O ATOM 0 H GLY A 46 13.448 12.582 1.605 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.255 13.695 4.066 1.00 2.08 H new ATOM 0 HA3 GLY A 46 11.912 13.721 2.940 1.00 2.08 H new ATOM 653 N ASN A 47 11.131 11.160 3.918 1.00 2.09 N ATOM 654 CA ASN A 47 10.327 10.257 4.787 1.00 2.14 C ATOM 655 C ASN A 47 9.689 9.160 3.932 1.00 1.80 C ATOM 656 O ASN A 47 9.516 9.315 2.739 1.00 1.63 O ATOM 657 CB ASN A 47 9.229 11.065 5.483 1.00 2.60 C ATOM 658 CG ASN A 47 8.817 12.239 4.593 1.00 2.84 C ATOM 659 OD1 ASN A 47 9.511 13.234 4.520 1.00 2.65 O ATOM 660 ND2 ASN A 47 7.709 12.165 3.908 1.00 3.61 N ATOM 0 H ASN A 47 11.133 10.920 2.927 1.00 2.09 H new ATOM 0 HA ASN A 47 10.975 9.802 5.536 1.00 2.14 H new ATOM 0 HB2 ASN A 47 8.368 10.429 5.686 1.00 2.60 H new ATOM 0 HB3 ASN A 47 9.587 11.432 6.445 1.00 2.60 H new ATOM 0 HD21 ASN A 47 7.425 12.942 3.311 1.00 3.61 H new ATOM 0 HD22 ASN A 47 7.126 11.330 3.969 1.00 3.61 H new ATOM 667 N PRO A 48 9.342 8.058 4.541 1.00 1.85 N ATOM 668 CA PRO A 48 8.710 6.911 3.834 1.00 1.74 C ATOM 669 C PRO A 48 7.644 7.360 2.832 1.00 1.36 C ATOM 670 O PRO A 48 7.473 6.767 1.785 1.00 1.19 O ATOM 671 CB PRO A 48 8.076 6.102 4.965 1.00 2.19 C ATOM 672 CG PRO A 48 8.896 6.399 6.177 1.00 2.36 C ATOM 673 CD PRO A 48 9.513 7.787 5.978 1.00 2.21 C ATOM 0 HA PRO A 48 9.433 6.348 3.244 1.00 1.74 H new ATOM 0 HB2 PRO A 48 7.035 6.388 5.116 1.00 2.19 H new ATOM 0 HB3 PRO A 48 8.084 5.036 4.737 1.00 2.19 H new ATOM 0 HG2 PRO A 48 8.278 6.378 7.074 1.00 2.36 H new ATOM 0 HG3 PRO A 48 9.674 5.647 6.309 1.00 2.36 H new ATOM 0 HD2 PRO A 48 9.009 8.537 6.587 1.00 2.21 H new ATOM 0 HD3 PRO A 48 10.565 7.799 6.263 1.00 2.21 H new ATOM 681 N TRP A 49 6.926 8.404 3.144 1.00 1.49 N ATOM 682 CA TRP A 49 5.872 8.890 2.208 1.00 1.39 C ATOM 683 C TRP A 49 6.390 10.111 1.445 1.00 1.17 C ATOM 684 O TRP A 49 5.837 11.190 1.534 1.00 1.45 O ATOM 685 CB TRP A 49 4.623 9.276 3.003 1.00 1.79 C ATOM 686 CG TRP A 49 4.941 10.426 3.903 1.00 1.85 C ATOM 687 CD1 TRP A 49 4.666 11.723 3.633 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.587 10.409 5.210 1.00 2.46 C ATOM 689 NE1 TRP A 49 5.102 12.503 4.690 1.00 1.97 N ATOM 690 CE2 TRP A 49 5.676 11.739 5.686 1.00 2.36 C ATOM 691 CE3 TRP A 49 6.099 9.379 6.019 1.00 3.27 C ATOM 692 CZ2 TRP A 49 6.253 12.035 6.923 1.00 2.90 C ATOM 693 CZ3 TRP A 49 6.679 9.674 7.262 1.00 3.87 C ATOM 694 CH2 TRP A 49 6.756 10.998 7.714 1.00 3.62 C ATOM 0 H TRP A 49 7.023 8.941 4.006 1.00 1.49 H new ATOM 0 HA TRP A 49 5.622 8.100 1.500 1.00 1.39 H new ATOM 0 HB2 TRP A 49 3.815 9.545 2.323 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.276 8.426 3.590 1.00 1.79 H new ATOM 0 HD1 TRP A 49 4.185 12.090 2.738 1.00 1.69 H new ATOM 0 HE1 TRP A 49 5.010 13.518 4.728 1.00 1.97 H new ATOM 0 HE3 TRP A 49 6.045 8.355 5.681 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 6.310 13.058 7.266 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 7.069 8.875 7.875 1.00 3.87 H new ATOM 0 HH2 TRP A 49 7.203 11.217 8.672 1.00 3.62 H new ATOM 705 N ASP A 50 7.447 9.951 0.697 1.00 1.07 N ATOM 706 CA ASP A 50 7.998 11.105 -0.069 1.00 1.36 C ATOM 707 C ASP A 50 8.363 10.651 -1.483 1.00 1.21 C ATOM 708 O ASP A 50 8.847 11.422 -2.288 1.00 1.27 O ATOM 709 CB ASP A 50 9.248 11.635 0.635 1.00 1.73 C ATOM 710 CG ASP A 50 8.847 12.698 1.659 1.00 2.02 C ATOM 711 OD1 ASP A 50 7.662 12.960 1.777 1.00 2.14 O ATOM 712 OD2 ASP A 50 9.733 13.233 2.306 1.00 2.38 O ATOM 0 H ASP A 50 7.953 9.072 0.583 1.00 1.07 H new ATOM 0 HA ASP A 50 7.249 11.895 -0.123 1.00 1.36 H new ATOM 0 HB2 ASP A 50 9.773 10.818 1.130 1.00 1.73 H new ATOM 0 HB3 ASP A 50 9.937 12.060 -0.095 1.00 1.73 H new ATOM 717 N ALA A 51 8.134 9.404 -1.795 1.00 1.09 N ATOM 718 CA ALA A 51 8.469 8.905 -3.159 1.00 1.02 C ATOM 719 C ALA A 51 7.731 7.589 -3.416 1.00 0.89 C ATOM 720 O ALA A 51 6.880 7.183 -2.651 1.00 0.87 O ATOM 721 CB ALA A 51 9.977 8.673 -3.261 1.00 1.11 C ATOM 0 H ALA A 51 7.730 8.711 -1.165 1.00 1.09 H new ATOM 0 HA ALA A 51 8.164 9.643 -3.901 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.222 8.308 -4.258 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.503 9.610 -3.078 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.283 7.935 -2.519 1.00 1.11 H new ATOM 727 N GLY A 52 8.051 6.920 -4.490 1.00 0.86 N ATOM 728 CA GLY A 52 7.367 5.632 -4.797 1.00 0.86 C ATOM 729 C GLY A 52 6.380 5.839 -5.947 1.00 0.87 C ATOM 730 O GLY A 52 6.525 6.748 -6.743 1.00 0.94 O ATOM 0 H GLY A 52 8.756 7.210 -5.168 1.00 0.86 H new ATOM 0 HA2 GLY A 52 8.102 4.873 -5.067 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.842 5.268 -3.914 1.00 0.86 H new ATOM 734 N LEU A 53 5.378 5.010 -6.044 1.00 0.83 N ATOM 735 CA LEU A 53 4.389 5.168 -7.143 1.00 0.84 C ATOM 736 C LEU A 53 2.976 5.221 -6.560 1.00 0.79 C ATOM 737 O LEU A 53 2.732 4.766 -5.460 1.00 0.78 O ATOM 738 CB LEU A 53 4.522 4.004 -8.130 1.00 0.85 C ATOM 739 CG LEU A 53 4.163 2.680 -7.453 1.00 0.90 C ATOM 740 CD1 LEU A 53 3.658 1.687 -8.502 1.00 0.90 C ATOM 741 CD2 LEU A 53 5.411 2.104 -6.777 1.00 0.96 C ATOM 0 H LEU A 53 5.203 4.231 -5.410 1.00 0.83 H new ATOM 0 HA LEU A 53 4.581 6.099 -7.676 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.868 4.170 -8.986 1.00 0.85 H new ATOM 0 HB3 LEU A 53 5.542 3.959 -8.512 1.00 0.85 H new ATOM 0 HG LEU A 53 3.385 2.853 -6.710 1.00 0.90 H new ATOM 0 HD11 LEU A 53 3.403 0.744 -8.018 1.00 0.90 H new ATOM 0 HD12 LEU A 53 2.774 2.094 -8.992 1.00 0.90 H new ATOM 0 HD13 LEU A 53 4.437 1.514 -9.244 1.00 0.90 H new ATOM 0 HD21 LEU A 53 5.160 1.160 -6.293 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.184 1.933 -7.526 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.778 2.808 -6.030 1.00 0.96 H new ATOM 753 N VAL A 54 2.044 5.787 -7.278 1.00 0.79 N ATOM 754 CA VAL A 54 0.653 5.882 -6.751 1.00 0.78 C ATOM 755 C VAL A 54 -0.350 5.568 -7.858 1.00 0.80 C ATOM 756 O VAL A 54 0.008 5.241 -8.973 1.00 0.90 O ATOM 757 CB VAL A 54 0.404 7.307 -6.239 1.00 0.89 C ATOM 758 CG1 VAL A 54 -0.048 8.197 -7.398 1.00 0.92 C ATOM 759 CG2 VAL A 54 -0.674 7.315 -5.150 1.00 0.92 C ATOM 0 H VAL A 54 2.186 6.187 -8.205 1.00 0.79 H new ATOM 0 HA VAL A 54 0.529 5.164 -5.940 1.00 0.78 H new ATOM 0 HB VAL A 54 1.334 7.687 -5.816 1.00 0.89 H new ATOM 0 HG11 VAL A 54 -0.224 9.209 -7.033 1.00 0.92 H new ATOM 0 HG12 VAL A 54 0.727 8.218 -8.164 1.00 0.92 H new ATOM 0 HG13 VAL A 54 -0.969 7.799 -7.824 1.00 0.92 H new ATOM 0 HG21 VAL A 54 -0.833 8.336 -4.803 1.00 0.92 H new ATOM 0 HG22 VAL A 54 -1.605 6.921 -5.557 1.00 0.92 H new ATOM 0 HG23 VAL A 54 -0.352 6.694 -4.314 1.00 0.92 H new ATOM 769 N TYR A 55 -1.608 5.681 -7.548 1.00 0.78 N ATOM 770 CA TYR A 55 -2.666 5.409 -8.563 1.00 0.82 C ATOM 771 C TYR A 55 -4.046 5.566 -7.920 1.00 0.81 C ATOM 772 O TYR A 55 -4.232 5.298 -6.750 1.00 1.06 O ATOM 773 CB TYR A 55 -2.520 3.984 -9.102 1.00 0.83 C ATOM 774 CG TYR A 55 -3.769 3.616 -9.869 1.00 0.97 C ATOM 775 CD1 TYR A 55 -4.112 4.327 -11.026 1.00 1.54 C ATOM 776 CD2 TYR A 55 -4.585 2.569 -9.424 1.00 1.59 C ATOM 777 CE1 TYR A 55 -5.273 3.993 -11.735 1.00 1.71 C ATOM 778 CE2 TYR A 55 -5.747 2.236 -10.133 1.00 1.70 C ATOM 779 CZ TYR A 55 -6.090 2.950 -11.287 1.00 1.37 C ATOM 780 OH TYR A 55 -7.235 2.622 -11.985 1.00 1.61 O ATOM 0 H TYR A 55 -1.954 5.952 -6.628 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.560 6.118 -9.384 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.646 3.915 -9.750 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.364 3.285 -8.280 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.481 5.133 -11.371 1.00 1.54 H new ATOM 0 HD2 TYR A 55 -4.319 2.018 -8.534 1.00 1.59 H new ATOM 0 HE1 TYR A 55 -5.537 4.541 -12.627 1.00 1.71 H new ATOM 0 HE2 TYR A 55 -6.377 1.429 -9.789 1.00 1.70 H new ATOM 0 HH TYR A 55 -7.284 3.159 -12.803 1.00 1.61 H new ATOM 790 N ASN A 56 -5.016 5.997 -8.680 1.00 0.93 N ATOM 791 CA ASN A 56 -6.383 6.171 -8.125 1.00 1.01 C ATOM 792 C ASN A 56 -7.322 5.138 -8.749 1.00 1.28 C ATOM 793 O ASN A 56 -7.378 4.985 -9.953 1.00 2.04 O ATOM 794 CB ASN A 56 -6.884 7.579 -8.448 1.00 1.81 C ATOM 795 CG ASN A 56 -6.496 8.534 -7.318 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.019 9.627 -7.224 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.594 8.165 -6.449 1.00 2.47 N ATOM 0 H ASN A 56 -4.917 6.237 -9.666 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.360 6.031 -7.044 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.455 7.921 -9.390 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.967 7.570 -8.575 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -5.328 8.794 -5.691 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -5.155 7.248 -6.528 1.00 2.47 H new ATOM 804 N GLY A 57 -8.058 4.426 -7.941 1.00 1.18 N ATOM 805 CA GLY A 57 -8.992 3.402 -8.491 1.00 1.77 C ATOM 806 C GLY A 57 -9.098 2.232 -7.510 1.00 1.64 C ATOM 807 O GLY A 57 -8.419 1.234 -7.644 1.00 2.48 O ATOM 0 H GLY A 57 -8.054 4.508 -6.924 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -9.975 3.842 -8.657 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.634 3.049 -9.458 1.00 1.77 H new ATOM 811 N VAL A 58 -9.944 2.349 -6.524 1.00 1.34 N ATOM 812 CA VAL A 58 -10.091 1.245 -5.534 1.00 1.99 C ATOM 813 C VAL A 58 -11.306 1.520 -4.645 1.00 1.78 C ATOM 814 O VAL A 58 -11.175 1.827 -3.476 1.00 1.95 O ATOM 815 CB VAL A 58 -8.827 1.167 -4.672 1.00 2.93 C ATOM 816 CG1 VAL A 58 -8.364 2.580 -4.314 1.00 3.79 C ATOM 817 CG2 VAL A 58 -9.128 0.389 -3.389 1.00 2.88 C ATOM 0 H VAL A 58 -10.540 3.161 -6.361 1.00 1.34 H new ATOM 0 HA VAL A 58 -10.232 0.298 -6.056 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.041 0.657 -5.229 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -7.465 2.524 -3.701 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -8.146 3.134 -5.227 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -9.151 3.091 -3.759 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -8.228 0.334 -2.777 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -9.915 0.897 -2.832 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -9.456 -0.619 -3.643 1.00 2.88 H new ATOM 827 N PRO A 59 -12.480 1.410 -5.201 1.00 1.85 N ATOM 828 CA PRO A 59 -13.752 1.646 -4.458 1.00 1.84 C ATOM 829 C PRO A 59 -13.793 0.878 -3.135 1.00 1.90 C ATOM 830 O PRO A 59 -13.076 -0.083 -2.942 1.00 2.05 O ATOM 831 CB PRO A 59 -14.834 1.131 -5.409 1.00 2.07 C ATOM 832 CG PRO A 59 -14.237 1.208 -6.774 1.00 2.39 C ATOM 833 CD PRO A 59 -12.725 1.046 -6.605 1.00 2.40 C ATOM 0 HA PRO A 59 -13.877 2.695 -4.189 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -15.118 0.108 -5.162 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.737 1.738 -5.341 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.640 0.426 -7.417 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.473 2.162 -7.246 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -12.408 0.024 -6.813 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -12.176 1.695 -7.287 1.00 2.40 H new ATOM 841 N VAL A 60 -14.626 1.294 -2.220 1.00 2.10 N ATOM 842 CA VAL A 60 -14.705 0.584 -0.913 1.00 2.46 C ATOM 843 C VAL A 60 -16.112 0.732 -0.329 1.00 2.53 C ATOM 844 O VAL A 60 -16.375 1.612 0.467 1.00 2.50 O ATOM 845 CB VAL A 60 -13.686 1.182 0.057 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.329 0.146 1.125 1.00 3.08 C ATOM 847 CG2 VAL A 60 -12.423 1.577 -0.711 1.00 2.93 C ATOM 0 H VAL A 60 -15.253 2.092 -2.321 1.00 2.10 H new ATOM 0 HA VAL A 60 -14.486 -0.473 -1.065 1.00 2.46 H new ATOM 0 HB VAL A 60 -14.113 2.064 0.534 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.602 0.572 1.817 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.228 -0.137 1.672 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.902 -0.736 0.648 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -11.696 2.004 -0.020 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.996 0.695 -1.188 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -12.676 2.315 -1.473 1.00 2.93 H new ATOM 857 N GLY A 61 -17.018 -0.125 -0.713 1.00 2.83 N ATOM 858 CA GLY A 61 -18.405 -0.036 -0.173 1.00 3.05 C ATOM 859 C GLY A 61 -18.494 -0.857 1.116 1.00 2.72 C ATOM 860 O GLY A 61 -18.391 -2.066 1.098 1.00 2.61 O ATOM 0 H GLY A 61 -16.858 -0.883 -1.377 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -18.666 1.004 0.025 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -19.119 -0.410 -0.907 1.00 3.05 H new ATOM 864 N GLU A 62 -18.674 -0.203 2.232 1.00 3.03 N ATOM 865 CA GLU A 62 -18.760 -0.933 3.530 1.00 2.96 C ATOM 866 C GLU A 62 -19.369 -2.321 3.312 1.00 2.29 C ATOM 867 O GLU A 62 -20.356 -2.474 2.622 1.00 2.02 O ATOM 868 CB GLU A 62 -19.645 -0.145 4.499 1.00 4.03 C ATOM 869 CG GLU A 62 -19.144 1.296 4.596 1.00 4.32 C ATOM 870 CD GLU A 62 -19.955 2.049 5.652 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.116 1.517 6.738 1.00 6.05 O ATOM 872 OE2 GLU A 62 -20.402 3.146 5.357 1.00 5.54 O ATOM 0 H GLU A 62 -18.766 0.811 2.301 1.00 3.03 H new ATOM 0 HA GLU A 62 -17.757 -1.040 3.944 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -20.679 -0.159 4.155 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -19.630 -0.613 5.483 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -18.086 1.307 4.858 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -19.238 1.791 3.629 1.00 4.32 H new ATOM 879 N GLY A 63 -18.793 -3.332 3.904 1.00 2.54 N ATOM 880 CA GLY A 63 -19.345 -4.707 3.738 1.00 2.46 C ATOM 881 C GLY A 63 -18.607 -5.434 2.612 1.00 2.21 C ATOM 882 O GLY A 63 -18.678 -6.641 2.492 1.00 2.29 O ATOM 0 H GLY A 63 -17.964 -3.265 4.495 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -19.243 -5.264 4.670 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -20.410 -4.656 3.512 1.00 2.46 H new ATOM 886 N GLU A 64 -17.903 -4.714 1.783 1.00 2.23 N ATOM 887 CA GLU A 64 -17.169 -5.371 0.666 1.00 2.27 C ATOM 888 C GLU A 64 -15.693 -5.529 1.038 1.00 2.19 C ATOM 889 O GLU A 64 -15.125 -4.708 1.732 1.00 2.81 O ATOM 890 CB GLU A 64 -17.287 -4.510 -0.592 1.00 2.70 C ATOM 891 CG GLU A 64 -18.524 -4.933 -1.387 1.00 3.18 C ATOM 892 CD GLU A 64 -18.549 -4.192 -2.726 1.00 3.59 C ATOM 893 OE1 GLU A 64 -19.061 -3.085 -2.759 1.00 4.03 O ATOM 894 OE2 GLU A 64 -18.054 -4.743 -3.695 1.00 3.92 O ATOM 0 H GLU A 64 -17.804 -3.700 1.831 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.600 -6.355 0.480 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.360 -3.457 -0.319 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.393 -4.619 -1.205 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.510 -6.010 -1.556 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.428 -4.711 -0.819 1.00 3.18 H new ATOM 901 N SER A 65 -15.065 -6.577 0.577 1.00 1.71 N ATOM 902 CA SER A 65 -13.625 -6.786 0.897 1.00 1.83 C ATOM 903 C SER A 65 -12.798 -6.623 -0.380 1.00 1.49 C ATOM 904 O SER A 65 -13.139 -7.151 -1.420 1.00 1.87 O ATOM 905 CB SER A 65 -13.426 -8.195 1.460 1.00 2.37 C ATOM 906 OG SER A 65 -13.741 -8.197 2.845 1.00 2.91 O ATOM 0 H SER A 65 -15.488 -7.298 -0.008 1.00 1.71 H new ATOM 0 HA SER A 65 -13.303 -6.054 1.638 1.00 1.83 H new ATOM 0 HB2 SER A 65 -14.062 -8.904 0.930 1.00 2.37 H new ATOM 0 HB3 SER A 65 -12.396 -8.517 1.309 1.00 2.37 H new ATOM 0 HG SER A 65 -13.616 -9.099 3.208 1.00 2.91 H new ATOM 912 N TYR A 66 -11.721 -5.890 -0.317 1.00 1.14 N ATOM 913 CA TYR A 66 -10.888 -5.690 -1.531 1.00 1.22 C ATOM 914 C TYR A 66 -9.562 -6.440 -1.383 1.00 1.63 C ATOM 915 O TYR A 66 -9.294 -7.054 -0.369 1.00 2.01 O ATOM 916 CB TYR A 66 -10.613 -4.198 -1.703 1.00 1.29 C ATOM 917 CG TYR A 66 -11.836 -3.524 -2.276 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.972 -3.344 -1.477 1.00 1.47 C ATOM 919 CD2 TYR A 66 -11.838 -3.083 -3.604 1.00 1.79 C ATOM 920 CE1 TYR A 66 -14.108 -2.722 -2.006 1.00 1.86 C ATOM 921 CE2 TYR A 66 -12.975 -2.461 -4.134 1.00 1.98 C ATOM 922 CZ TYR A 66 -14.110 -2.280 -3.335 1.00 1.87 C ATOM 923 OH TYR A 66 -15.230 -1.667 -3.857 1.00 2.38 O ATOM 0 H TYR A 66 -11.383 -5.422 0.524 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.417 -6.074 -2.403 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -10.355 -3.752 -0.743 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.759 -4.048 -2.364 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.971 -3.685 -0.452 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -10.962 -3.222 -4.220 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -14.984 -2.583 -1.389 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -12.976 -2.121 -5.159 1.00 1.98 H new ATOM 0 HH TYR A 66 -15.709 -1.198 -3.142 1.00 2.38 H new ATOM 933 N VAL A 67 -8.733 -6.392 -2.391 1.00 1.69 N ATOM 934 CA VAL A 67 -7.423 -7.102 -2.318 1.00 2.07 C ATOM 935 C VAL A 67 -6.401 -6.380 -3.201 1.00 2.20 C ATOM 936 O VAL A 67 -6.750 -5.558 -4.025 1.00 2.22 O ATOM 937 CB VAL A 67 -7.597 -8.538 -2.817 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.466 -9.417 -2.276 1.00 2.61 C ATOM 939 CG2 VAL A 67 -8.944 -9.085 -2.337 1.00 2.54 C ATOM 0 H VAL A 67 -8.906 -5.891 -3.263 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.071 -7.112 -1.286 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.567 -8.546 -3.907 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -6.595 -10.438 -2.635 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.507 -9.030 -2.621 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.489 -9.410 -1.186 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.069 -10.108 -2.692 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -8.974 -9.073 -1.247 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.749 -8.464 -2.729 1.00 2.54 H new ATOM 949 N LEU A 68 -5.142 -6.684 -3.037 1.00 2.36 N ATOM 950 CA LEU A 68 -4.099 -6.016 -3.870 1.00 2.59 C ATOM 951 C LEU A 68 -2.945 -6.991 -4.122 1.00 2.17 C ATOM 952 O LEU A 68 -2.206 -7.335 -3.222 1.00 2.07 O ATOM 953 CB LEU A 68 -3.571 -4.784 -3.132 1.00 3.01 C ATOM 954 CG LEU A 68 -2.925 -3.822 -4.132 1.00 3.40 C ATOM 955 CD1 LEU A 68 -3.950 -2.773 -4.567 1.00 3.46 C ATOM 956 CD2 LEU A 68 -1.734 -3.126 -3.468 1.00 3.61 C ATOM 0 H LEU A 68 -4.790 -7.365 -2.364 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.534 -5.713 -4.822 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.386 -4.285 -2.607 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.843 -5.084 -2.378 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.583 -4.379 -5.005 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.490 -2.088 -5.279 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -4.800 -3.268 -5.037 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.292 -2.215 -3.695 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.272 -2.440 -4.178 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.078 -2.569 -2.596 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.004 -3.873 -3.157 1.00 3.61 H new ATOM 968 N SER A 69 -2.782 -7.434 -5.339 1.00 1.98 N ATOM 969 CA SER A 69 -1.672 -8.382 -5.645 1.00 1.66 C ATOM 970 C SER A 69 -0.618 -7.665 -6.489 1.00 1.53 C ATOM 971 O SER A 69 -0.712 -7.607 -7.699 1.00 1.60 O ATOM 972 CB SER A 69 -2.223 -9.583 -6.414 1.00 1.82 C ATOM 973 OG SER A 69 -3.206 -9.137 -7.338 1.00 2.27 O ATOM 0 H SER A 69 -3.369 -7.181 -6.134 1.00 1.98 H new ATOM 0 HA SER A 69 -1.219 -8.730 -4.717 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.417 -10.093 -6.941 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.658 -10.304 -5.722 1.00 1.82 H new ATOM 0 HG SER A 69 -2.845 -8.396 -7.868 1.00 2.27 H new ATOM 979 N PHE A 70 0.381 -7.105 -5.860 1.00 1.38 N ATOM 980 CA PHE A 70 1.430 -6.384 -6.632 1.00 1.30 C ATOM 981 C PHE A 70 2.606 -7.311 -6.941 1.00 1.23 C ATOM 982 O PHE A 70 2.986 -8.140 -6.138 1.00 1.40 O ATOM 983 CB PHE A 70 1.924 -5.160 -5.855 1.00 1.34 C ATOM 984 CG PHE A 70 1.809 -5.394 -4.367 1.00 1.31 C ATOM 985 CD1 PHE A 70 0.552 -5.577 -3.778 1.00 1.96 C ATOM 986 CD2 PHE A 70 2.964 -5.412 -3.577 1.00 1.23 C ATOM 987 CE1 PHE A 70 0.451 -5.784 -2.397 1.00 2.01 C ATOM 988 CE2 PHE A 70 2.862 -5.616 -2.196 1.00 1.35 C ATOM 989 CZ PHE A 70 1.606 -5.803 -1.606 1.00 1.48 C ATOM 0 H PHE A 70 0.514 -7.116 -4.849 1.00 1.38 H new ATOM 0 HA PHE A 70 0.989 -6.052 -7.572 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.961 -4.950 -6.117 1.00 1.34 H new ATOM 0 HB3 PHE A 70 1.341 -4.283 -6.137 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.339 -5.558 -4.388 1.00 1.96 H new ATOM 0 HD2 PHE A 70 3.933 -5.269 -4.032 1.00 1.23 H new ATOM 0 HE1 PHE A 70 -0.518 -5.929 -1.942 1.00 2.01 H new ATOM 0 HE2 PHE A 70 3.753 -5.629 -1.585 1.00 1.35 H new ATOM 0 HZ PHE A 70 1.528 -5.962 -0.541 1.00 1.48 H new ATOM 999 N THR A 71 3.194 -7.159 -8.097 1.00 1.13 N ATOM 1000 CA THR A 71 4.361 -8.004 -8.473 1.00 1.16 C ATOM 1001 C THR A 71 5.636 -7.182 -8.278 1.00 1.11 C ATOM 1002 O THR A 71 5.900 -6.260 -9.025 1.00 1.39 O ATOM 1003 CB THR A 71 4.244 -8.398 -9.947 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.697 -7.311 -10.680 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.337 -9.620 -10.096 1.00 1.80 C ATOM 0 H THR A 71 2.912 -6.479 -8.803 1.00 1.13 H new ATOM 0 HA THR A 71 4.389 -8.902 -7.855 1.00 1.16 H new ATOM 0 HB THR A 71 5.234 -8.643 -10.331 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.777 -6.488 -10.154 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.261 -9.891 -11.149 1.00 1.80 H new ATOM 0 HG22 THR A 71 3.757 -10.455 -9.536 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.345 -9.386 -9.709 1.00 1.80 H new ATOM 1013 N ALA A 72 6.428 -7.486 -7.286 1.00 0.96 N ATOM 1014 CA ALA A 72 7.667 -6.685 -7.081 1.00 0.87 C ATOM 1015 C ALA A 72 8.727 -7.511 -6.351 1.00 0.81 C ATOM 1016 O ALA A 72 8.429 -8.291 -5.469 1.00 0.85 O ATOM 1017 CB ALA A 72 7.334 -5.443 -6.250 1.00 0.81 C ATOM 0 H ALA A 72 6.274 -8.242 -6.619 1.00 0.96 H new ATOM 0 HA ALA A 72 8.060 -6.391 -8.054 1.00 0.87 H new ATOM 0 HB1 ALA A 72 8.238 -4.854 -6.098 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.593 -4.841 -6.776 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.933 -5.749 -5.284 1.00 0.81 H new ATOM 1023 N SER A 73 9.969 -7.326 -6.710 1.00 0.75 N ATOM 1024 CA SER A 73 11.067 -8.076 -6.039 1.00 0.72 C ATOM 1025 C SER A 73 11.936 -7.083 -5.267 1.00 0.64 C ATOM 1026 O SER A 73 12.394 -6.096 -5.810 1.00 0.84 O ATOM 1027 CB SER A 73 11.917 -8.791 -7.091 1.00 0.82 C ATOM 1028 OG SER A 73 12.972 -7.933 -7.504 1.00 0.93 O ATOM 0 H SER A 73 10.271 -6.684 -7.443 1.00 0.75 H new ATOM 0 HA SER A 73 10.650 -8.816 -5.356 1.00 0.72 H new ATOM 0 HB2 SER A 73 12.324 -9.715 -6.680 1.00 0.82 H new ATOM 0 HB3 SER A 73 11.301 -9.067 -7.947 1.00 0.82 H new ATOM 0 HG SER A 73 12.749 -7.007 -7.275 1.00 0.93 H new ATOM 1034 N ALA A 74 12.160 -7.325 -4.006 1.00 0.66 N ATOM 1035 CA ALA A 74 12.990 -6.379 -3.210 1.00 0.59 C ATOM 1036 C ALA A 74 14.430 -6.887 -3.129 1.00 0.61 C ATOM 1037 O ALA A 74 14.680 -8.024 -2.785 1.00 0.67 O ATOM 1038 CB ALA A 74 12.413 -6.261 -1.797 1.00 0.59 C ATOM 0 H ALA A 74 11.806 -8.133 -3.494 1.00 0.66 H new ATOM 0 HA ALA A 74 12.982 -5.402 -3.694 1.00 0.59 H new ATOM 0 HB1 ALA A 74 13.020 -5.569 -1.213 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.390 -5.890 -1.852 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.418 -7.240 -1.319 1.00 0.59 H new ATOM 1044 N THR A 75 15.379 -6.047 -3.442 1.00 0.62 N ATOM 1045 CA THR A 75 16.803 -6.469 -3.385 1.00 0.72 C ATOM 1046 C THR A 75 17.617 -5.398 -2.642 1.00 0.72 C ATOM 1047 O THR A 75 17.727 -4.281 -3.108 1.00 0.74 O ATOM 1048 CB THR A 75 17.332 -6.599 -4.813 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.633 -5.694 -5.656 1.00 0.86 O ATOM 1050 CG2 THR A 75 17.122 -8.029 -5.313 1.00 0.97 C ATOM 0 H THR A 75 15.226 -5.082 -3.736 1.00 0.62 H new ATOM 0 HA THR A 75 16.891 -7.423 -2.864 1.00 0.72 H new ATOM 0 HB THR A 75 18.397 -6.367 -4.828 1.00 0.85 H new ATOM 0 HG1 THR A 75 17.269 -5.238 -6.245 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.500 -8.118 -6.331 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.657 -8.723 -4.665 1.00 0.97 H new ATOM 0 HG23 THR A 75 16.058 -8.267 -5.299 1.00 0.97 H new ATOM 1058 N PRO A 76 18.189 -5.714 -1.505 1.00 0.77 N ATOM 1059 CA PRO A 76 18.106 -7.063 -0.862 1.00 0.83 C ATOM 1060 C PRO A 76 16.684 -7.411 -0.412 1.00 0.73 C ATOM 1061 O PRO A 76 15.714 -7.085 -1.065 1.00 0.68 O ATOM 1062 CB PRO A 76 19.026 -6.957 0.363 1.00 0.97 C ATOM 1063 CG PRO A 76 19.839 -5.721 0.166 1.00 1.02 C ATOM 1064 CD PRO A 76 18.998 -4.789 -0.700 1.00 0.85 C ATOM 0 HA PRO A 76 18.395 -7.848 -1.561 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.444 -6.898 1.283 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.666 -7.835 0.446 1.00 0.97 H new ATOM 0 HG2 PRO A 76 20.076 -5.255 1.122 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.787 -5.953 -0.319 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.374 -4.131 -0.095 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.621 -4.150 -1.326 1.00 0.85 H new ATOM 1072 N ASP A 77 16.556 -8.065 0.707 1.00 0.81 N ATOM 1073 CA ASP A 77 15.200 -8.431 1.207 1.00 0.76 C ATOM 1074 C ASP A 77 14.833 -7.536 2.391 1.00 0.72 C ATOM 1075 O ASP A 77 15.687 -7.088 3.130 1.00 0.78 O ATOM 1076 CB ASP A 77 15.197 -9.894 1.655 1.00 0.91 C ATOM 1077 CG ASP A 77 16.215 -10.684 0.828 1.00 1.09 C ATOM 1078 OD1 ASP A 77 15.860 -11.115 -0.255 1.00 1.30 O ATOM 1079 OD2 ASP A 77 17.330 -10.843 1.295 1.00 1.75 O ATOM 0 H ASP A 77 17.332 -8.363 1.299 1.00 0.81 H new ATOM 0 HA ASP A 77 14.471 -8.294 0.408 1.00 0.76 H new ATOM 0 HB2 ASP A 77 15.443 -9.961 2.715 1.00 0.91 H new ATOM 0 HB3 ASP A 77 14.202 -10.321 1.531 1.00 0.91 H new ATOM 1084 N MET A 78 13.568 -7.275 2.579 1.00 0.75 N ATOM 1085 CA MET A 78 13.143 -6.408 3.715 1.00 0.87 C ATOM 1086 C MET A 78 11.670 -6.030 3.545 1.00 0.89 C ATOM 1087 O MET A 78 11.147 -6.015 2.448 1.00 0.93 O ATOM 1088 CB MET A 78 13.995 -5.135 3.737 1.00 1.01 C ATOM 1089 CG MET A 78 14.258 -4.667 2.304 1.00 1.19 C ATOM 1090 SD MET A 78 16.009 -4.897 1.905 1.00 1.83 S ATOM 1091 CE MET A 78 16.659 -3.590 2.974 1.00 2.16 C ATOM 0 H MET A 78 12.809 -7.625 1.994 1.00 0.75 H new ATOM 0 HA MET A 78 13.275 -6.950 4.652 1.00 0.87 H new ATOM 0 HB2 MET A 78 13.483 -4.353 4.297 1.00 1.01 H new ATOM 0 HB3 MET A 78 14.939 -5.326 4.247 1.00 1.01 H new ATOM 0 HG2 MET A 78 13.638 -5.231 1.607 1.00 1.19 H new ATOM 0 HG3 MET A 78 13.985 -3.617 2.197 1.00 1.19 H new ATOM 0 HE1 MET A 78 17.429 -3.032 2.440 1.00 2.16 H new ATOM 0 HE2 MET A 78 15.851 -2.915 3.255 1.00 2.16 H new ATOM 0 HE3 MET A 78 17.090 -4.034 3.871 1.00 2.16 H new ATOM 1101 N PRO A 79 11.008 -5.722 4.628 1.00 0.96 N ATOM 1102 CA PRO A 79 9.570 -5.330 4.612 1.00 1.04 C ATOM 1103 C PRO A 79 9.361 -3.924 4.040 1.00 1.13 C ATOM 1104 O PRO A 79 9.914 -2.958 4.527 1.00 1.28 O ATOM 1105 CB PRO A 79 9.161 -5.374 6.085 1.00 1.12 C ATOM 1106 CG PRO A 79 10.424 -5.174 6.856 1.00 1.38 C ATOM 1107 CD PRO A 79 11.562 -5.721 5.992 1.00 1.11 C ATOM 0 HA PRO A 79 8.978 -5.990 3.978 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.434 -4.595 6.314 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.696 -6.327 6.335 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.579 -4.118 7.076 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.380 -5.696 7.812 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.451 -5.094 6.061 1.00 1.11 H new ATOM 0 HD3 PRO A 79 11.854 -6.724 6.305 1.00 1.11 H new ATOM 1115 N VAL A 80 8.567 -3.803 3.011 1.00 1.13 N ATOM 1116 CA VAL A 80 8.327 -2.461 2.412 1.00 1.31 C ATOM 1117 C VAL A 80 7.066 -1.847 3.029 1.00 1.45 C ATOM 1118 O VAL A 80 6.387 -2.469 3.823 1.00 1.98 O ATOM 1119 CB VAL A 80 8.169 -2.603 0.891 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.647 -3.989 0.460 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.702 -2.428 0.485 1.00 1.79 C ATOM 0 H VAL A 80 8.075 -4.575 2.560 1.00 1.13 H new ATOM 0 HA VAL A 80 9.173 -1.805 2.617 1.00 1.31 H new ATOM 0 HB VAL A 80 8.765 -1.832 0.403 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.536 -4.093 -0.619 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.696 -4.113 0.731 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.051 -4.752 0.961 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.609 -2.532 -0.596 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.095 -3.189 0.976 1.00 1.79 H new ATOM 0 HG23 VAL A 80 6.357 -1.439 0.786 1.00 1.79 H new ATOM 1131 N ARG A 81 6.752 -0.631 2.674 1.00 1.48 N ATOM 1132 CA ARG A 81 5.541 0.023 3.244 1.00 1.84 C ATOM 1133 C ARG A 81 4.472 0.166 2.157 1.00 2.04 C ATOM 1134 O ARG A 81 4.772 0.380 0.999 1.00 2.57 O ATOM 1135 CB ARG A 81 5.917 1.408 3.776 1.00 2.24 C ATOM 1136 CG ARG A 81 4.685 2.075 4.392 1.00 2.95 C ATOM 1137 CD ARG A 81 4.438 1.500 5.788 1.00 4.04 C ATOM 1138 NE ARG A 81 3.004 1.107 5.928 1.00 4.81 N ATOM 1139 CZ ARG A 81 2.052 1.883 5.479 1.00 5.14 C ATOM 1140 NH1 ARG A 81 2.337 3.050 4.971 1.00 4.94 N ATOM 1141 NH2 ARG A 81 0.808 1.497 5.562 1.00 6.01 N ATOM 0 H ARG A 81 7.282 -0.062 2.014 1.00 1.48 H new ATOM 0 HA ARG A 81 5.148 -0.587 4.057 1.00 1.84 H new ATOM 0 HB2 ARG A 81 6.706 1.320 4.523 1.00 2.24 H new ATOM 0 HB3 ARG A 81 6.310 2.024 2.968 1.00 2.24 H new ATOM 0 HG2 ARG A 81 4.834 3.153 4.452 1.00 2.95 H new ATOM 0 HG3 ARG A 81 3.813 1.908 3.759 1.00 2.95 H new ATOM 0 HD2 ARG A 81 5.079 0.634 5.953 1.00 4.04 H new ATOM 0 HD3 ARG A 81 4.698 2.239 6.546 1.00 4.04 H new ATOM 0 HE ARG A 81 2.765 0.224 6.379 1.00 4.81 H new ATOM 0 HH11 ARG A 81 3.307 3.362 4.922 1.00 4.94 H new ATOM 0 HH12 ARG A 81 1.590 3.651 4.622 1.00 4.94 H new ATOM 0 HH21 ARG A 81 0.581 0.593 5.976 1.00 6.01 H new ATOM 0 HH22 ARG A 81 0.063 2.100 5.213 1.00 6.01 H new ATOM 1155 N VAL A 82 3.224 0.052 2.525 1.00 2.00 N ATOM 1156 CA VAL A 82 2.131 0.182 1.523 1.00 2.41 C ATOM 1157 C VAL A 82 0.906 0.809 2.189 1.00 1.99 C ATOM 1158 O VAL A 82 0.699 0.678 3.378 1.00 1.85 O ATOM 1159 CB VAL A 82 1.764 -1.202 0.985 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.721 -2.205 2.139 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.391 -1.138 0.312 1.00 3.57 C ATOM 0 H VAL A 82 2.915 -0.126 3.481 1.00 2.00 H new ATOM 0 HA VAL A 82 2.464 0.815 0.700 1.00 2.41 H new ATOM 0 HB VAL A 82 2.512 -1.519 0.258 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.459 -3.191 1.755 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.699 -2.250 2.618 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.974 -1.890 2.867 1.00 3.76 H new ATOM 0 HG21 VAL A 82 0.128 -2.124 -0.072 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.356 -0.821 1.039 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.422 -0.424 -0.511 1.00 3.57 H new ATOM 1171 N LEU A 83 0.089 1.493 1.434 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.121 2.126 2.034 1.00 1.82 C ATOM 1173 C LEU A 83 -2.192 2.321 0.958 1.00 1.64 C ATOM 1174 O LEU A 83 -1.892 2.524 -0.201 1.00 1.78 O ATOM 1175 CB LEU A 83 -0.741 3.484 2.628 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.251 4.409 1.513 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.373 5.372 1.117 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.954 5.209 2.009 1.00 1.42 C ATOM 0 H LEU A 83 0.206 1.641 0.432 1.00 2.02 H new ATOM 0 HA LEU A 83 -1.515 1.480 2.819 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -1.601 3.927 3.131 1.00 2.29 H new ATOM 0 HB3 LEU A 83 0.038 3.359 3.380 1.00 2.29 H new ATOM 0 HG LEU A 83 0.038 3.813 0.647 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -1.023 6.031 0.322 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.233 4.803 0.764 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -1.663 5.969 1.982 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.304 5.869 1.215 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.664 5.805 2.874 1.00 1.42 H new ATOM 0 HD23 LEU A 83 1.754 4.525 2.291 1.00 1.42 H new ATOM 1190 N VAL A 84 -3.441 2.265 1.336 1.00 1.54 N ATOM 1191 CA VAL A 84 -4.533 2.453 0.337 1.00 1.53 C ATOM 1192 C VAL A 84 -5.701 3.194 0.992 1.00 1.46 C ATOM 1193 O VAL A 84 -5.908 3.110 2.186 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.019 1.092 -0.164 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -5.519 1.225 -1.603 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -3.866 0.085 -0.121 1.00 1.84 C ATOM 0 H VAL A 84 -3.752 2.097 2.293 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.152 3.033 -0.503 1.00 1.53 H new ATOM 0 HB VAL A 84 -5.831 0.744 0.475 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -5.865 0.255 -1.959 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.342 1.939 -1.638 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -4.707 1.576 -2.239 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.215 -0.884 -0.478 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.053 0.435 -0.757 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -3.508 -0.014 0.904 1.00 1.84 H new ATOM 1206 N GLY A 85 -6.469 3.914 0.220 1.00 1.45 N ATOM 1207 CA GLY A 85 -7.623 4.655 0.803 1.00 1.49 C ATOM 1208 C GLY A 85 -8.180 5.639 -0.228 1.00 1.17 C ATOM 1209 O GLY A 85 -8.110 5.413 -1.420 1.00 1.15 O ATOM 0 H GLY A 85 -6.347 4.021 -0.787 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -8.400 3.954 1.108 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -7.308 5.191 1.698 1.00 1.49 H new ATOM 1213 N GLU A 86 -8.736 6.730 0.226 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.301 7.732 -0.721 1.00 1.19 C ATOM 1215 C GLU A 86 -8.222 8.750 -1.095 1.00 1.21 C ATOM 1216 O GLU A 86 -7.048 8.538 -0.866 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.474 8.456 -0.055 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.140 8.727 1.413 1.00 1.42 C ATOM 1219 CD GLU A 86 -8.649 9.043 1.550 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -8.222 10.042 0.995 1.00 2.54 O ATOM 1221 OE2 GLU A 86 -7.960 8.280 2.207 1.00 2.03 O ATOM 0 H GLU A 86 -8.823 6.970 1.213 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.648 7.224 -1.621 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -10.677 9.394 -0.572 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.377 7.850 -0.128 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -10.735 9.562 1.784 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -10.396 7.859 2.021 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.611 9.855 -1.670 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.608 10.887 -2.058 1.00 1.38 C ATOM 1230 C GLY A 87 -8.020 12.243 -1.481 1.00 1.20 C ATOM 1231 O GLY A 87 -7.343 13.235 -1.659 1.00 1.26 O ATOM 0 H GLY A 87 -9.580 10.088 -1.888 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -6.621 10.607 -1.688 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -7.536 10.949 -3.144 1.00 1.38 H new ATOM 1280 N ARG A 92 -8.038 10.145 5.949 1.00 2.28 N ATOM 1281 CA ARG A 92 -7.958 8.968 6.860 1.00 2.12 C ATOM 1282 C ARG A 92 -8.133 7.683 6.048 1.00 1.84 C ATOM 1283 O ARG A 92 -9.197 7.404 5.531 1.00 2.05 O ATOM 1284 CB ARG A 92 -9.064 9.062 7.913 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.345 9.587 7.263 1.00 2.72 C ATOM 1286 CD ARG A 92 -11.437 9.727 8.324 1.00 3.19 C ATOM 1287 NE ARG A 92 -11.817 8.376 8.827 1.00 4.00 N ATOM 1288 CZ ARG A 92 -12.503 8.259 9.931 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -12.856 9.324 10.595 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -12.836 7.077 10.369 1.00 5.74 N ATOM 0 HA ARG A 92 -6.987 8.956 7.355 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -9.243 8.082 8.356 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -8.756 9.725 8.721 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -10.157 10.551 6.791 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -10.672 8.906 6.477 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.082 10.347 9.147 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -12.308 10.228 7.901 1.00 3.19 H new ATOM 0 HE ARG A 92 -11.541 7.543 8.308 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -12.596 10.249 10.252 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -13.392 9.233 11.458 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -12.560 6.244 9.849 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -13.372 6.985 11.232 1.00 5.74 H new ATOM 1304 N THR A 93 -7.098 6.897 5.933 1.00 1.67 N ATOM 1305 CA THR A 93 -7.206 5.631 5.155 1.00 1.74 C ATOM 1306 C THR A 93 -7.390 4.451 6.107 1.00 1.95 C ATOM 1307 O THR A 93 -7.152 4.550 7.295 1.00 2.27 O ATOM 1308 CB THR A 93 -5.933 5.414 4.335 1.00 1.70 C ATOM 1309 OG1 THR A 93 -5.698 4.020 4.196 1.00 2.15 O ATOM 1310 CG2 THR A 93 -4.744 6.062 5.048 1.00 1.74 C ATOM 0 H THR A 93 -6.182 7.077 6.344 1.00 1.67 H new ATOM 0 HA THR A 93 -8.065 5.702 4.488 1.00 1.74 H new ATOM 0 HB THR A 93 -6.053 5.867 3.351 1.00 1.70 H new ATOM 0 HG1 THR A 93 -5.718 3.778 3.247 1.00 2.15 H new ATOM 0 HG21 THR A 93 -3.839 5.906 4.461 1.00 1.74 H new ATOM 0 HG22 THR A 93 -4.925 7.131 5.158 1.00 1.74 H new ATOM 0 HG23 THR A 93 -4.621 5.611 6.033 1.00 1.74 H new ATOM 1318 N ALA A 94 -7.801 3.328 5.588 1.00 2.15 N ATOM 1319 CA ALA A 94 -7.990 2.131 6.449 1.00 2.71 C ATOM 1320 C ALA A 94 -7.006 1.045 6.008 1.00 2.70 C ATOM 1321 O ALA A 94 -6.734 0.109 6.732 1.00 3.18 O ATOM 1322 CB ALA A 94 -9.422 1.614 6.302 1.00 3.28 C ATOM 0 H ALA A 94 -8.015 3.189 4.600 1.00 2.15 H new ATOM 0 HA ALA A 94 -7.810 2.393 7.492 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -9.559 0.736 6.934 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -10.123 2.392 6.605 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -9.607 1.345 5.262 1.00 3.28 H new ATOM 1328 N PHE A 95 -6.470 1.166 4.823 1.00 2.24 N ATOM 1329 CA PHE A 95 -5.504 0.144 4.337 1.00 2.32 C ATOM 1330 C PHE A 95 -4.087 0.565 4.729 1.00 1.89 C ATOM 1331 O PHE A 95 -3.141 0.350 3.998 1.00 2.04 O ATOM 1332 CB PHE A 95 -5.592 0.050 2.816 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.282 -1.358 2.367 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.365 -2.139 3.081 1.00 3.27 C ATOM 1335 CD2 PHE A 95 -5.915 -1.884 1.234 1.00 3.34 C ATOM 1336 CE1 PHE A 95 -4.081 -3.444 2.661 1.00 3.55 C ATOM 1337 CE2 PHE A 95 -5.632 -3.188 0.815 1.00 3.65 C ATOM 1338 CZ PHE A 95 -4.715 -3.969 1.528 1.00 3.60 C ATOM 0 H PHE A 95 -6.660 1.928 4.173 1.00 2.24 H new ATOM 0 HA PHE A 95 -5.740 -0.823 4.781 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -6.590 0.335 2.483 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -4.891 0.749 2.359 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -3.877 -1.735 3.956 1.00 3.27 H new ATOM 0 HD2 PHE A 95 -6.623 -1.282 0.683 1.00 3.34 H new ATOM 0 HE1 PHE A 95 -3.373 -4.046 3.211 1.00 3.55 H new ATOM 0 HE2 PHE A 95 -6.121 -3.592 -0.059 1.00 3.65 H new ATOM 0 HZ PHE A 95 -4.496 -4.976 1.205 1.00 3.60 H new ATOM 1348 N GLU A 96 -3.932 1.174 5.870 1.00 1.92 N ATOM 1349 CA GLU A 96 -2.575 1.617 6.295 1.00 2.11 C ATOM 1350 C GLU A 96 -1.784 0.417 6.819 1.00 1.99 C ATOM 1351 O GLU A 96 -1.792 0.122 7.998 1.00 2.04 O ATOM 1352 CB GLU A 96 -2.702 2.667 7.401 1.00 2.46 C ATOM 1353 CG GLU A 96 -1.310 3.166 7.794 1.00 3.05 C ATOM 1354 CD GLU A 96 -1.253 3.381 9.308 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -1.743 2.526 10.026 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -0.719 4.397 9.722 1.00 4.04 O ATOM 0 H GLU A 96 -4.684 1.384 6.526 1.00 1.92 H new ATOM 0 HA GLU A 96 -2.053 2.050 5.442 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -3.315 3.500 7.057 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.204 2.238 8.268 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -0.554 2.442 7.490 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -1.086 4.098 7.275 1.00 3.05 H new ATOM 1363 N GLN A 97 -1.097 -0.277 5.953 1.00 2.12 N ATOM 1364 CA GLN A 97 -0.302 -1.454 6.401 1.00 2.35 C ATOM 1365 C GLN A 97 1.165 -1.249 6.021 1.00 2.76 C ATOM 1366 O GLN A 97 1.476 -0.615 5.032 1.00 3.44 O ATOM 1367 CB GLN A 97 -0.835 -2.719 5.722 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.208 -2.854 4.333 1.00 2.67 C ATOM 1369 CD GLN A 97 -0.948 -3.935 3.542 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.236 -3.760 2.375 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -1.270 -5.053 4.133 1.00 3.46 N ATOM 0 H GLN A 97 -1.052 -0.079 4.953 1.00 2.12 H new ATOM 0 HA GLN A 97 -0.386 -1.561 7.482 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -0.600 -3.595 6.326 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -1.921 -2.671 5.640 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.260 -1.902 3.805 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.847 -3.112 4.422 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -1.028 -5.200 5.113 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -1.764 -5.780 3.615 1.00 3.46 H new ATOM 1380 N GLY A 98 2.072 -1.775 6.798 1.00 2.66 N ATOM 1381 CA GLY A 98 3.517 -1.602 6.475 1.00 3.12 C ATOM 1382 C GLY A 98 4.256 -2.926 6.677 1.00 2.94 C ATOM 1383 O GLY A 98 5.425 -2.950 7.008 1.00 3.67 O ATOM 0 H GLY A 98 1.876 -2.316 7.640 1.00 2.66 H new ATOM 0 HA2 GLY A 98 3.631 -1.265 5.445 1.00 3.12 H new ATOM 0 HA3 GLY A 98 3.952 -0.832 7.112 1.00 3.12 H new ATOM 1387 N SER A 99 3.586 -4.029 6.483 1.00 2.31 N ATOM 1388 CA SER A 99 4.251 -5.347 6.665 1.00 2.54 C ATOM 1389 C SER A 99 4.314 -6.080 5.325 1.00 2.05 C ATOM 1390 O SER A 99 3.682 -7.100 5.136 1.00 1.87 O ATOM 1391 CB SER A 99 3.447 -6.179 7.664 1.00 3.04 C ATOM 1392 OG SER A 99 3.933 -5.938 8.977 1.00 3.79 O ATOM 0 H SER A 99 2.605 -4.073 6.206 1.00 2.31 H new ATOM 0 HA SER A 99 5.263 -5.197 7.040 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.390 -5.920 7.602 1.00 3.04 H new ATOM 0 HB3 SER A 99 3.530 -7.239 7.422 1.00 3.04 H new ATOM 0 HG SER A 99 3.418 -6.469 9.619 1.00 3.79 H new ATOM 1398 N ALA A 100 5.071 -5.571 4.391 1.00 1.96 N ATOM 1399 CA ALA A 100 5.170 -6.244 3.064 1.00 1.63 C ATOM 1400 C ALA A 100 6.571 -6.839 2.894 1.00 1.41 C ATOM 1401 O ALA A 100 7.484 -6.169 2.452 1.00 1.39 O ATOM 1402 CB ALA A 100 4.911 -5.221 1.956 1.00 1.76 C ATOM 0 H ALA A 100 5.624 -4.720 4.489 1.00 1.96 H new ATOM 0 HA ALA A 100 4.429 -7.042 3.004 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.983 -5.711 0.985 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.913 -4.799 2.077 1.00 1.76 H new ATOM 0 HB3 ALA A 100 5.652 -4.424 2.016 1.00 1.76 H new ATOM 1408 N PRO A 101 6.739 -8.088 3.240 1.00 1.67 N ATOM 1409 CA PRO A 101 8.050 -8.785 3.127 1.00 1.70 C ATOM 1410 C PRO A 101 8.351 -9.223 1.691 1.00 1.06 C ATOM 1411 O PRO A 101 7.632 -10.010 1.108 1.00 1.45 O ATOM 1412 CB PRO A 101 7.894 -10.001 4.038 1.00 2.69 C ATOM 1413 CG PRO A 101 6.429 -10.287 4.081 1.00 2.97 C ATOM 1414 CD PRO A 101 5.697 -8.977 3.781 1.00 2.35 C ATOM 0 HA PRO A 101 8.880 -8.136 3.407 1.00 1.70 H new ATOM 0 HB2 PRO A 101 8.449 -10.855 3.650 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.282 -9.796 5.035 1.00 2.69 H new ATOM 0 HG2 PRO A 101 6.165 -11.050 3.349 1.00 2.97 H new ATOM 0 HG3 PRO A 101 6.142 -10.672 5.060 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.892 -9.128 3.062 1.00 2.35 H new ATOM 0 HD3 PRO A 101 5.247 -8.559 4.681 1.00 2.35 H new ATOM 1422 N LEU A 102 9.408 -8.718 1.116 1.00 0.99 N ATOM 1423 CA LEU A 102 9.752 -9.104 -0.282 1.00 1.10 C ATOM 1424 C LEU A 102 11.143 -9.743 -0.308 1.00 0.93 C ATOM 1425 O LEU A 102 11.963 -9.506 0.556 1.00 1.33 O ATOM 1426 CB LEU A 102 9.746 -7.856 -1.167 1.00 2.00 C ATOM 1427 CG LEU A 102 8.309 -7.527 -1.576 1.00 2.39 C ATOM 1428 CD1 LEU A 102 8.267 -6.145 -2.235 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.806 -8.581 -2.565 1.00 2.31 C ATOM 0 H LEU A 102 10.048 -8.055 1.553 1.00 0.99 H new ATOM 0 HA LEU A 102 9.019 -9.819 -0.655 1.00 1.10 H new ATOM 0 HB2 LEU A 102 10.184 -7.015 -0.630 1.00 2.00 H new ATOM 0 HB3 LEU A 102 10.358 -8.023 -2.053 1.00 2.00 H new ATOM 0 HG LEU A 102 7.672 -7.525 -0.692 1.00 2.39 H new ATOM 0 HD11 LEU A 102 7.243 -5.912 -2.526 1.00 3.06 H new ATOM 0 HD12 LEU A 102 8.624 -5.395 -1.530 1.00 3.06 H new ATOM 0 HD13 LEU A 102 8.905 -6.144 -3.119 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.782 -8.347 -2.857 1.00 2.31 H new ATOM 0 HD22 LEU A 102 8.444 -8.584 -3.449 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.834 -9.564 -2.095 1.00 2.31 H new ATOM 1441 N THR A 103 11.414 -10.554 -1.295 1.00 1.21 N ATOM 1442 CA THR A 103 12.749 -11.212 -1.376 1.00 1.09 C ATOM 1443 C THR A 103 13.538 -10.631 -2.553 1.00 1.38 C ATOM 1444 O THR A 103 13.174 -9.618 -3.117 1.00 1.81 O ATOM 1445 CB THR A 103 12.564 -12.717 -1.581 1.00 1.79 C ATOM 1446 OG1 THR A 103 13.801 -13.295 -1.974 1.00 2.04 O ATOM 1447 CG2 THR A 103 11.516 -12.961 -2.668 1.00 2.34 C ATOM 0 H THR A 103 10.768 -10.789 -2.049 1.00 1.21 H new ATOM 0 HA THR A 103 13.296 -11.034 -0.450 1.00 1.09 H new ATOM 0 HB THR A 103 12.229 -13.173 -0.649 1.00 1.79 H new ATOM 0 HG1 THR A 103 13.685 -14.259 -2.104 1.00 2.04 H new ATOM 0 HG21 THR A 103 11.385 -14.033 -2.813 1.00 2.34 H new ATOM 0 HG22 THR A 103 10.568 -12.517 -2.365 1.00 2.34 H new ATOM 0 HG23 THR A 103 11.847 -12.506 -3.602 1.00 2.34 H new ATOM 1455 N GLY A 104 14.617 -11.264 -2.924 1.00 1.62 N ATOM 1456 CA GLY A 104 15.434 -10.750 -4.061 1.00 2.17 C ATOM 1457 C GLY A 104 14.777 -11.138 -5.387 1.00 1.60 C ATOM 1458 O GLY A 104 14.961 -10.487 -6.395 1.00 1.83 O ATOM 0 H GLY A 104 14.969 -12.116 -2.488 1.00 1.62 H new ATOM 0 HA2 GLY A 104 15.527 -9.666 -3.994 1.00 2.17 H new ATOM 0 HA3 GLY A 104 16.443 -11.160 -4.011 1.00 2.17 H new ATOM 1462 N GLU A 105 14.013 -12.196 -5.396 1.00 1.22 N ATOM 1463 CA GLU A 105 13.348 -12.623 -6.659 1.00 1.09 C ATOM 1464 C GLU A 105 11.893 -12.149 -6.653 1.00 1.06 C ATOM 1465 O GLU A 105 11.355 -11.786 -5.626 1.00 1.08 O ATOM 1466 CB GLU A 105 13.387 -14.149 -6.764 1.00 1.40 C ATOM 1467 CG GLU A 105 14.425 -14.565 -7.808 1.00 1.95 C ATOM 1468 CD GLU A 105 15.831 -14.322 -7.255 1.00 2.43 C ATOM 1469 OE1 GLU A 105 15.954 -14.167 -6.051 1.00 2.75 O ATOM 1470 OE2 GLU A 105 16.760 -14.295 -8.045 1.00 3.02 O ATOM 0 H GLU A 105 13.821 -12.783 -4.584 1.00 1.22 H new ATOM 0 HA GLU A 105 13.869 -12.187 -7.511 1.00 1.09 H new ATOM 0 HB2 GLU A 105 13.635 -14.584 -5.796 1.00 1.40 H new ATOM 0 HB3 GLU A 105 12.404 -14.530 -7.042 1.00 1.40 H new ATOM 0 HG2 GLU A 105 14.299 -15.618 -8.062 1.00 1.95 H new ATOM 0 HG3 GLU A 105 14.281 -13.996 -8.727 1.00 1.95 H new ATOM 1477 N PRO A 106 11.264 -12.153 -7.797 1.00 1.08 N ATOM 1478 CA PRO A 106 9.848 -11.718 -7.937 1.00 1.12 C ATOM 1479 C PRO A 106 8.965 -12.263 -6.813 1.00 1.24 C ATOM 1480 O PRO A 106 8.823 -13.458 -6.647 1.00 1.42 O ATOM 1481 CB PRO A 106 9.427 -12.303 -9.285 1.00 1.26 C ATOM 1482 CG PRO A 106 10.686 -12.404 -10.082 1.00 1.20 C ATOM 1483 CD PRO A 106 11.837 -12.575 -9.085 1.00 1.13 C ATOM 0 HA PRO A 106 9.744 -10.634 -7.881 1.00 1.12 H new ATOM 0 HB2 PRO A 106 8.961 -13.280 -9.161 1.00 1.26 H new ATOM 0 HB3 PRO A 106 8.698 -11.662 -9.781 1.00 1.26 H new ATOM 0 HG2 PRO A 106 10.641 -13.250 -10.768 1.00 1.20 H new ATOM 0 HG3 PRO A 106 10.831 -11.510 -10.688 1.00 1.20 H new ATOM 0 HD2 PRO A 106 12.182 -13.608 -9.048 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.696 -11.962 -9.359 1.00 1.13 H new ATOM 1491 N ALA A 107 8.375 -11.397 -6.037 1.00 1.17 N ATOM 1492 CA ALA A 107 7.508 -11.869 -4.922 1.00 1.31 C ATOM 1493 C ALA A 107 6.214 -11.054 -4.893 1.00 1.24 C ATOM 1494 O ALA A 107 6.225 -9.853 -4.702 1.00 1.04 O ATOM 1495 CB ALA A 107 8.250 -11.700 -3.594 1.00 1.37 C ATOM 0 H ALA A 107 8.456 -10.384 -6.127 1.00 1.17 H new ATOM 0 HA ALA A 107 7.266 -12.921 -5.073 1.00 1.31 H new ATOM 0 HB1 ALA A 107 7.617 -12.045 -2.777 1.00 1.37 H new ATOM 0 HB2 ALA A 107 9.169 -12.286 -3.613 1.00 1.37 H new ATOM 0 HB3 ALA A 107 8.494 -10.648 -3.445 1.00 1.37 H new ATOM 1501 N THR A 108 5.096 -11.700 -5.082 1.00 1.45 N ATOM 1502 CA THR A 108 3.798 -10.971 -5.059 1.00 1.43 C ATOM 1503 C THR A 108 3.213 -10.980 -3.649 1.00 1.38 C ATOM 1504 O THR A 108 3.389 -11.918 -2.897 1.00 1.47 O ATOM 1505 CB THR A 108 2.809 -11.645 -6.010 1.00 1.60 C ATOM 1506 OG1 THR A 108 3.122 -13.027 -6.116 1.00 1.72 O ATOM 1507 CG2 THR A 108 2.903 -10.990 -7.384 1.00 1.66 C ATOM 0 H THR A 108 5.026 -12.703 -5.252 1.00 1.45 H new ATOM 0 HA THR A 108 3.972 -9.942 -5.373 1.00 1.43 H new ATOM 0 HB THR A 108 1.796 -11.534 -5.624 1.00 1.60 H new ATOM 0 HG1 THR A 108 2.487 -13.460 -6.724 1.00 1.72 H new ATOM 0 HG21 THR A 108 2.199 -11.469 -8.064 1.00 1.66 H new ATOM 0 HG22 THR A 108 2.662 -9.930 -7.299 1.00 1.66 H new ATOM 0 HG23 THR A 108 3.915 -11.102 -7.772 1.00 1.66 H new ATOM 1515 N ARG A 109 2.490 -9.954 -3.298 1.00 1.33 N ATOM 1516 CA ARG A 109 1.861 -9.920 -1.950 1.00 1.32 C ATOM 1517 C ARG A 109 0.374 -9.627 -2.125 1.00 1.37 C ATOM 1518 O ARG A 109 -0.014 -8.822 -2.947 1.00 1.49 O ATOM 1519 CB ARG A 109 2.495 -8.830 -1.089 1.00 1.27 C ATOM 1520 CG ARG A 109 3.744 -9.379 -0.398 1.00 1.97 C ATOM 1521 CD ARG A 109 3.332 -10.155 0.855 1.00 2.63 C ATOM 1522 NE ARG A 109 4.390 -11.151 1.215 1.00 3.48 N ATOM 1523 CZ ARG A 109 4.815 -12.040 0.357 1.00 3.74 C ATOM 1524 NH1 ARG A 109 4.234 -12.172 -0.803 1.00 3.39 N ATOM 1525 NH2 ARG A 109 5.804 -12.828 0.678 1.00 4.70 N ATOM 0 H ARG A 109 2.308 -9.140 -3.885 1.00 1.33 H new ATOM 0 HA ARG A 109 2.009 -10.879 -1.454 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.758 -7.972 -1.707 1.00 1.27 H new ATOM 0 HB3 ARG A 109 1.780 -8.480 -0.344 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.293 -10.030 -1.078 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.413 -8.562 -0.129 1.00 1.97 H new ATOM 0 HD2 ARG A 109 3.174 -9.465 1.684 1.00 2.63 H new ATOM 0 HD3 ARG A 109 2.385 -10.666 0.681 1.00 2.63 H new ATOM 0 HE ARG A 109 4.789 -11.135 2.154 1.00 3.48 H new ATOM 0 HH11 ARG A 109 3.441 -11.579 -1.047 1.00 3.39 H new ATOM 0 HH12 ARG A 109 4.573 -12.869 -1.467 1.00 3.39 H new ATOM 0 HH21 ARG A 109 6.242 -12.749 1.596 1.00 4.70 H new ATOM 0 HH22 ARG A 109 6.139 -13.523 0.011 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.456 -10.281 -1.365 1.00 1.37 N ATOM 1540 CA GLU A 110 -1.922 -10.054 -1.497 1.00 1.51 C ATOM 1541 C GLU A 110 -2.502 -9.595 -0.160 1.00 1.50 C ATOM 1542 O GLU A 110 -2.679 -10.377 0.753 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.598 -11.360 -1.920 1.00 1.79 C ATOM 1544 CG GLU A 110 -1.772 -12.032 -3.018 1.00 2.12 C ATOM 1545 CD GLU A 110 -2.456 -13.332 -3.450 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -3.032 -13.986 -2.596 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -2.391 -13.649 -4.625 1.00 2.69 O ATOM 0 H GLU A 110 -0.184 -10.963 -0.657 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.100 -9.284 -2.247 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -2.693 -12.027 -1.063 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.607 -11.159 -2.281 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -1.669 -11.362 -3.872 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -0.766 -12.242 -2.654 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.810 -8.334 -0.039 1.00 1.66 N ATOM 1555 CA TYR A 111 -3.392 -7.830 1.233 1.00 1.81 C ATOM 1556 C TYR A 111 -4.861 -7.474 0.998 1.00 2.14 C ATOM 1557 O TYR A 111 -5.197 -6.775 0.062 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.627 -6.589 1.699 1.00 1.87 C ATOM 1559 CG TYR A 111 -1.251 -6.989 2.177 1.00 1.94 C ATOM 1560 CD1 TYR A 111 -1.111 -7.911 3.223 1.00 1.82 C ATOM 1561 CD2 TYR A 111 -0.114 -6.437 1.576 1.00 2.76 C ATOM 1562 CE1 TYR A 111 0.165 -8.279 3.665 1.00 2.00 C ATOM 1563 CE2 TYR A 111 1.161 -6.806 2.017 1.00 2.96 C ATOM 1564 CZ TYR A 111 1.300 -7.728 3.061 1.00 2.36 C ATOM 1565 OH TYR A 111 2.559 -8.091 3.497 1.00 2.67 O ATOM 0 H TYR A 111 -2.683 -7.631 -0.767 1.00 1.66 H new ATOM 0 HA TYR A 111 -3.317 -8.599 2.002 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -2.545 -5.873 0.882 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -3.172 -6.094 2.503 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -1.988 -8.338 3.688 1.00 1.82 H new ATOM 0 HD2 TYR A 111 -0.221 -5.725 0.771 1.00 2.76 H new ATOM 0 HE1 TYR A 111 0.273 -8.988 4.472 1.00 2.00 H new ATOM 0 HE2 TYR A 111 2.038 -6.380 1.552 1.00 2.96 H new ATOM 0 HH TYR A 111 2.789 -7.576 4.299 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.738 -7.959 1.832 1.00 2.33 N ATOM 1576 CA ALA A 112 -7.184 -7.659 1.648 1.00 2.71 C ATOM 1577 C ALA A 112 -7.778 -7.149 2.962 1.00 2.50 C ATOM 1578 O ALA A 112 -7.265 -7.414 4.031 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.915 -8.932 1.221 1.00 3.41 C ATOM 0 H ALA A 112 -5.515 -8.550 2.633 1.00 2.33 H new ATOM 0 HA ALA A 112 -7.299 -6.894 0.880 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.975 -8.715 1.086 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -7.496 -9.295 0.282 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -7.796 -9.695 1.990 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.860 -6.424 2.889 1.00 2.28 N ATOM 1586 CA PHE A 113 -9.491 -5.905 4.136 1.00 2.20 C ATOM 1587 C PHE A 113 -11.007 -5.860 3.961 1.00 1.67 C ATOM 1588 O PHE A 113 -11.539 -6.241 2.936 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.977 -4.496 4.435 1.00 2.57 C ATOM 1590 CG PHE A 113 -9.233 -3.599 3.247 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.552 -3.817 2.043 1.00 2.65 C ATOM 1592 CD2 PHE A 113 -10.152 -2.548 3.352 1.00 2.38 C ATOM 1593 CE1 PHE A 113 -8.791 -2.984 0.944 1.00 2.77 C ATOM 1594 CE2 PHE A 113 -10.390 -1.715 2.252 1.00 2.44 C ATOM 1595 CZ PHE A 113 -9.710 -1.932 1.049 1.00 2.64 C ATOM 0 H PHE A 113 -9.334 -6.169 2.023 1.00 2.28 H new ATOM 0 HA PHE A 113 -9.235 -6.566 4.964 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -9.475 -4.097 5.319 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.910 -4.527 4.657 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.843 -4.627 1.963 1.00 2.65 H new ATOM 0 HD2 PHE A 113 -10.677 -2.380 4.281 1.00 2.38 H new ATOM 0 HE1 PHE A 113 -8.267 -3.152 0.015 1.00 2.77 H new ATOM 0 HE2 PHE A 113 -11.099 -0.904 2.332 1.00 2.44 H new ATOM 0 HZ PHE A 113 -9.893 -1.289 0.201 1.00 2.64 H new ATOM 1605 N THR A 114 -11.706 -5.398 4.959 1.00 1.53 N ATOM 1606 CA THR A 114 -13.189 -5.325 4.865 1.00 1.47 C ATOM 1607 C THR A 114 -13.625 -3.864 4.739 1.00 1.85 C ATOM 1608 O THR A 114 -13.120 -2.993 5.420 1.00 2.23 O ATOM 1609 CB THR A 114 -13.803 -5.933 6.127 1.00 1.92 C ATOM 1610 OG1 THR A 114 -12.916 -5.744 7.220 1.00 2.12 O ATOM 1611 CG2 THR A 114 -14.042 -7.428 5.914 1.00 2.22 C ATOM 0 H THR A 114 -11.312 -5.066 5.839 1.00 1.53 H new ATOM 0 HA THR A 114 -13.527 -5.878 3.988 1.00 1.47 H new ATOM 0 HB THR A 114 -14.754 -5.444 6.340 1.00 1.92 H new ATOM 0 HG1 THR A 114 -13.308 -6.131 8.030 1.00 2.12 H new ATOM 0 HG21 THR A 114 -14.479 -7.858 6.815 1.00 2.22 H new ATOM 0 HG22 THR A 114 -14.723 -7.572 5.075 1.00 2.22 H new ATOM 0 HG23 THR A 114 -13.094 -7.921 5.700 1.00 2.22 H new ATOM 1619 N SER A 115 -14.560 -3.589 3.871 1.00 2.24 N ATOM 1620 CA SER A 115 -15.030 -2.186 3.701 1.00 2.93 C ATOM 1621 C SER A 115 -15.688 -1.705 4.995 1.00 3.67 C ATOM 1622 O SER A 115 -16.680 -2.248 5.441 1.00 4.11 O ATOM 1623 CB SER A 115 -16.034 -2.122 2.550 1.00 3.21 C ATOM 1624 OG SER A 115 -16.359 -0.763 2.292 1.00 4.06 O ATOM 0 H SER A 115 -15.018 -4.276 3.272 1.00 2.24 H new ATOM 0 HA SER A 115 -14.181 -1.542 3.473 1.00 2.93 H new ATOM 0 HB2 SER A 115 -15.613 -2.584 1.657 1.00 3.21 H new ATOM 0 HB3 SER A 115 -16.934 -2.682 2.804 1.00 3.21 H new ATOM 0 HG SER A 115 -15.903 -0.189 2.942 1.00 4.06 H new ATOM 1630 N ASN A 116 -15.143 -0.684 5.600 1.00 3.92 N ATOM 1631 CA ASN A 116 -15.733 -0.160 6.863 1.00 4.70 C ATOM 1632 C ASN A 116 -16.368 1.206 6.594 1.00 4.40 C ATOM 1633 O ASN A 116 -17.193 1.678 7.351 1.00 4.82 O ATOM 1634 CB ASN A 116 -14.635 -0.014 7.918 1.00 5.27 C ATOM 1635 CG ASN A 116 -13.395 -0.791 7.475 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -12.721 -0.404 6.540 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -13.061 -1.881 8.110 1.00 6.86 N ATOM 0 H ASN A 116 -14.313 -0.190 5.272 1.00 3.92 H new ATOM 0 HA ASN A 116 -16.493 -0.852 7.226 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -14.387 1.038 8.057 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -14.987 -0.388 8.879 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -12.236 -2.407 7.822 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -13.625 -2.207 8.895 1.00 6.86 H new ATOM 1644 N LEU A 117 -15.992 1.843 5.518 1.00 3.81 N ATOM 1645 CA LEU A 117 -16.576 3.175 5.197 1.00 3.59 C ATOM 1646 C LEU A 117 -17.008 3.205 3.729 1.00 3.13 C ATOM 1647 O LEU A 117 -17.155 2.180 3.094 1.00 3.28 O ATOM 1648 CB LEU A 117 -15.537 4.266 5.443 1.00 3.83 C ATOM 1649 CG LEU A 117 -16.165 5.373 6.290 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.065 6.289 6.809 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -17.142 6.184 5.435 1.00 4.76 C ATOM 0 H LEU A 117 -15.305 1.498 4.848 1.00 3.81 H new ATOM 0 HA LEU A 117 -17.442 3.350 5.835 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -14.668 3.850 5.953 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -15.186 4.672 4.494 1.00 3.83 H new ATOM 0 HG LEU A 117 -16.703 4.930 7.128 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -15.506 7.081 7.414 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -14.369 5.712 7.418 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -14.532 6.730 5.967 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -17.588 6.972 6.041 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -16.608 6.630 4.596 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -17.927 5.528 5.058 1.00 4.76 H new ATOM 1663 N THR A 118 -17.213 4.373 3.186 1.00 3.12 N ATOM 1664 CA THR A 118 -17.636 4.470 1.763 1.00 3.08 C ATOM 1665 C THR A 118 -16.582 5.246 0.968 1.00 3.13 C ATOM 1666 O THR A 118 -16.114 6.286 1.390 1.00 3.70 O ATOM 1667 CB THR A 118 -18.974 5.207 1.688 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.067 6.122 2.771 1.00 4.06 O ATOM 1669 CG2 THR A 118 -20.121 4.199 1.770 1.00 4.04 C ATOM 0 H THR A 118 -17.105 5.265 3.668 1.00 3.12 H new ATOM 0 HA THR A 118 -17.742 3.470 1.342 1.00 3.08 H new ATOM 0 HB THR A 118 -19.039 5.749 0.745 1.00 3.62 H new ATOM 0 HG1 THR A 118 -19.923 6.597 2.725 1.00 4.06 H new ATOM 0 HG21 THR A 118 -21.073 4.726 1.716 1.00 4.04 H new ATOM 0 HG22 THR A 118 -20.048 3.496 0.940 1.00 4.04 H new ATOM 0 HG23 THR A 118 -20.060 3.655 2.712 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.205 4.750 -0.177 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.183 5.461 -0.997 1.00 3.07 C ATOM 1679 C PHE A 119 -15.376 5.109 -2.472 1.00 2.72 C ATOM 1680 O PHE A 119 -14.577 4.408 -3.061 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.784 5.036 -0.548 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.495 5.613 0.817 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -13.462 7.001 0.997 1.00 4.69 C ATOM 1684 CD2 PHE A 119 -13.260 4.760 1.902 1.00 4.47 C ATOM 1685 CE1 PHE A 119 -13.194 7.536 2.263 1.00 5.33 C ATOM 1686 CE2 PHE A 119 -12.992 5.296 3.168 1.00 5.10 C ATOM 1687 CZ PHE A 119 -12.960 6.684 3.348 1.00 5.44 C ATOM 0 H PHE A 119 -16.560 3.883 -0.581 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.295 6.537 -0.864 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.715 3.949 -0.517 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.040 5.382 -1.265 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -13.643 7.659 0.160 1.00 4.69 H new ATOM 0 HD2 PHE A 119 -13.285 3.689 1.763 1.00 4.47 H new ATOM 0 HE1 PHE A 119 -13.168 8.607 2.402 1.00 5.33 H new ATOM 0 HE2 PHE A 119 -12.810 4.639 4.005 1.00 5.10 H new ATOM 0 HZ PHE A 119 -12.755 7.097 4.324 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.433 5.597 -3.061 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.750 5.340 -4.496 1.00 2.86 C ATOM 1699 C PRO A 120 -15.609 5.774 -5.423 1.00 3.02 C ATOM 1700 O PRO A 120 -14.677 6.432 -5.002 1.00 3.70 O ATOM 1701 CB PRO A 120 -18.001 6.183 -4.762 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.595 6.468 -3.421 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.443 6.449 -2.419 1.00 3.80 C ATOM 0 HA PRO A 120 -16.898 4.278 -4.690 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.746 7.107 -5.281 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.707 5.646 -5.396 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -19.096 7.436 -3.417 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.345 5.720 -3.163 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.059 7.452 -2.232 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.756 6.043 -1.457 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.685 5.406 -6.673 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.647 5.758 -7.681 1.00 3.45 C ATOM 1713 C PRO A 121 -14.829 7.180 -8.222 1.00 3.18 C ATOM 1714 O PRO A 121 -13.877 7.848 -8.571 1.00 3.79 O ATOM 1715 CB PRO A 121 -14.870 4.731 -8.789 1.00 3.90 C ATOM 1716 CG PRO A 121 -16.319 4.373 -8.714 1.00 3.47 C ATOM 1717 CD PRO A 121 -16.771 4.612 -7.269 1.00 2.74 C ATOM 0 HA PRO A 121 -13.641 5.738 -7.261 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -14.618 5.145 -9.765 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -14.241 3.853 -8.643 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -16.902 4.982 -9.405 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -16.473 3.332 -8.998 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -17.720 5.147 -7.233 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -16.914 3.672 -6.737 1.00 2.74 H new ATOM 1725 N ASP A 122 -16.046 7.644 -8.293 1.00 2.63 N ATOM 1726 CA ASP A 122 -16.289 9.019 -8.809 1.00 2.65 C ATOM 1727 C ASP A 122 -16.959 9.863 -7.723 1.00 2.94 C ATOM 1728 O ASP A 122 -17.059 11.069 -7.833 1.00 3.74 O ATOM 1729 CB ASP A 122 -17.202 8.949 -10.036 1.00 2.79 C ATOM 1730 CG ASP A 122 -16.998 10.199 -10.895 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -16.148 11.002 -10.548 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -17.697 10.332 -11.887 1.00 4.14 O ATOM 0 H ASP A 122 -16.882 7.130 -8.016 1.00 2.63 H new ATOM 0 HA ASP A 122 -15.339 9.475 -9.087 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -16.979 8.055 -10.618 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -18.244 8.875 -9.724 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.418 9.238 -6.673 1.00 2.81 N ATOM 1738 CA GLY A 123 -18.080 10.005 -5.580 1.00 3.57 C ATOM 1739 C GLY A 123 -17.123 11.075 -5.053 1.00 3.16 C ATOM 1740 O GLY A 123 -16.281 11.576 -5.771 1.00 3.47 O ATOM 0 H GLY A 123 -17.363 8.230 -6.525 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -18.994 10.470 -5.950 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.369 9.332 -4.773 1.00 3.57 H new ATOM 1744 N ASP A 124 -17.243 11.428 -3.802 1.00 2.78 N ATOM 1745 CA ASP A 124 -16.339 12.466 -3.231 1.00 2.58 C ATOM 1746 C ASP A 124 -14.944 12.316 -3.840 1.00 2.15 C ATOM 1747 O ASP A 124 -14.570 13.037 -4.744 1.00 2.31 O ATOM 1748 CB ASP A 124 -16.255 12.289 -1.713 1.00 3.01 C ATOM 1749 CG ASP A 124 -17.000 13.434 -1.024 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -17.985 13.893 -1.579 1.00 3.51 O ATOM 1751 OD2 ASP A 124 -16.574 13.832 0.047 1.00 3.59 O ATOM 0 H ASP A 124 -17.928 11.043 -3.151 1.00 2.78 H new ATOM 0 HA ASP A 124 -16.731 13.457 -3.460 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -16.689 11.332 -1.423 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -15.213 12.276 -1.395 1.00 3.01 H new ATOM 1756 N ALA A 125 -14.170 11.384 -3.353 1.00 1.83 N ATOM 1757 CA ALA A 125 -12.801 11.189 -3.905 1.00 1.67 C ATOM 1758 C ALA A 125 -12.708 9.810 -4.561 1.00 1.39 C ATOM 1759 O ALA A 125 -13.377 8.877 -4.163 1.00 1.38 O ATOM 1760 CB ALA A 125 -11.775 11.285 -2.774 1.00 2.08 C ATOM 0 H ALA A 125 -14.428 10.750 -2.597 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.596 11.960 -4.647 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -10.773 11.142 -3.179 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -11.841 12.267 -2.306 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -11.979 10.514 -2.031 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.880 9.687 -5.564 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.687 8.404 -6.298 1.00 1.14 C ATOM 1768 C PRO A 126 -10.923 7.370 -5.467 1.00 1.05 C ATOM 1769 O PRO A 126 -10.879 7.443 -4.255 1.00 1.36 O ATOM 1770 CB PRO A 126 -10.873 8.807 -7.530 1.00 1.27 C ATOM 1771 CG PRO A 126 -10.161 10.061 -7.145 1.00 1.31 C ATOM 1772 CD PRO A 126 -11.036 10.763 -6.106 1.00 1.39 C ATOM 0 HA PRO A 126 -12.638 7.931 -6.541 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -10.167 8.024 -7.807 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -11.520 8.972 -8.391 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -9.177 9.836 -6.734 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -10.005 10.700 -8.014 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.433 11.229 -5.326 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.637 11.552 -6.558 1.00 1.39 H new ATOM 1780 N GLY A 127 -10.320 6.408 -6.110 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.559 5.371 -5.358 1.00 1.03 C ATOM 1782 C GLY A 127 -8.164 5.901 -5.025 1.00 1.09 C ATOM 1783 O GLY A 127 -7.728 6.901 -5.557 1.00 1.19 O ATOM 0 H GLY A 127 -10.321 6.295 -7.124 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -10.088 5.110 -4.442 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.481 4.460 -5.952 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.460 5.240 -4.147 1.00 1.12 N ATOM 1788 CA GLN A 128 -6.094 5.712 -3.785 1.00 1.26 C ATOM 1789 C GLN A 128 -5.200 4.515 -3.459 1.00 1.11 C ATOM 1790 O GLN A 128 -5.629 3.548 -2.862 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.181 6.631 -2.565 1.00 1.53 C ATOM 1792 CG GLN A 128 -5.123 7.731 -2.676 1.00 1.64 C ATOM 1793 CD GLN A 128 -4.587 8.066 -1.284 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -4.309 9.211 -0.986 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -4.428 7.109 -0.411 1.00 1.99 N ATOM 0 H GLN A 128 -7.771 4.396 -3.666 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.668 6.259 -4.626 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.175 7.073 -2.500 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -6.028 6.056 -1.652 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -4.308 7.403 -3.322 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.555 8.621 -3.135 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -4.661 6.148 -0.660 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -4.071 7.322 0.520 1.00 1.99 H new ATOM 1804 N VAL A 129 -3.955 4.582 -3.842 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.013 3.463 -3.557 1.00 0.91 C ATOM 1806 C VAL A 129 -1.587 3.981 -3.732 1.00 0.88 C ATOM 1807 O VAL A 129 -1.162 4.296 -4.827 1.00 1.00 O ATOM 1808 CB VAL A 129 -3.272 2.307 -4.526 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -2.692 2.646 -5.900 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -2.602 1.039 -3.992 1.00 0.89 C ATOM 0 H VAL A 129 -3.547 5.370 -4.344 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.156 3.100 -2.539 1.00 0.91 H new ATOM 0 HB VAL A 129 -4.346 2.145 -4.617 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -2.878 1.821 -6.587 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -3.166 3.550 -6.282 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -1.618 2.809 -5.811 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -2.785 0.214 -4.680 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -1.529 1.205 -3.902 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -3.015 0.794 -3.013 1.00 0.89 H new ATOM 1820 N ALA A 130 -0.853 4.100 -2.660 1.00 0.78 N ATOM 1821 CA ALA A 130 0.535 4.631 -2.767 1.00 0.85 C ATOM 1822 C ALA A 130 1.553 3.594 -2.292 1.00 0.75 C ATOM 1823 O ALA A 130 1.421 3.007 -1.237 1.00 0.73 O ATOM 1824 CB ALA A 130 0.653 5.887 -1.903 1.00 0.98 C ATOM 0 H ALA A 130 -1.153 3.853 -1.717 1.00 0.78 H new ATOM 0 HA ALA A 130 0.743 4.866 -3.811 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.666 6.284 -1.974 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.056 6.637 -2.253 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.434 5.637 -0.865 1.00 0.98 H new ATOM 1830 N PHE A 131 2.584 3.386 -3.065 1.00 0.75 N ATOM 1831 CA PHE A 131 3.642 2.414 -2.676 1.00 0.70 C ATOM 1832 C PHE A 131 4.830 3.199 -2.118 1.00 0.77 C ATOM 1833 O PHE A 131 5.498 3.915 -2.839 1.00 0.99 O ATOM 1834 CB PHE A 131 4.097 1.636 -3.912 1.00 0.70 C ATOM 1835 CG PHE A 131 3.198 0.445 -4.147 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.878 0.450 -3.678 1.00 1.29 C ATOM 1837 CD2 PHE A 131 3.687 -0.666 -4.847 1.00 1.49 C ATOM 1838 CE1 PHE A 131 1.051 -0.656 -3.906 1.00 1.54 C ATOM 1839 CE2 PHE A 131 2.858 -1.771 -5.076 1.00 1.73 C ATOM 1840 CZ PHE A 131 1.541 -1.766 -4.605 1.00 1.48 C ATOM 0 H PHE A 131 2.739 3.853 -3.958 1.00 0.75 H new ATOM 0 HA PHE A 131 3.257 1.718 -1.931 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.083 2.288 -4.785 1.00 0.70 H new ATOM 0 HB3 PHE A 131 5.126 1.302 -3.780 1.00 0.70 H new ATOM 0 HD1 PHE A 131 1.499 1.307 -3.141 1.00 1.29 H new ATOM 0 HD2 PHE A 131 4.704 -0.670 -5.210 1.00 1.49 H new ATOM 0 HE1 PHE A 131 0.034 -0.653 -3.542 1.00 1.54 H new ATOM 0 HE2 PHE A 131 3.235 -2.627 -5.616 1.00 1.73 H new ATOM 0 HZ PHE A 131 0.902 -2.619 -4.781 1.00 1.48 H new ATOM 1850 N HIS A 132 5.094 3.080 -0.845 1.00 0.82 N ATOM 1851 CA HIS A 132 6.234 3.833 -0.248 1.00 0.96 C ATOM 1852 C HIS A 132 7.444 2.909 -0.115 1.00 1.03 C ATOM 1853 O HIS A 132 7.345 1.804 0.381 1.00 1.41 O ATOM 1854 CB HIS A 132 5.833 4.352 1.134 1.00 1.41 C ATOM 1855 CG HIS A 132 4.866 5.493 0.981 1.00 1.36 C ATOM 1856 ND1 HIS A 132 4.191 6.039 2.061 1.00 1.70 N ATOM 1857 CD2 HIS A 132 4.448 6.202 -0.119 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.411 7.030 1.594 1.00 1.96 C ATOM 1859 NE2 HIS A 132 3.530 7.172 0.272 1.00 2.32 N ATOM 0 H HIS A 132 4.571 2.495 -0.194 1.00 0.82 H new ATOM 0 HA HIS A 132 6.491 4.674 -0.892 1.00 0.96 H new ATOM 0 HB2 HIS A 132 5.378 3.551 1.717 1.00 1.41 H new ATOM 0 HB3 HIS A 132 6.717 4.681 1.681 1.00 1.41 H new ATOM 0 HD2 HIS A 132 4.781 6.032 -1.132 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.767 7.637 2.213 1.00 1.96 H new ATOM 0 HE2 HIS A 132 3.051 7.847 -0.324 1.00 2.32 H new ATOM 1867 N LEU A 133 8.588 3.352 -0.562 1.00 1.00 N ATOM 1868 CA LEU A 133 9.808 2.501 -0.470 1.00 1.39 C ATOM 1869 C LEU A 133 10.971 3.331 0.081 1.00 1.62 C ATOM 1870 O LEU A 133 11.724 2.882 0.921 1.00 2.04 O ATOM 1871 CB LEU A 133 10.171 1.986 -1.865 1.00 1.58 C ATOM 1872 CG LEU A 133 9.023 1.137 -2.416 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.827 1.450 -3.901 1.00 1.52 C ATOM 1874 CD2 LEU A 133 9.361 -0.346 -2.249 1.00 2.11 C ATOM 0 H LEU A 133 8.730 4.268 -0.988 1.00 1.00 H new ATOM 0 HA LEU A 133 9.615 1.659 0.195 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.369 2.825 -2.533 1.00 1.58 H new ATOM 0 HB3 LEU A 133 11.085 1.393 -1.818 1.00 1.58 H new ATOM 0 HG LEU A 133 8.107 1.365 -1.871 1.00 1.41 H new ATOM 0 HD11 LEU A 133 8.010 0.846 -4.295 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.589 2.507 -4.022 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.743 1.220 -4.445 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.544 -0.952 -2.641 1.00 2.11 H new ATOM 0 HD22 LEU A 133 10.276 -0.574 -2.795 1.00 2.11 H new ATOM 0 HD23 LEU A 133 9.504 -0.570 -1.192 1.00 2.11 H new ATOM 1886 N GLY A 134 11.125 4.538 -0.393 1.00 1.46 N ATOM 1887 CA GLY A 134 12.241 5.397 0.096 1.00 1.77 C ATOM 1888 C GLY A 134 12.430 5.196 1.601 1.00 1.08 C ATOM 1889 O GLY A 134 11.501 5.311 2.375 1.00 0.83 O ATOM 0 H GLY A 134 10.525 4.966 -1.098 1.00 1.46 H new ATOM 0 HA2 GLY A 134 13.162 5.148 -0.432 1.00 1.77 H new ATOM 0 HA3 GLY A 134 12.026 6.444 -0.116 1.00 1.77 H new ATOM 1893 N LYS A 135 13.631 4.901 2.021 1.00 1.23 N ATOM 1894 CA LYS A 135 13.885 4.696 3.474 1.00 1.09 C ATOM 1895 C LYS A 135 15.389 4.744 3.743 1.00 1.32 C ATOM 1896 O LYS A 135 16.174 4.146 3.034 1.00 1.76 O ATOM 1897 CB LYS A 135 13.335 3.334 3.909 1.00 1.93 C ATOM 1898 CG LYS A 135 11.813 3.409 4.037 1.00 2.37 C ATOM 1899 CD LYS A 135 11.331 2.355 5.037 1.00 3.36 C ATOM 1900 CE LYS A 135 11.919 0.992 4.664 1.00 4.04 C ATOM 1901 NZ LYS A 135 11.176 -0.081 5.384 1.00 5.06 N ATOM 0 H LYS A 135 14.447 4.793 1.419 1.00 1.23 H new ATOM 0 HA LYS A 135 13.388 5.484 4.039 1.00 1.09 H new ATOM 0 HB2 LYS A 135 13.611 2.571 3.182 1.00 1.93 H new ATOM 0 HB3 LYS A 135 13.776 3.041 4.862 1.00 1.93 H new ATOM 0 HG2 LYS A 135 11.514 4.403 4.368 1.00 2.37 H new ATOM 0 HG3 LYS A 135 11.347 3.243 3.065 1.00 2.37 H new ATOM 0 HD2 LYS A 135 11.635 2.630 6.047 1.00 3.36 H new ATOM 0 HD3 LYS A 135 10.242 2.306 5.034 1.00 3.36 H new ATOM 0 HE2 LYS A 135 11.851 0.837 3.587 1.00 4.04 H new ATOM 0 HE3 LYS A 135 12.977 0.956 4.926 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 11.745 -0.418 6.187 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 10.273 0.297 5.734 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 10.992 -0.872 4.734 1.00 5.06 H new ATOM 1915 N ALA A 136 15.799 5.445 4.765 1.00 1.56 N ATOM 1916 CA ALA A 136 17.253 5.514 5.073 1.00 1.90 C ATOM 1917 C ALA A 136 17.858 4.127 4.857 1.00 2.22 C ATOM 1918 O ALA A 136 19.050 3.973 4.681 1.00 2.64 O ATOM 1919 CB ALA A 136 17.452 5.941 6.530 1.00 2.27 C ATOM 0 H ALA A 136 15.193 5.970 5.396 1.00 1.56 H new ATOM 0 HA ALA A 136 17.740 6.241 4.423 1.00 1.90 H new ATOM 0 HB1 ALA A 136 18.518 5.991 6.752 1.00 2.27 H new ATOM 0 HB2 ALA A 136 17.003 6.922 6.686 1.00 2.27 H new ATOM 0 HB3 ALA A 136 16.977 5.215 7.190 1.00 2.27 H new ATOM 1925 N GLY A 137 17.031 3.119 4.863 1.00 2.17 N ATOM 1926 CA GLY A 137 17.533 1.734 4.651 1.00 2.51 C ATOM 1927 C GLY A 137 16.786 1.107 3.471 1.00 1.81 C ATOM 1928 O GLY A 137 16.817 -0.092 3.274 1.00 2.11 O ATOM 0 H GLY A 137 16.024 3.196 5.006 1.00 2.17 H new ATOM 0 HA2 GLY A 137 18.605 1.748 4.453 1.00 2.51 H new ATOM 0 HA3 GLY A 137 17.383 1.138 5.551 1.00 2.51 H new ATOM 1932 N ALA A 138 16.109 1.909 2.691 1.00 1.23 N ATOM 1933 CA ALA A 138 15.356 1.363 1.526 1.00 1.37 C ATOM 1934 C ALA A 138 16.259 0.439 0.703 1.00 1.13 C ATOM 1935 O ALA A 138 17.305 0.012 1.149 1.00 1.41 O ATOM 1936 CB ALA A 138 14.872 2.518 0.646 1.00 2.32 C ATOM 0 H ALA A 138 16.046 2.920 2.812 1.00 1.23 H new ATOM 0 HA ALA A 138 14.500 0.794 1.890 1.00 1.37 H new ATOM 0 HB1 ALA A 138 14.321 2.120 -0.206 1.00 2.32 H new ATOM 0 HB2 ALA A 138 14.220 3.170 1.227 1.00 2.32 H new ATOM 0 HB3 ALA A 138 15.730 3.088 0.289 1.00 2.32 H new ATOM 1942 N TYR A 139 15.857 0.115 -0.497 1.00 0.82 N ATOM 1943 CA TYR A 139 16.684 -0.795 -1.341 1.00 0.75 C ATOM 1944 C TYR A 139 16.287 -0.626 -2.815 1.00 0.76 C ATOM 1945 O TYR A 139 16.217 0.477 -3.320 1.00 0.83 O ATOM 1946 CB TYR A 139 16.438 -2.235 -0.884 1.00 0.74 C ATOM 1947 CG TYR A 139 14.952 -2.455 -0.730 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.293 -1.994 0.417 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.230 -3.107 -1.736 1.00 1.41 C ATOM 1950 CE1 TYR A 139 12.914 -2.188 0.559 1.00 1.61 C ATOM 1951 CE2 TYR A 139 12.850 -3.298 -1.595 1.00 1.42 C ATOM 1952 CZ TYR A 139 12.192 -2.839 -0.448 1.00 1.11 C ATOM 1953 OH TYR A 139 10.832 -3.028 -0.310 1.00 1.32 O ATOM 0 H TYR A 139 14.992 0.441 -0.929 1.00 0.82 H new ATOM 0 HA TYR A 139 17.742 -0.555 -1.237 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.849 -2.936 -1.611 1.00 0.74 H new ATOM 0 HB3 TYR A 139 16.946 -2.422 0.062 1.00 0.74 H new ATOM 0 HD1 TYR A 139 14.849 -1.488 1.192 1.00 1.42 H new ATOM 0 HD2 TYR A 139 14.737 -3.463 -2.621 1.00 1.41 H new ATOM 0 HE1 TYR A 139 12.407 -1.835 1.445 1.00 1.61 H new ATOM 0 HE2 TYR A 139 12.293 -3.800 -2.372 1.00 1.42 H new ATOM 0 HH TYR A 139 10.446 -3.270 -1.177 1.00 1.32 H new ATOM 1963 N GLU A 140 16.030 -1.702 -3.513 1.00 0.80 N ATOM 1964 CA GLU A 140 15.642 -1.589 -4.950 1.00 0.87 C ATOM 1965 C GLU A 140 14.220 -2.127 -5.135 1.00 0.77 C ATOM 1966 O GLU A 140 13.866 -3.161 -4.603 1.00 0.73 O ATOM 1967 CB GLU A 140 16.610 -2.408 -5.805 1.00 1.13 C ATOM 1968 CG GLU A 140 18.049 -1.998 -5.479 1.00 0.93 C ATOM 1969 CD GLU A 140 18.984 -3.184 -5.720 1.00 0.94 C ATOM 1970 OE1 GLU A 140 18.491 -4.236 -6.092 1.00 1.65 O ATOM 1971 OE2 GLU A 140 20.178 -3.021 -5.526 1.00 1.25 O ATOM 0 H GLU A 140 16.072 -2.654 -3.149 1.00 0.80 H new ATOM 0 HA GLU A 140 15.681 -0.544 -5.257 1.00 0.87 H new ATOM 0 HB2 GLU A 140 16.471 -3.472 -5.613 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.405 -2.245 -6.863 1.00 1.13 H new ATOM 0 HG2 GLU A 140 18.348 -1.154 -6.100 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.119 -1.671 -4.442 1.00 0.93 H new ATOM 1978 N PHE A 141 13.397 -1.439 -5.880 1.00 0.77 N ATOM 1979 CA PHE A 141 12.001 -1.926 -6.080 1.00 0.75 C ATOM 1980 C PHE A 141 11.751 -2.207 -7.564 1.00 0.72 C ATOM 1981 O PHE A 141 11.651 -1.300 -8.365 1.00 0.73 O ATOM 1982 CB PHE A 141 11.017 -0.861 -5.593 1.00 0.79 C ATOM 1983 CG PHE A 141 9.678 -1.503 -5.315 1.00 0.81 C ATOM 1984 CD1 PHE A 141 9.548 -2.426 -4.271 1.00 1.17 C ATOM 1985 CD2 PHE A 141 8.567 -1.175 -6.102 1.00 1.64 C ATOM 1986 CE1 PHE A 141 8.307 -3.022 -4.013 1.00 1.26 C ATOM 1987 CE2 PHE A 141 7.327 -1.769 -5.845 1.00 1.68 C ATOM 1988 CZ PHE A 141 7.197 -2.694 -4.801 1.00 1.00 C ATOM 0 H PHE A 141 13.628 -0.567 -6.356 1.00 0.77 H new ATOM 0 HA PHE A 141 11.859 -2.846 -5.513 1.00 0.75 H new ATOM 0 HB2 PHE A 141 11.398 -0.384 -4.690 1.00 0.79 H new ATOM 0 HB3 PHE A 141 10.909 -0.079 -6.345 1.00 0.79 H new ATOM 0 HD1 PHE A 141 10.405 -2.679 -3.664 1.00 1.17 H new ATOM 0 HD2 PHE A 141 8.668 -0.463 -6.908 1.00 1.64 H new ATOM 0 HE1 PHE A 141 8.206 -3.734 -3.207 1.00 1.26 H new ATOM 0 HE2 PHE A 141 6.470 -1.515 -6.451 1.00 1.68 H new ATOM 0 HZ PHE A 141 6.240 -3.154 -4.604 1.00 1.00 H new ATOM 1998 N CYS A 142 11.650 -3.455 -7.936 1.00 0.70 N ATOM 1999 CA CYS A 142 11.411 -3.795 -9.361 1.00 0.68 C ATOM 2000 C CYS A 142 10.012 -4.394 -9.529 1.00 0.68 C ATOM 2001 O CYS A 142 9.786 -5.556 -9.259 1.00 0.74 O ATOM 2002 CB CYS A 142 12.459 -4.814 -9.801 1.00 0.68 C ATOM 2003 SG CYS A 142 14.116 -4.104 -9.628 1.00 0.72 S ATOM 0 H CYS A 142 11.724 -4.255 -7.308 1.00 0.70 H new ATOM 0 HA CYS A 142 11.483 -2.895 -9.971 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.376 -5.718 -9.198 1.00 0.68 H new ATOM 0 HB3 CYS A 142 12.284 -5.105 -10.837 1.00 0.68 H new ATOM 2008 N ILE A 143 9.074 -3.609 -9.986 1.00 0.83 N ATOM 2009 CA ILE A 143 7.690 -4.128 -10.185 1.00 0.89 C ATOM 2010 C ILE A 143 7.374 -4.147 -11.678 1.00 0.92 C ATOM 2011 O ILE A 143 7.785 -3.284 -12.428 1.00 0.91 O ATOM 2012 CB ILE A 143 6.695 -3.237 -9.432 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.467 -2.943 -10.300 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.374 -1.920 -9.053 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.458 -2.126 -9.492 1.00 1.22 C ATOM 0 H ILE A 143 9.207 -2.628 -10.231 1.00 0.83 H new ATOM 0 HA ILE A 143 7.610 -5.142 -9.794 1.00 0.89 H new ATOM 0 HB ILE A 143 6.371 -3.761 -8.533 1.00 0.95 H new ATOM 0 HG12 ILE A 143 5.763 -2.394 -11.194 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.012 -3.876 -10.634 1.00 1.11 H new ATOM 0 HG21 ILE A 143 6.666 -1.287 -8.518 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.233 -2.124 -8.414 1.00 0.92 H new ATOM 0 HG23 ILE A 143 7.707 -1.409 -9.956 1.00 0.92 H new ATOM 0 HD11 ILE A 143 3.584 -1.916 -10.108 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.154 -2.692 -8.611 1.00 1.22 H new ATOM 0 HD13 ILE A 143 4.916 -1.187 -9.180 1.00 1.22 H new ATOM 2027 N SER A 144 6.646 -5.136 -12.108 1.00 1.00 N ATOM 2028 CA SER A 144 6.296 -5.233 -13.552 1.00 1.07 C ATOM 2029 C SER A 144 4.799 -5.496 -13.691 1.00 1.14 C ATOM 2030 O SER A 144 4.262 -5.511 -14.782 1.00 1.33 O ATOM 2031 CB SER A 144 7.072 -6.389 -14.188 1.00 1.17 C ATOM 2032 OG SER A 144 6.343 -7.595 -14.011 1.00 1.28 O ATOM 0 H SER A 144 6.277 -5.884 -11.521 1.00 1.00 H new ATOM 0 HA SER A 144 6.554 -4.300 -14.053 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.228 -6.197 -15.250 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.058 -6.476 -13.731 1.00 1.17 H new ATOM 0 HG SER A 144 6.836 -8.338 -14.418 1.00 1.28 H new ATOM 2038 N GLN A 145 4.118 -5.706 -12.599 1.00 1.08 N ATOM 2039 CA GLN A 145 2.653 -5.972 -12.692 1.00 1.29 C ATOM 2040 C GLN A 145 1.956 -5.555 -11.395 1.00 1.38 C ATOM 2041 O GLN A 145 2.572 -5.427 -10.356 1.00 1.99 O ATOM 2042 CB GLN A 145 2.416 -7.464 -12.938 1.00 1.40 C ATOM 2043 CG GLN A 145 3.724 -8.126 -13.380 1.00 1.94 C ATOM 2044 CD GLN A 145 3.512 -9.636 -13.510 1.00 2.35 C ATOM 2045 OE1 GLN A 145 2.420 -10.128 -13.308 1.00 2.30 O ATOM 2046 NE2 GLN A 145 4.519 -10.397 -13.841 1.00 3.30 N ATOM 0 H GLN A 145 4.506 -5.705 -11.656 1.00 1.08 H new ATOM 0 HA GLN A 145 2.242 -5.393 -13.519 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.046 -7.938 -12.029 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.651 -7.600 -13.703 1.00 1.40 H new ATOM 0 HG2 GLN A 145 4.051 -7.710 -14.333 1.00 1.94 H new ATOM 0 HG3 GLN A 145 4.512 -7.919 -12.655 1.00 1.94 H new ATOM 0 HE21 GLN A 145 5.436 -9.984 -14.011 1.00 3.30 H new ATOM 0 HE22 GLN A 145 4.389 -11.405 -13.930 1.00 3.30 H new ATOM 2055 N VAL A 146 0.668 -5.347 -11.457 1.00 1.54 N ATOM 2056 CA VAL A 146 -0.090 -4.942 -10.239 1.00 1.53 C ATOM 2057 C VAL A 146 -1.572 -4.815 -10.594 1.00 1.48 C ATOM 2058 O VAL A 146 -1.940 -4.091 -11.498 1.00 1.44 O ATOM 2059 CB VAL A 146 0.432 -3.597 -9.732 1.00 1.59 C ATOM 2060 CG1 VAL A 146 0.088 -2.501 -10.742 1.00 2.26 C ATOM 2061 CG2 VAL A 146 -0.223 -3.273 -8.387 1.00 2.16 C ATOM 0 H VAL A 146 0.106 -5.441 -12.303 1.00 1.54 H new ATOM 0 HA VAL A 146 0.040 -5.693 -9.459 1.00 1.53 H new ATOM 0 HB VAL A 146 1.514 -3.650 -9.609 1.00 1.59 H new ATOM 0 HG11 VAL A 146 0.460 -1.543 -10.380 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.552 -2.732 -11.701 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -0.994 -2.447 -10.866 1.00 2.26 H new ATOM 0 HG21 VAL A 146 0.148 -2.315 -8.023 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.304 -3.220 -8.512 1.00 2.16 H new ATOM 0 HG23 VAL A 146 0.021 -4.053 -7.666 1.00 2.16 H new ATOM 2071 N SER A 147 -2.426 -5.513 -9.897 1.00 1.63 N ATOM 2072 CA SER A 147 -3.879 -5.424 -10.211 1.00 1.76 C ATOM 2073 C SER A 147 -4.694 -5.456 -8.918 1.00 2.04 C ATOM 2074 O SER A 147 -4.445 -6.251 -8.033 1.00 2.17 O ATOM 2075 CB SER A 147 -4.282 -6.605 -11.096 1.00 2.02 C ATOM 2076 OG SER A 147 -5.515 -7.138 -10.634 1.00 2.76 O ATOM 0 H SER A 147 -2.182 -6.137 -9.128 1.00 1.63 H new ATOM 0 HA SER A 147 -4.075 -4.489 -10.735 1.00 1.76 H new ATOM 0 HB2 SER A 147 -4.378 -6.282 -12.132 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.509 -7.373 -11.072 1.00 2.02 H new ATOM 0 HG SER A 147 -5.622 -8.053 -10.968 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.671 -4.598 -8.804 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.507 -4.578 -7.572 1.00 2.65 C ATOM 2084 C LEU A 148 -7.897 -5.132 -7.893 1.00 2.54 C ATOM 2085 O LEU A 148 -8.424 -4.926 -8.968 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.638 -3.139 -7.067 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.909 -3.006 -6.227 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -7.697 -1.947 -5.143 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -9.072 -2.585 -7.128 1.00 3.26 C ATOM 0 H LEU A 148 -5.926 -3.910 -9.512 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.037 -5.192 -6.803 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -5.766 -2.871 -6.471 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -6.673 -2.448 -7.910 1.00 3.24 H new ATOM 0 HG LEU A 148 -8.137 -3.964 -5.759 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -8.603 -1.852 -4.545 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -6.868 -2.244 -4.501 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -7.469 -0.989 -5.610 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -9.979 -2.490 -6.531 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -8.842 -1.627 -7.595 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -9.224 -3.338 -7.901 1.00 3.26 H new ATOM 2101 N THR A 149 -8.494 -5.836 -6.971 1.00 2.09 N ATOM 2102 CA THR A 149 -9.849 -6.402 -7.228 1.00 2.24 C ATOM 2103 C THR A 149 -10.477 -6.848 -5.906 1.00 1.93 C ATOM 2104 O THR A 149 -9.938 -6.615 -4.842 1.00 1.84 O ATOM 2105 CB THR A 149 -9.730 -7.605 -8.167 1.00 2.53 C ATOM 2106 OG1 THR A 149 -10.988 -8.257 -8.259 1.00 3.07 O ATOM 2107 CG2 THR A 149 -8.685 -8.579 -7.623 1.00 2.42 C ATOM 0 H THR A 149 -8.103 -6.044 -6.052 1.00 2.09 H new ATOM 0 HA THR A 149 -10.478 -5.641 -7.690 1.00 2.24 H new ATOM 0 HB THR A 149 -9.424 -7.265 -9.156 1.00 2.53 H new ATOM 0 HG1 THR A 149 -10.975 -8.889 -9.008 1.00 3.07 H new ATOM 0 HG21 THR A 149 -8.602 -9.435 -8.293 1.00 2.42 H new ATOM 0 HG22 THR A 149 -7.720 -8.077 -7.555 1.00 2.42 H new ATOM 0 HG23 THR A 149 -8.987 -8.921 -6.633 1.00 2.42 H new ATOM 2115 N THR A 150 -11.611 -7.491 -5.966 1.00 1.92 N ATOM 2116 CA THR A 150 -12.273 -7.953 -4.714 1.00 1.72 C ATOM 2117 C THR A 150 -12.847 -9.355 -4.929 1.00 1.75 C ATOM 2118 O THR A 150 -12.129 -10.335 -4.936 1.00 2.00 O ATOM 2119 CB THR A 150 -13.406 -6.990 -4.351 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.256 -7.603 -3.392 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.210 -6.648 -5.606 1.00 1.66 C ATOM 0 H THR A 150 -12.107 -7.716 -6.828 1.00 1.92 H new ATOM 0 HA THR A 150 -11.543 -7.978 -3.905 1.00 1.72 H new ATOM 0 HB THR A 150 -12.986 -6.075 -3.933 1.00 1.59 H new ATOM 0 HG1 THR A 150 -14.087 -7.213 -2.509 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.016 -5.962 -5.346 1.00 1.66 H new ATOM 0 HG22 THR A 150 -13.556 -6.177 -6.340 1.00 1.66 H new ATOM 0 HG23 THR A 150 -14.632 -7.560 -6.028 1.00 1.66 H new