USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=31 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 45 GLN : amide:sc= -10.3! C(o=-24!,f=-18!) USER MOD Set 1.2: A 47 ASN : amide:sc= -13.6! C(o=-24!,f=-18!) USER MOD Set 2.1: A 14 SER OG : rot -65:sc= 0.605 USER MOD Set 2.2: A 144 SER OG : rot -61:sc= -4.16! USER MOD Set 2.3: A 145 GLN : amide:sc= -9.8! C(o=-13!,f=-12!) USER MOD Single : A 12 HIS : no HE2:sc= -4.35! C(o=-4.3!,f=-4.5!) USER MOD Single : A 13 THR OG1 : rot -69:sc= -2.63! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 5:sc= 0.0768 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.815 USER MOD Single : A 27 THR OG1 : rot 85:sc= -1.36! USER MOD Single : A 28 SER OG : rot 180:sc= -0.133 USER MOD Single : A 37 MET CE :methyl -164:sc= -0.0377 (180deg=-0.0847) USER MOD Single : A 55 TYR OH : rot 14:sc= -3.03 USER MOD Single : A 56 ASN : amide:sc= -3.37 K(o=-3.4,f=-7!) USER MOD Single : A 65 SER OG : rot -170:sc= -3.02! USER MOD Single : A 66 TYR OH : rot 136:sc= -1.2 USER MOD Single : A 69 SER OG : rot 48:sc= 0.258 USER MOD Single : A 71 THR OG1 : rot 33:sc= -6.41! USER MOD Single : A 73 SER OG : rot -3:sc= 0.579! USER MOD Single : A 75 THR OG1 : rot 176:sc= -1.21 USER MOD Single : A 78 MET CE :methyl -168:sc= -2.56! (180deg=-3.47!) USER MOD Single : A 93 THR OG1 : rot 131:sc= -0.498! USER MOD Single : A 97 GLN : amide:sc= -4.29! C(o=-4.3!,f=-5.7!) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.537! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 111 TYR OH : rot 50:sc= -3.34 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 115 SER OG : rot 120:sc= -3.92! USER MOD Single : A 116 ASN : amide:sc= -0.972 X(o=-0.97,f=-0.95) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0809 USER MOD Single : A 128 GLN : amide:sc= -5.43! C(o=-5.4!,f=-4!) USER MOD Single : A 132 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-4.5!) USER MOD Single : A 135 LYS NZ :NH3+ 153:sc= -1.99! (180deg=-2.59!) USER MOD Single : A 139 TYR OH : rot -34:sc= 0.297 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 139:sc= -0.0211! USER MOD Single : A 150 THR OG1 : rot 55:sc= 0.293 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 7 -11.923 -9.176 -11.494 1.00 2.11 N ATOM 82 CA VAL A 7 -12.658 -7.987 -12.011 1.00 2.12 C ATOM 83 C VAL A 7 -11.715 -6.783 -12.053 1.00 2.11 C ATOM 84 O VAL A 7 -12.020 -5.726 -11.539 1.00 2.83 O ATOM 85 CB VAL A 7 -13.839 -7.678 -11.090 1.00 2.16 C ATOM 86 CG1 VAL A 7 -14.951 -7.001 -11.894 1.00 2.17 C ATOM 87 CG2 VAL A 7 -14.368 -8.981 -10.487 1.00 2.42 C ATOM 0 HA VAL A 7 -13.026 -8.195 -13.016 1.00 2.12 H new ATOM 0 HB VAL A 7 -13.512 -7.012 -10.291 1.00 2.16 H new ATOM 0 HG11 VAL A 7 -15.793 -6.781 -11.237 1.00 2.17 H new ATOM 0 HG12 VAL A 7 -14.575 -6.073 -12.325 1.00 2.17 H new ATOM 0 HG13 VAL A 7 -15.279 -7.666 -12.693 1.00 2.17 H new ATOM 0 HG21 VAL A 7 -15.210 -8.762 -9.830 1.00 2.42 H new ATOM 0 HG22 VAL A 7 -14.695 -9.646 -11.287 1.00 2.42 H new ATOM 0 HG23 VAL A 7 -13.577 -9.464 -9.914 1.00 2.42 H new ATOM 97 N GLU A 8 -10.570 -6.935 -12.661 1.00 1.96 N ATOM 98 CA GLU A 8 -9.609 -5.798 -12.735 1.00 2.32 C ATOM 99 C GLU A 8 -10.335 -4.548 -13.236 1.00 2.30 C ATOM 100 O GLU A 8 -10.669 -4.436 -14.399 1.00 2.59 O ATOM 101 CB GLU A 8 -8.476 -6.151 -13.701 1.00 3.06 C ATOM 102 CG GLU A 8 -7.797 -4.867 -14.183 1.00 3.55 C ATOM 103 CD GLU A 8 -7.419 -4.005 -12.977 1.00 4.20 C ATOM 104 OE1 GLU A 8 -8.313 -3.414 -12.394 1.00 4.42 O ATOM 105 OE2 GLU A 8 -6.243 -3.950 -12.658 1.00 4.75 O ATOM 0 H GLU A 8 -10.259 -7.797 -13.109 1.00 1.96 H new ATOM 0 HA GLU A 8 -9.196 -5.606 -11.745 1.00 2.32 H new ATOM 0 HB2 GLU A 8 -7.749 -6.795 -13.206 1.00 3.06 H new ATOM 0 HB3 GLU A 8 -8.869 -6.708 -14.551 1.00 3.06 H new ATOM 0 HG2 GLU A 8 -6.907 -5.110 -14.763 1.00 3.55 H new ATOM 0 HG3 GLU A 8 -8.466 -4.315 -14.843 1.00 3.55 H new ATOM 112 N LEU A 9 -10.582 -3.606 -12.367 1.00 2.76 N ATOM 113 CA LEU A 9 -11.286 -2.365 -12.793 1.00 3.48 C ATOM 114 C LEU A 9 -10.267 -1.365 -13.345 1.00 3.43 C ATOM 115 O LEU A 9 -10.463 -0.167 -13.286 1.00 4.12 O ATOM 116 CB LEU A 9 -12.004 -1.749 -11.590 1.00 3.72 C ATOM 117 CG LEU A 9 -13.422 -2.315 -11.499 1.00 4.22 C ATOM 118 CD1 LEU A 9 -13.885 -2.300 -10.041 1.00 4.95 C ATOM 119 CD2 LEU A 9 -14.368 -1.457 -12.341 1.00 3.49 C ATOM 0 H LEU A 9 -10.326 -3.643 -11.380 1.00 2.76 H new ATOM 0 HA LEU A 9 -12.014 -2.607 -13.567 1.00 3.48 H new ATOM 0 HB2 LEU A 9 -11.454 -1.967 -10.674 1.00 3.72 H new ATOM 0 HB3 LEU A 9 -12.040 -0.664 -11.690 1.00 3.72 H new ATOM 0 HG LEU A 9 -13.429 -3.339 -11.872 1.00 4.22 H new ATOM 0 HD11 LEU A 9 -14.896 -2.703 -9.976 1.00 4.95 H new ATOM 0 HD12 LEU A 9 -13.211 -2.910 -9.439 1.00 4.95 H new ATOM 0 HD13 LEU A 9 -13.878 -1.276 -9.668 1.00 4.95 H new ATOM 0 HD21 LEU A 9 -15.379 -1.860 -12.277 1.00 3.49 H new ATOM 0 HD22 LEU A 9 -14.361 -0.433 -11.967 1.00 3.49 H new ATOM 0 HD23 LEU A 9 -14.039 -1.466 -13.380 1.00 3.49 H new ATOM 131 N LEU A 10 -9.179 -1.847 -13.882 1.00 2.81 N ATOM 132 CA LEU A 10 -8.150 -0.924 -14.437 1.00 2.72 C ATOM 133 C LEU A 10 -7.309 -1.682 -15.470 1.00 2.86 C ATOM 134 O LEU A 10 -6.305 -2.284 -15.147 1.00 2.83 O ATOM 135 CB LEU A 10 -7.266 -0.417 -13.290 1.00 2.41 C ATOM 136 CG LEU A 10 -6.227 0.595 -13.790 1.00 2.12 C ATOM 137 CD1 LEU A 10 -5.014 -0.132 -14.371 1.00 1.99 C ATOM 138 CD2 LEU A 10 -6.833 1.504 -14.864 1.00 2.07 C ATOM 0 H LEU A 10 -8.959 -2.840 -13.960 1.00 2.81 H new ATOM 0 HA LEU A 10 -8.623 -0.070 -14.923 1.00 2.72 H new ATOM 0 HB2 LEU A 10 -7.889 0.047 -12.526 1.00 2.41 H new ATOM 0 HB3 LEU A 10 -6.759 -1.259 -12.820 1.00 2.41 H new ATOM 0 HG LEU A 10 -5.913 1.204 -12.942 1.00 2.12 H new ATOM 0 HD11 LEU A 10 -4.285 0.599 -14.722 1.00 1.99 H new ATOM 0 HD12 LEU A 10 -4.560 -0.756 -13.601 1.00 1.99 H new ATOM 0 HD13 LEU A 10 -5.330 -0.758 -15.205 1.00 1.99 H new ATOM 0 HD21 LEU A 10 -6.081 2.215 -15.206 1.00 2.07 H new ATOM 0 HD22 LEU A 10 -7.169 0.899 -15.706 1.00 2.07 H new ATOM 0 HD23 LEU A 10 -7.681 2.046 -14.446 1.00 2.07 H new ATOM 150 N PRO A 11 -7.740 -1.665 -16.703 1.00 3.10 N ATOM 151 CA PRO A 11 -7.046 -2.372 -17.822 1.00 3.32 C ATOM 152 C PRO A 11 -5.566 -2.001 -17.948 1.00 2.96 C ATOM 153 O PRO A 11 -5.062 -1.798 -19.035 1.00 3.09 O ATOM 154 CB PRO A 11 -7.808 -1.925 -19.073 1.00 3.83 C ATOM 155 CG PRO A 11 -9.146 -1.477 -18.592 1.00 3.73 C ATOM 156 CD PRO A 11 -8.947 -0.965 -17.166 1.00 3.29 C ATOM 0 HA PRO A 11 -7.051 -3.450 -17.661 1.00 3.32 H new ATOM 0 HB2 PRO A 11 -7.284 -1.116 -19.582 1.00 3.83 H new ATOM 0 HB3 PRO A 11 -7.902 -2.743 -19.787 1.00 3.83 H new ATOM 0 HG2 PRO A 11 -9.546 -0.692 -19.234 1.00 3.73 H new ATOM 0 HG3 PRO A 11 -9.861 -2.300 -18.612 1.00 3.73 H new ATOM 0 HD2 PRO A 11 -8.814 0.117 -17.145 1.00 3.29 H new ATOM 0 HD3 PRO A 11 -9.807 -1.193 -16.536 1.00 3.29 H new ATOM 164 N HIS A 12 -4.858 -1.917 -16.855 1.00 2.52 N ATOM 165 CA HIS A 12 -3.410 -1.570 -16.937 1.00 2.16 C ATOM 166 C HIS A 12 -2.698 -2.045 -15.670 1.00 1.83 C ATOM 167 O HIS A 12 -2.791 -1.431 -14.625 1.00 1.69 O ATOM 168 CB HIS A 12 -3.243 -0.055 -17.081 1.00 2.13 C ATOM 169 CG HIS A 12 -1.993 0.239 -17.863 1.00 1.93 C ATOM 170 ND1 HIS A 12 -1.857 -0.101 -19.199 1.00 1.98 N ATOM 171 CD2 HIS A 12 -0.810 0.840 -17.506 1.00 1.81 C ATOM 172 CE1 HIS A 12 -0.634 0.294 -19.596 1.00 1.94 C ATOM 173 NE2 HIS A 12 0.046 0.874 -18.603 1.00 1.82 N ATOM 0 H HIS A 12 -5.217 -2.073 -15.913 1.00 2.52 H new ATOM 0 HA HIS A 12 -2.974 -2.061 -17.807 1.00 2.16 H new ATOM 0 HB2 HIS A 12 -4.110 0.371 -17.587 1.00 2.13 H new ATOM 0 HB3 HIS A 12 -3.187 0.411 -16.097 1.00 2.13 H new ATOM 0 HD1 HIS A 12 -2.557 -0.566 -19.777 1.00 1.98 H new ATOM 0 HD2 HIS A 12 -0.580 1.227 -16.524 1.00 1.81 H new ATOM 0 HE1 HIS A 12 -0.249 0.159 -20.596 1.00 1.94 H new ATOM 181 N THR A 13 -1.987 -3.134 -15.756 1.00 1.82 N ATOM 182 CA THR A 13 -1.266 -3.653 -14.560 1.00 1.56 C ATOM 183 C THR A 13 0.032 -4.328 -15.001 1.00 1.39 C ATOM 184 O THR A 13 0.376 -5.395 -14.533 1.00 1.58 O ATOM 185 CB THR A 13 -2.148 -4.674 -13.837 1.00 1.72 C ATOM 186 OG1 THR A 13 -1.347 -5.443 -12.950 1.00 1.59 O ATOM 187 CG2 THR A 13 -2.809 -5.597 -14.862 1.00 1.97 C ATOM 0 H THR A 13 -1.874 -3.688 -16.605 1.00 1.82 H new ATOM 0 HA THR A 13 -1.037 -2.827 -13.887 1.00 1.56 H new ATOM 0 HB THR A 13 -2.920 -4.153 -13.271 1.00 1.72 H new ATOM 0 HG1 THR A 13 -0.751 -6.024 -13.468 1.00 1.59 H new ATOM 0 HG21 THR A 13 -3.437 -6.323 -14.346 1.00 1.97 H new ATOM 0 HG22 THR A 13 -3.422 -5.006 -15.542 1.00 1.97 H new ATOM 0 HG23 THR A 13 -2.040 -6.121 -15.430 1.00 1.97 H new ATOM 195 N SER A 14 0.757 -3.720 -15.900 1.00 1.20 N ATOM 196 CA SER A 14 2.028 -4.339 -16.365 1.00 1.07 C ATOM 197 C SER A 14 2.967 -3.259 -16.907 1.00 1.04 C ATOM 198 O SER A 14 3.059 -3.046 -18.100 1.00 1.10 O ATOM 199 CB SER A 14 1.726 -5.350 -17.472 1.00 1.14 C ATOM 200 OG SER A 14 0.998 -6.441 -16.924 1.00 1.96 O ATOM 0 H SER A 14 0.524 -2.825 -16.330 1.00 1.20 H new ATOM 0 HA SER A 14 2.508 -4.844 -15.526 1.00 1.07 H new ATOM 0 HB2 SER A 14 1.150 -4.876 -18.267 1.00 1.14 H new ATOM 0 HB3 SER A 14 2.654 -5.705 -17.920 1.00 1.14 H new ATOM 0 HG SER A 14 1.559 -6.917 -16.277 1.00 1.96 H new ATOM 206 N PHE A 15 3.673 -2.580 -16.042 1.00 1.01 N ATOM 207 CA PHE A 15 4.610 -1.524 -16.520 1.00 1.00 C ATOM 208 C PHE A 15 5.780 -2.189 -17.248 1.00 1.00 C ATOM 209 O PHE A 15 6.910 -1.749 -17.161 1.00 0.98 O ATOM 210 CB PHE A 15 5.146 -0.726 -15.328 1.00 0.98 C ATOM 211 CG PHE A 15 4.019 -0.349 -14.392 1.00 0.88 C ATOM 212 CD1 PHE A 15 2.771 0.041 -14.900 1.00 1.74 C ATOM 213 CD2 PHE A 15 4.226 -0.384 -13.008 1.00 1.11 C ATOM 214 CE1 PHE A 15 1.738 0.395 -14.024 1.00 1.76 C ATOM 215 CE2 PHE A 15 3.192 -0.030 -12.132 1.00 1.14 C ATOM 216 CZ PHE A 15 1.948 0.359 -12.641 1.00 0.95 C ATOM 0 H PHE A 15 3.641 -2.710 -15.031 1.00 1.01 H new ATOM 0 HA PHE A 15 4.083 -0.850 -17.195 1.00 1.00 H new ATOM 0 HB2 PHE A 15 5.889 -1.317 -14.792 1.00 0.98 H new ATOM 0 HB3 PHE A 15 5.649 0.174 -15.682 1.00 0.98 H new ATOM 0 HD1 PHE A 15 2.607 0.068 -15.967 1.00 1.74 H new ATOM 0 HD2 PHE A 15 5.186 -0.685 -12.615 1.00 1.11 H new ATOM 0 HE1 PHE A 15 0.778 0.696 -14.416 1.00 1.76 H new ATOM 0 HE2 PHE A 15 3.355 -0.057 -11.065 1.00 1.14 H new ATOM 0 HZ PHE A 15 1.150 0.631 -11.966 1.00 0.95 H new ATOM 226 N ALA A 16 5.519 -3.246 -17.967 1.00 1.06 N ATOM 227 CA ALA A 16 6.613 -3.940 -18.700 1.00 1.09 C ATOM 228 C ALA A 16 6.948 -3.165 -19.976 1.00 1.10 C ATOM 229 O ALA A 16 8.071 -3.170 -20.440 1.00 1.18 O ATOM 230 CB ALA A 16 6.163 -5.356 -19.068 1.00 1.14 C ATOM 0 H ALA A 16 4.593 -3.659 -18.078 1.00 1.06 H new ATOM 0 HA ALA A 16 7.497 -3.992 -18.065 1.00 1.09 H new ATOM 0 HB1 ALA A 16 6.964 -5.864 -19.605 1.00 1.14 H new ATOM 0 HB2 ALA A 16 5.926 -5.910 -18.160 1.00 1.14 H new ATOM 0 HB3 ALA A 16 5.278 -5.303 -19.702 1.00 1.14 H new ATOM 236 N GLU A 17 5.983 -2.500 -20.549 1.00 1.15 N ATOM 237 CA GLU A 17 6.247 -1.729 -21.795 1.00 1.19 C ATOM 238 C GLU A 17 6.168 -0.231 -21.495 1.00 1.29 C ATOM 239 O GLU A 17 7.171 0.455 -21.443 1.00 1.41 O ATOM 240 CB GLU A 17 5.198 -2.095 -22.845 1.00 1.32 C ATOM 241 CG GLU A 17 5.699 -3.274 -23.681 1.00 1.41 C ATOM 242 CD GLU A 17 4.538 -4.228 -23.967 1.00 1.67 C ATOM 243 OE1 GLU A 17 3.699 -3.881 -24.782 1.00 2.13 O ATOM 244 OE2 GLU A 17 4.508 -5.290 -23.367 1.00 1.96 O ATOM 0 H GLU A 17 5.023 -2.458 -20.208 1.00 1.15 H new ATOM 0 HA GLU A 17 7.241 -1.970 -22.171 1.00 1.19 H new ATOM 0 HB2 GLU A 17 4.257 -2.354 -22.359 1.00 1.32 H new ATOM 0 HB3 GLU A 17 4.999 -1.238 -23.489 1.00 1.32 H new ATOM 0 HG2 GLU A 17 6.127 -2.914 -24.617 1.00 1.41 H new ATOM 0 HG3 GLU A 17 6.492 -3.799 -23.149 1.00 1.41 H new ATOM 251 N SER A 18 4.986 0.284 -21.300 1.00 1.41 N ATOM 252 CA SER A 18 4.845 1.738 -21.006 1.00 1.64 C ATOM 253 C SER A 18 4.432 1.926 -19.545 1.00 1.51 C ATOM 254 O SER A 18 3.696 1.134 -18.991 1.00 1.30 O ATOM 255 CB SER A 18 3.777 2.342 -21.919 1.00 2.02 C ATOM 256 OG SER A 18 4.229 2.292 -23.266 1.00 2.26 O ATOM 0 H SER A 18 4.111 -0.239 -21.331 1.00 1.41 H new ATOM 0 HA SER A 18 5.798 2.237 -21.181 1.00 1.64 H new ATOM 0 HB2 SER A 18 2.841 1.793 -21.816 1.00 2.02 H new ATOM 0 HB3 SER A 18 3.575 3.373 -21.629 1.00 2.02 H new ATOM 0 HG SER A 18 3.546 2.677 -23.855 1.00 2.26 H new ATOM 262 N LEU A 19 4.900 2.969 -18.916 1.00 1.67 N ATOM 263 CA LEU A 19 4.533 3.206 -17.491 1.00 1.59 C ATOM 264 C LEU A 19 3.013 3.140 -17.337 1.00 1.72 C ATOM 265 O LEU A 19 2.496 2.481 -16.457 1.00 2.45 O ATOM 266 CB LEU A 19 5.029 4.589 -17.060 1.00 1.61 C ATOM 267 CG LEU A 19 6.326 4.440 -16.262 1.00 1.71 C ATOM 268 CD1 LEU A 19 7.002 5.805 -16.127 1.00 2.60 C ATOM 269 CD2 LEU A 19 6.006 3.890 -14.870 1.00 1.37 C ATOM 0 H LEU A 19 5.520 3.667 -19.327 1.00 1.67 H new ATOM 0 HA LEU A 19 4.995 2.442 -16.866 1.00 1.59 H new ATOM 0 HB2 LEU A 19 5.198 5.216 -17.936 1.00 1.61 H new ATOM 0 HB3 LEU A 19 4.272 5.086 -16.454 1.00 1.61 H new ATOM 0 HG LEU A 19 6.995 3.753 -16.780 1.00 1.71 H new ATOM 0 HD11 LEU A 19 7.926 5.699 -15.559 1.00 2.60 H new ATOM 0 HD12 LEU A 19 7.229 6.198 -17.118 1.00 2.60 H new ATOM 0 HD13 LEU A 19 6.334 6.492 -15.608 1.00 2.60 H new ATOM 0 HD21 LEU A 19 6.929 3.783 -14.300 1.00 1.37 H new ATOM 0 HD22 LEU A 19 5.337 4.577 -14.352 1.00 1.37 H new ATOM 0 HD23 LEU A 19 5.524 2.917 -14.965 1.00 1.37 H new ATOM 281 N GLY A 20 2.291 3.820 -18.186 1.00 1.44 N ATOM 282 CA GLY A 20 0.804 3.796 -18.087 1.00 1.58 C ATOM 283 C GLY A 20 0.322 5.038 -17.334 1.00 1.59 C ATOM 284 O GLY A 20 1.092 5.926 -17.028 1.00 1.62 O ATOM 0 H GLY A 20 2.667 4.391 -18.943 1.00 1.44 H new ATOM 0 HA2 GLY A 20 0.363 3.768 -19.083 1.00 1.58 H new ATOM 0 HA3 GLY A 20 0.478 2.894 -17.569 1.00 1.58 H new ATOM 288 N PRO A 21 -0.949 5.094 -17.038 1.00 1.60 N ATOM 289 CA PRO A 21 -1.557 6.243 -16.308 1.00 1.60 C ATOM 290 C PRO A 21 -1.113 6.298 -14.844 1.00 1.43 C ATOM 291 O PRO A 21 -1.187 7.326 -14.201 1.00 1.67 O ATOM 292 CB PRO A 21 -3.063 5.987 -16.401 1.00 1.68 C ATOM 293 CG PRO A 21 -3.207 4.520 -16.638 1.00 1.70 C ATOM 294 CD PRO A 21 -1.946 4.065 -17.371 1.00 1.63 C ATOM 0 HA PRO A 21 -1.254 7.198 -16.738 1.00 1.60 H new ATOM 0 HB2 PRO A 21 -3.569 6.287 -15.483 1.00 1.68 H new ATOM 0 HB3 PRO A 21 -3.509 6.561 -17.213 1.00 1.68 H new ATOM 0 HG2 PRO A 21 -3.320 3.985 -15.695 1.00 1.70 H new ATOM 0 HG3 PRO A 21 -4.096 4.310 -17.232 1.00 1.70 H new ATOM 0 HD2 PRO A 21 -1.626 3.077 -17.039 1.00 1.63 H new ATOM 0 HD3 PRO A 21 -2.111 4.002 -18.447 1.00 1.63 H new ATOM 302 N TRP A 22 -0.650 5.200 -14.310 1.00 1.30 N ATOM 303 CA TRP A 22 -0.201 5.197 -12.889 1.00 1.15 C ATOM 304 C TRP A 22 0.822 6.315 -12.680 1.00 1.24 C ATOM 305 O TRP A 22 1.159 7.038 -13.597 1.00 1.48 O ATOM 306 CB TRP A 22 0.437 3.846 -12.557 1.00 1.19 C ATOM 307 CG TRP A 22 -0.637 2.854 -12.241 1.00 1.24 C ATOM 308 CD1 TRP A 22 -1.739 2.638 -12.994 1.00 1.40 C ATOM 309 CD2 TRP A 22 -0.732 1.945 -11.105 1.00 1.50 C ATOM 310 NE1 TRP A 22 -2.505 1.654 -12.395 1.00 1.52 N ATOM 311 CE2 TRP A 22 -1.927 1.195 -11.229 1.00 1.59 C ATOM 312 CE3 TRP A 22 0.092 1.700 -9.993 1.00 1.94 C ATOM 313 CZ2 TRP A 22 -2.290 0.236 -10.280 1.00 1.97 C ATOM 314 CZ3 TRP A 22 -0.270 0.737 -9.038 1.00 2.42 C ATOM 315 CH2 TRP A 22 -1.458 0.006 -9.180 1.00 2.39 C ATOM 0 H TRP A 22 -0.564 4.307 -14.795 1.00 1.30 H new ATOM 0 HA TRP A 22 -1.057 5.361 -12.234 1.00 1.15 H new ATOM 0 HB2 TRP A 22 1.034 3.496 -13.399 1.00 1.19 H new ATOM 0 HB3 TRP A 22 1.113 3.949 -11.708 1.00 1.19 H new ATOM 0 HD1 TRP A 22 -1.982 3.150 -13.913 1.00 1.40 H new ATOM 0 HE1 TRP A 22 -3.389 1.310 -12.769 1.00 1.52 H new ATOM 0 HE3 TRP A 22 1.010 2.256 -9.873 1.00 1.94 H new ATOM 0 HZ2 TRP A 22 -3.207 -0.324 -10.395 1.00 1.97 H new ATOM 0 HZ3 TRP A 22 0.371 0.558 -8.188 1.00 2.42 H new ATOM 0 HH2 TRP A 22 -1.730 -0.733 -8.441 1.00 2.39 H new ATOM 326 N SER A 23 1.316 6.470 -11.482 1.00 1.20 N ATOM 327 CA SER A 23 2.313 7.548 -11.227 1.00 1.36 C ATOM 328 C SER A 23 3.384 7.044 -10.258 1.00 1.28 C ATOM 329 O SER A 23 3.239 6.009 -9.637 1.00 1.33 O ATOM 330 CB SER A 23 1.606 8.760 -10.616 1.00 1.45 C ATOM 331 OG SER A 23 0.889 9.446 -11.633 1.00 1.64 O ATOM 0 H SER A 23 1.074 5.899 -10.672 1.00 1.20 H new ATOM 0 HA SER A 23 2.784 7.833 -12.168 1.00 1.36 H new ATOM 0 HB2 SER A 23 0.925 8.439 -9.828 1.00 1.45 H new ATOM 0 HB3 SER A 23 2.335 9.427 -10.156 1.00 1.45 H new ATOM 0 HG SER A 23 0.944 8.940 -12.470 1.00 1.64 H new ATOM 337 N LEU A 24 4.460 7.770 -10.124 1.00 1.31 N ATOM 338 CA LEU A 24 5.545 7.342 -9.198 1.00 1.25 C ATOM 339 C LEU A 24 6.616 8.432 -9.132 1.00 1.30 C ATOM 340 O LEU A 24 6.630 9.349 -9.927 1.00 1.47 O ATOM 341 CB LEU A 24 6.163 6.029 -9.694 1.00 1.40 C ATOM 342 CG LEU A 24 6.932 6.255 -11.001 1.00 1.44 C ATOM 343 CD1 LEU A 24 6.084 7.078 -11.974 1.00 2.02 C ATOM 344 CD2 LEU A 24 8.242 6.994 -10.714 1.00 2.05 C ATOM 0 H LEU A 24 4.634 8.645 -10.619 1.00 1.31 H new ATOM 0 HA LEU A 24 5.131 7.183 -8.202 1.00 1.25 H new ATOM 0 HB2 LEU A 24 6.835 5.627 -8.935 1.00 1.40 H new ATOM 0 HB3 LEU A 24 5.379 5.288 -9.850 1.00 1.40 H new ATOM 0 HG LEU A 24 7.154 5.287 -11.449 1.00 1.44 H new ATOM 0 HD11 LEU A 24 6.639 7.233 -12.899 1.00 2.02 H new ATOM 0 HD12 LEU A 24 5.159 6.545 -12.191 1.00 2.02 H new ATOM 0 HD13 LEU A 24 5.850 8.043 -11.526 1.00 2.02 H new ATOM 0 HD21 LEU A 24 8.783 7.151 -11.647 1.00 2.05 H new ATOM 0 HD22 LEU A 24 8.023 7.958 -10.255 1.00 2.05 H new ATOM 0 HD23 LEU A 24 8.854 6.400 -10.035 1.00 2.05 H new ATOM 356 N TYR A 25 7.515 8.344 -8.189 1.00 1.23 N ATOM 357 CA TYR A 25 8.579 9.380 -8.081 1.00 1.38 C ATOM 358 C TYR A 25 9.292 9.247 -6.733 1.00 1.34 C ATOM 359 O TYR A 25 9.012 8.356 -5.957 1.00 1.42 O ATOM 360 CB TYR A 25 7.949 10.770 -8.186 1.00 1.72 C ATOM 361 CG TYR A 25 6.519 10.716 -7.703 1.00 1.09 C ATOM 362 CD1 TYR A 25 6.163 9.853 -6.660 1.00 1.22 C ATOM 363 CD2 TYR A 25 5.548 11.528 -8.302 1.00 1.62 C ATOM 364 CE1 TYR A 25 4.837 9.802 -6.214 1.00 1.27 C ATOM 365 CE2 TYR A 25 4.221 11.477 -7.856 1.00 1.57 C ATOM 366 CZ TYR A 25 3.866 10.614 -6.812 1.00 1.08 C ATOM 367 OH TYR A 25 2.559 10.564 -6.373 1.00 1.63 O ATOM 0 H TYR A 25 7.558 7.601 -7.491 1.00 1.23 H new ATOM 0 HA TYR A 25 9.299 9.243 -8.887 1.00 1.38 H new ATOM 0 HB2 TYR A 25 8.518 11.484 -7.590 1.00 1.72 H new ATOM 0 HB3 TYR A 25 7.982 11.118 -9.218 1.00 1.72 H new ATOM 0 HD1 TYR A 25 6.912 9.226 -6.199 1.00 1.22 H new ATOM 0 HD2 TYR A 25 5.822 12.193 -9.107 1.00 1.62 H new ATOM 0 HE1 TYR A 25 4.563 9.136 -5.409 1.00 1.27 H new ATOM 0 HE2 TYR A 25 3.472 12.103 -8.317 1.00 1.57 H new ATOM 0 HH TYR A 25 2.015 11.191 -6.894 1.00 1.63 H new ATOM 377 N GLY A 26 10.209 10.132 -6.448 1.00 1.33 N ATOM 378 CA GLY A 26 10.937 10.061 -5.149 1.00 1.32 C ATOM 379 C GLY A 26 12.244 9.287 -5.328 1.00 1.25 C ATOM 380 O GLY A 26 13.209 9.516 -4.628 1.00 1.70 O ATOM 0 H GLY A 26 10.485 10.901 -7.059 1.00 1.33 H new ATOM 0 HA2 GLY A 26 11.146 11.066 -4.784 1.00 1.32 H new ATOM 0 HA3 GLY A 26 10.315 9.573 -4.399 1.00 1.32 H new ATOM 384 N THR A 27 12.285 8.371 -6.257 1.00 0.93 N ATOM 385 CA THR A 27 13.537 7.589 -6.468 1.00 0.90 C ATOM 386 C THR A 27 14.174 8.002 -7.799 1.00 0.92 C ATOM 387 O THR A 27 14.155 9.158 -8.173 1.00 0.97 O ATOM 388 CB THR A 27 13.192 6.092 -6.475 1.00 0.88 C ATOM 389 OG1 THR A 27 13.949 5.407 -7.461 1.00 0.73 O ATOM 390 CG2 THR A 27 11.701 5.910 -6.762 1.00 0.95 C ATOM 0 H THR A 27 11.511 8.131 -6.876 1.00 0.93 H new ATOM 0 HA THR A 27 14.248 7.787 -5.666 1.00 0.90 H new ATOM 0 HB THR A 27 13.434 5.677 -5.497 1.00 0.88 H new ATOM 0 HG1 THR A 27 14.825 5.168 -7.093 1.00 0.73 H new ATOM 0 HG21 THR A 27 11.458 4.847 -6.767 1.00 0.95 H new ATOM 0 HG22 THR A 27 11.118 6.412 -5.990 1.00 0.95 H new ATOM 0 HG23 THR A 27 11.462 6.341 -7.734 1.00 0.95 H new ATOM 398 N SER A 28 14.730 7.069 -8.515 1.00 1.12 N ATOM 399 CA SER A 28 15.362 7.403 -9.822 1.00 1.40 C ATOM 400 C SER A 28 14.325 7.255 -10.936 1.00 1.29 C ATOM 401 O SER A 28 13.138 7.195 -10.687 1.00 0.98 O ATOM 402 CB SER A 28 16.531 6.452 -10.082 1.00 1.80 C ATOM 403 OG SER A 28 16.051 5.292 -10.751 1.00 1.73 O ATOM 0 H SER A 28 14.775 6.085 -8.252 1.00 1.12 H new ATOM 0 HA SER A 28 15.730 8.429 -9.799 1.00 1.40 H new ATOM 0 HB2 SER A 28 17.290 6.947 -10.687 1.00 1.80 H new ATOM 0 HB3 SER A 28 17.005 6.174 -9.141 1.00 1.80 H new ATOM 0 HG SER A 28 16.797 4.680 -10.921 1.00 1.73 H new ATOM 409 N GLU A 29 14.764 7.189 -12.163 1.00 1.62 N ATOM 410 CA GLU A 29 13.803 7.036 -13.291 1.00 1.60 C ATOM 411 C GLU A 29 13.583 5.543 -13.561 1.00 1.23 C ATOM 412 O GLU A 29 14.477 4.857 -14.015 1.00 1.37 O ATOM 413 CB GLU A 29 14.382 7.699 -14.543 1.00 2.07 C ATOM 414 CG GLU A 29 15.742 7.078 -14.868 1.00 1.86 C ATOM 415 CD GLU A 29 16.758 8.189 -15.141 1.00 1.99 C ATOM 416 OE1 GLU A 29 16.765 8.697 -16.249 1.00 2.40 O ATOM 417 OE2 GLU A 29 17.511 8.510 -14.237 1.00 2.35 O ATOM 0 H GLU A 29 15.747 7.234 -12.433 1.00 1.62 H new ATOM 0 HA GLU A 29 12.854 7.508 -13.036 1.00 1.60 H new ATOM 0 HB2 GLU A 29 13.701 7.569 -15.384 1.00 2.07 H new ATOM 0 HB3 GLU A 29 14.489 8.772 -14.383 1.00 2.07 H new ATOM 0 HG2 GLU A 29 16.079 6.459 -14.037 1.00 1.86 H new ATOM 0 HG3 GLU A 29 15.658 6.426 -15.737 1.00 1.86 H new ATOM 424 N PRO A 30 12.407 5.036 -13.286 1.00 0.95 N ATOM 425 CA PRO A 30 12.090 3.599 -13.507 1.00 0.81 C ATOM 426 C PRO A 30 12.574 3.108 -14.874 1.00 0.80 C ATOM 427 O PRO A 30 12.808 3.888 -15.775 1.00 0.86 O ATOM 428 CB PRO A 30 10.564 3.545 -13.430 1.00 0.94 C ATOM 429 CG PRO A 30 10.165 4.708 -12.584 1.00 1.13 C ATOM 430 CD PRO A 30 11.254 5.772 -12.739 1.00 1.10 C ATOM 0 HA PRO A 30 12.583 2.958 -12.777 1.00 0.81 H new ATOM 0 HB2 PRO A 30 10.119 3.611 -14.423 1.00 0.94 H new ATOM 0 HB3 PRO A 30 10.226 2.606 -12.991 1.00 0.94 H new ATOM 0 HG2 PRO A 30 9.197 5.099 -12.898 1.00 1.13 H new ATOM 0 HG3 PRO A 30 10.064 4.409 -11.541 1.00 1.13 H new ATOM 0 HD2 PRO A 30 10.937 6.571 -13.410 1.00 1.10 H new ATOM 0 HD3 PRO A 30 11.496 6.236 -11.783 1.00 1.10 H new ATOM 438 N VAL A 31 12.729 1.822 -15.036 1.00 0.80 N ATOM 439 CA VAL A 31 13.201 1.293 -16.346 1.00 0.82 C ATOM 440 C VAL A 31 12.504 -0.033 -16.652 1.00 0.78 C ATOM 441 O VAL A 31 12.771 -1.043 -16.030 1.00 0.84 O ATOM 442 CB VAL A 31 14.714 1.073 -16.291 1.00 0.92 C ATOM 443 CG1 VAL A 31 15.220 0.652 -17.672 1.00 0.99 C ATOM 444 CG2 VAL A 31 15.402 2.373 -15.871 1.00 1.05 C ATOM 0 H VAL A 31 12.550 1.118 -14.320 1.00 0.80 H new ATOM 0 HA VAL A 31 12.964 2.012 -17.130 1.00 0.82 H new ATOM 0 HB VAL A 31 14.941 0.290 -15.567 1.00 0.92 H new ATOM 0 HG11 VAL A 31 16.298 0.495 -17.632 1.00 0.99 H new ATOM 0 HG12 VAL A 31 14.730 -0.274 -17.972 1.00 0.99 H new ATOM 0 HG13 VAL A 31 14.993 1.434 -18.397 1.00 0.99 H new ATOM 0 HG21 VAL A 31 16.480 2.218 -15.831 1.00 1.05 H new ATOM 0 HG22 VAL A 31 15.174 3.155 -16.595 1.00 1.05 H new ATOM 0 HG23 VAL A 31 15.042 2.674 -14.887 1.00 1.05 H new ATOM 454 N PHE A 32 11.617 -0.041 -17.609 1.00 0.74 N ATOM 455 CA PHE A 32 10.908 -1.303 -17.963 1.00 0.77 C ATOM 456 C PHE A 32 11.890 -2.270 -18.628 1.00 0.87 C ATOM 457 O PHE A 32 11.841 -2.503 -19.819 1.00 1.19 O ATOM 458 CB PHE A 32 9.755 -0.991 -18.921 1.00 0.78 C ATOM 459 CG PHE A 32 10.084 0.238 -19.736 1.00 0.93 C ATOM 460 CD1 PHE A 32 11.367 0.410 -20.271 1.00 1.63 C ATOM 461 CD2 PHE A 32 9.100 1.210 -19.954 1.00 1.50 C ATOM 462 CE1 PHE A 32 11.664 1.553 -21.024 1.00 1.82 C ATOM 463 CE2 PHE A 32 9.397 2.352 -20.707 1.00 1.78 C ATOM 464 CZ PHE A 32 10.679 2.523 -21.241 1.00 1.56 C ATOM 0 H PHE A 32 11.352 0.774 -18.162 1.00 0.74 H new ATOM 0 HA PHE A 32 10.508 -1.763 -17.059 1.00 0.77 H new ATOM 0 HB2 PHE A 32 9.579 -1.840 -19.582 1.00 0.78 H new ATOM 0 HB3 PHE A 32 8.836 -0.830 -18.358 1.00 0.78 H new ATOM 0 HD1 PHE A 32 12.127 -0.339 -20.103 1.00 1.63 H new ATOM 0 HD2 PHE A 32 8.111 1.078 -19.541 1.00 1.50 H new ATOM 0 HE1 PHE A 32 12.653 1.686 -21.437 1.00 1.82 H new ATOM 0 HE2 PHE A 32 8.637 3.101 -20.876 1.00 1.78 H new ATOM 0 HZ PHE A 32 10.909 3.405 -21.821 1.00 1.56 H new ATOM 474 N ALA A 33 12.783 -2.834 -17.863 1.00 0.77 N ATOM 475 CA ALA A 33 13.774 -3.785 -18.444 1.00 0.84 C ATOM 476 C ALA A 33 13.050 -5.029 -18.963 1.00 0.67 C ATOM 477 O ALA A 33 11.998 -4.941 -19.562 1.00 0.92 O ATOM 478 CB ALA A 33 14.781 -4.193 -17.366 1.00 1.17 C ATOM 0 H ALA A 33 12.870 -2.678 -16.859 1.00 0.77 H new ATOM 0 HA ALA A 33 14.298 -3.302 -19.269 1.00 0.84 H new ATOM 0 HB1 ALA A 33 15.506 -4.888 -17.790 1.00 1.17 H new ATOM 0 HB2 ALA A 33 15.299 -3.307 -16.999 1.00 1.17 H new ATOM 0 HB3 ALA A 33 14.256 -4.674 -16.541 1.00 1.17 H new ATOM 484 N ASP A 34 13.609 -6.186 -18.738 1.00 0.77 N ATOM 485 CA ASP A 34 12.958 -7.437 -19.219 1.00 0.85 C ATOM 486 C ASP A 34 11.487 -7.444 -18.795 1.00 0.84 C ATOM 487 O ASP A 34 11.117 -8.061 -17.816 1.00 0.99 O ATOM 488 CB ASP A 34 13.669 -8.648 -18.613 1.00 1.13 C ATOM 489 CG ASP A 34 15.160 -8.340 -18.456 1.00 1.54 C ATOM 490 OD1 ASP A 34 15.485 -7.484 -17.650 1.00 1.78 O ATOM 491 OD2 ASP A 34 15.949 -8.965 -19.145 1.00 2.21 O ATOM 0 H ASP A 34 14.490 -6.319 -18.241 1.00 0.77 H new ATOM 0 HA ASP A 34 13.023 -7.484 -20.306 1.00 0.85 H new ATOM 0 HB2 ASP A 34 13.233 -8.891 -17.644 1.00 1.13 H new ATOM 0 HB3 ASP A 34 13.532 -9.520 -19.252 1.00 1.13 H new ATOM 496 N GLY A 35 10.648 -6.763 -19.525 1.00 0.84 N ATOM 497 CA GLY A 35 9.202 -6.733 -19.163 1.00 1.02 C ATOM 498 C GLY A 35 9.052 -6.441 -17.669 1.00 0.90 C ATOM 499 O GLY A 35 8.116 -6.883 -17.033 1.00 1.19 O ATOM 0 H GLY A 35 10.900 -6.227 -20.355 1.00 0.84 H new ATOM 0 HA2 GLY A 35 8.687 -5.970 -19.746 1.00 1.02 H new ATOM 0 HA3 GLY A 35 8.736 -7.688 -19.406 1.00 1.02 H new ATOM 503 N ARG A 36 9.966 -5.700 -17.103 1.00 0.66 N ATOM 504 CA ARG A 36 9.868 -5.383 -15.650 1.00 0.63 C ATOM 505 C ARG A 36 10.379 -3.964 -15.400 1.00 0.62 C ATOM 506 O ARG A 36 11.327 -3.517 -16.014 1.00 0.68 O ATOM 507 CB ARG A 36 10.715 -6.374 -14.848 1.00 0.70 C ATOM 508 CG ARG A 36 12.102 -6.493 -15.483 1.00 1.16 C ATOM 509 CD ARG A 36 13.173 -6.391 -14.394 1.00 1.40 C ATOM 510 NE ARG A 36 13.177 -7.640 -13.583 1.00 2.02 N ATOM 511 CZ ARG A 36 14.186 -7.906 -12.799 1.00 2.19 C ATOM 512 NH1 ARG A 36 15.192 -7.078 -12.727 1.00 2.28 N ATOM 513 NH2 ARG A 36 14.189 -9.000 -12.089 1.00 2.91 N ATOM 0 H ARG A 36 10.774 -5.302 -17.582 1.00 0.66 H new ATOM 0 HA ARG A 36 8.827 -5.457 -15.336 1.00 0.63 H new ATOM 0 HB2 ARG A 36 10.804 -6.039 -13.815 1.00 0.70 H new ATOM 0 HB3 ARG A 36 10.229 -7.349 -14.826 1.00 0.70 H new ATOM 0 HG2 ARG A 36 12.192 -7.443 -16.009 1.00 1.16 H new ATOM 0 HG3 ARG A 36 12.244 -5.705 -16.222 1.00 1.16 H new ATOM 0 HD2 ARG A 36 14.153 -6.235 -14.846 1.00 1.40 H new ATOM 0 HD3 ARG A 36 12.976 -5.530 -13.755 1.00 1.40 H new ATOM 0 HE ARG A 36 12.391 -8.288 -13.640 1.00 2.02 H new ATOM 0 HH11 ARG A 36 15.190 -6.223 -13.283 1.00 2.28 H new ATOM 0 HH12 ARG A 36 15.981 -7.286 -12.114 1.00 2.28 H new ATOM 0 HH21 ARG A 36 13.403 -9.647 -12.147 1.00 2.91 H new ATOM 0 HH22 ARG A 36 14.977 -9.208 -11.476 1.00 2.91 H new ATOM 527 N MET A 37 9.758 -3.255 -14.499 1.00 0.63 N ATOM 528 CA MET A 37 10.205 -1.866 -14.202 1.00 0.67 C ATOM 529 C MET A 37 10.842 -1.830 -12.812 1.00 0.68 C ATOM 530 O MET A 37 10.245 -2.238 -11.836 1.00 0.67 O ATOM 531 CB MET A 37 9.002 -0.922 -14.240 1.00 0.71 C ATOM 532 CG MET A 37 9.404 0.441 -13.675 1.00 0.75 C ATOM 533 SD MET A 37 8.106 1.650 -14.037 1.00 0.88 S ATOM 534 CE MET A 37 7.549 1.902 -12.334 1.00 0.93 C ATOM 0 H MET A 37 8.958 -3.579 -13.954 1.00 0.63 H new ATOM 0 HA MET A 37 10.934 -1.548 -14.947 1.00 0.67 H new ATOM 0 HB2 MET A 37 8.645 -0.812 -15.264 1.00 0.71 H new ATOM 0 HB3 MET A 37 8.180 -1.340 -13.659 1.00 0.71 H new ATOM 0 HG2 MET A 37 9.559 0.369 -12.598 1.00 0.75 H new ATOM 0 HG3 MET A 37 10.349 0.764 -14.112 1.00 0.75 H new ATOM 0 HE1 MET A 37 6.574 2.390 -12.338 1.00 0.93 H new ATOM 0 HE2 MET A 37 7.470 0.938 -11.831 1.00 0.93 H new ATOM 0 HE3 MET A 37 8.266 2.530 -11.806 1.00 0.93 H new ATOM 544 N CYS A 38 12.052 -1.352 -12.714 1.00 0.73 N ATOM 545 CA CYS A 38 12.719 -1.304 -11.384 1.00 0.78 C ATOM 546 C CYS A 38 13.175 0.124 -11.076 1.00 0.89 C ATOM 547 O CYS A 38 13.413 0.918 -11.964 1.00 0.88 O ATOM 548 CB CYS A 38 13.933 -2.236 -11.390 1.00 0.79 C ATOM 549 SG CYS A 38 13.418 -3.893 -11.905 1.00 1.06 S ATOM 0 H CYS A 38 12.605 -0.995 -13.493 1.00 0.73 H new ATOM 0 HA CYS A 38 12.012 -1.625 -10.619 1.00 0.78 H new ATOM 0 HB2 CYS A 38 14.696 -1.853 -12.068 1.00 0.79 H new ATOM 0 HB3 CYS A 38 14.380 -2.275 -10.397 1.00 0.79 H new ATOM 554 N VAL A 39 13.303 0.448 -9.819 1.00 1.04 N ATOM 555 CA VAL A 39 13.750 1.817 -9.436 1.00 1.18 C ATOM 556 C VAL A 39 14.930 1.704 -8.469 1.00 1.37 C ATOM 557 O VAL A 39 14.947 0.861 -7.593 1.00 1.26 O ATOM 558 CB VAL A 39 12.599 2.559 -8.752 1.00 1.18 C ATOM 559 CG1 VAL A 39 11.717 3.221 -9.813 1.00 1.26 C ATOM 560 CG2 VAL A 39 11.764 1.566 -7.941 1.00 1.26 C ATOM 0 H VAL A 39 13.116 -0.180 -9.037 1.00 1.04 H new ATOM 0 HA VAL A 39 14.054 2.367 -10.327 1.00 1.18 H new ATOM 0 HB VAL A 39 13.002 3.323 -8.087 1.00 1.18 H new ATOM 0 HG11 VAL A 39 10.897 3.750 -9.327 1.00 1.26 H new ATOM 0 HG12 VAL A 39 12.312 3.928 -10.391 1.00 1.26 H new ATOM 0 HG13 VAL A 39 11.313 2.458 -10.478 1.00 1.26 H new ATOM 0 HG21 VAL A 39 10.944 2.093 -7.453 1.00 1.26 H new ATOM 0 HG22 VAL A 39 11.360 0.802 -8.606 1.00 1.26 H new ATOM 0 HG23 VAL A 39 12.392 1.094 -7.185 1.00 1.26 H new ATOM 570 N ASP A 40 15.918 2.542 -8.622 1.00 1.71 N ATOM 571 CA ASP A 40 17.097 2.479 -7.713 1.00 1.97 C ATOM 572 C ASP A 40 16.872 3.402 -6.514 1.00 1.61 C ATOM 573 O ASP A 40 16.657 4.589 -6.664 1.00 2.31 O ATOM 574 CB ASP A 40 18.350 2.924 -8.470 1.00 3.21 C ATOM 575 CG ASP A 40 18.967 1.722 -9.188 1.00 4.09 C ATOM 576 OD1 ASP A 40 18.493 1.391 -10.262 1.00 4.39 O ATOM 577 OD2 ASP A 40 19.902 1.152 -8.651 1.00 4.79 O ATOM 0 H ASP A 40 15.960 3.268 -9.337 1.00 1.71 H new ATOM 0 HA ASP A 40 17.228 1.455 -7.362 1.00 1.97 H new ATOM 0 HB2 ASP A 40 18.095 3.700 -9.191 1.00 3.21 H new ATOM 0 HB3 ASP A 40 19.072 3.357 -7.777 1.00 3.21 H new ATOM 582 N LEU A 41 16.917 2.866 -5.324 1.00 1.25 N ATOM 583 CA LEU A 41 16.706 3.711 -4.116 1.00 1.86 C ATOM 584 C LEU A 41 18.008 3.781 -3.312 1.00 1.67 C ATOM 585 O LEU A 41 18.280 2.933 -2.485 1.00 1.20 O ATOM 586 CB LEU A 41 15.605 3.094 -3.251 1.00 2.45 C ATOM 587 CG LEU A 41 14.237 3.460 -3.829 1.00 2.88 C ATOM 588 CD1 LEU A 41 14.169 3.030 -5.296 1.00 2.65 C ATOM 589 CD2 LEU A 41 13.142 2.742 -3.039 1.00 3.54 C ATOM 0 H LEU A 41 17.091 1.878 -5.137 1.00 1.25 H new ATOM 0 HA LEU A 41 16.411 4.715 -4.419 1.00 1.86 H new ATOM 0 HB2 LEU A 41 15.719 2.011 -3.217 1.00 2.45 H new ATOM 0 HB3 LEU A 41 15.687 3.456 -2.226 1.00 2.45 H new ATOM 0 HG LEU A 41 14.091 4.538 -3.759 1.00 2.88 H new ATOM 0 HD11 LEU A 41 13.194 3.291 -5.707 1.00 2.65 H new ATOM 0 HD12 LEU A 41 14.949 3.540 -5.861 1.00 2.65 H new ATOM 0 HD13 LEU A 41 14.315 1.952 -5.366 1.00 2.65 H new ATOM 0 HD21 LEU A 41 12.167 3.002 -3.450 1.00 3.54 H new ATOM 0 HD22 LEU A 41 13.290 1.664 -3.109 1.00 3.54 H new ATOM 0 HD23 LEU A 41 13.188 3.047 -1.994 1.00 3.54 H new ATOM 601 N PRO A 42 18.807 4.788 -3.564 1.00 2.30 N ATOM 602 CA PRO A 42 20.110 4.987 -2.865 1.00 2.32 C ATOM 603 C PRO A 42 19.981 4.898 -1.342 1.00 1.85 C ATOM 604 O PRO A 42 20.636 4.099 -0.702 1.00 2.18 O ATOM 605 CB PRO A 42 20.539 6.396 -3.279 1.00 3.11 C ATOM 606 CG PRO A 42 19.845 6.660 -4.573 1.00 3.74 C ATOM 607 CD PRO A 42 18.549 5.849 -4.551 1.00 3.24 C ATOM 0 HA PRO A 42 20.828 4.213 -3.136 1.00 2.32 H new ATOM 0 HB2 PRO A 42 20.255 7.130 -2.525 1.00 3.11 H new ATOM 0 HB3 PRO A 42 21.621 6.459 -3.394 1.00 3.11 H new ATOM 0 HG2 PRO A 42 19.634 7.723 -4.689 1.00 3.74 H new ATOM 0 HG3 PRO A 42 20.471 6.366 -5.415 1.00 3.74 H new ATOM 0 HD2 PRO A 42 17.698 6.465 -4.261 1.00 3.24 H new ATOM 0 HD3 PRO A 42 18.322 5.434 -5.533 1.00 3.24 H new ATOM 615 N GLY A 43 19.145 5.710 -0.754 1.00 1.69 N ATOM 616 CA GLY A 43 18.981 5.666 0.728 1.00 1.65 C ATOM 617 C GLY A 43 19.394 7.009 1.335 1.00 1.62 C ATOM 618 O GLY A 43 20.291 7.670 0.850 1.00 2.03 O ATOM 0 H GLY A 43 18.569 6.401 -1.235 1.00 1.69 H new ATOM 0 HA2 GLY A 43 17.944 5.445 0.982 1.00 1.65 H new ATOM 0 HA3 GLY A 43 19.590 4.865 1.147 1.00 1.65 H new ATOM 622 N GLY A 44 18.751 7.415 2.396 1.00 1.61 N ATOM 623 CA GLY A 44 19.114 8.712 3.035 1.00 2.13 C ATOM 624 C GLY A 44 17.874 9.602 3.146 1.00 2.06 C ATOM 625 O GLY A 44 17.957 10.810 3.050 1.00 2.41 O ATOM 0 H GLY A 44 17.991 6.906 2.847 1.00 1.61 H new ATOM 0 HA2 GLY A 44 19.535 8.535 4.025 1.00 2.13 H new ATOM 0 HA3 GLY A 44 19.882 9.215 2.447 1.00 2.13 H new ATOM 629 N GLN A 45 16.724 9.019 3.347 1.00 1.86 N ATOM 630 CA GLN A 45 15.485 9.835 3.463 1.00 1.96 C ATOM 631 C GLN A 45 14.866 9.636 4.847 1.00 1.90 C ATOM 632 O GLN A 45 15.003 8.592 5.455 1.00 1.92 O ATOM 633 CB GLN A 45 14.490 9.392 2.392 1.00 2.10 C ATOM 634 CG GLN A 45 14.703 10.218 1.121 1.00 2.29 C ATOM 635 CD GLN A 45 13.577 9.928 0.128 1.00 2.34 C ATOM 636 OE1 GLN A 45 13.742 10.097 -1.063 1.00 2.96 O ATOM 637 NE2 GLN A 45 12.428 9.495 0.572 1.00 2.07 N ATOM 0 H GLN A 45 16.590 8.012 3.436 1.00 1.86 H new ATOM 0 HA GLN A 45 15.728 10.889 3.326 1.00 1.96 H new ATOM 0 HB2 GLN A 45 14.621 8.332 2.175 1.00 2.10 H new ATOM 0 HB3 GLN A 45 13.470 9.519 2.754 1.00 2.10 H new ATOM 0 HG2 GLN A 45 14.723 11.280 1.364 1.00 2.29 H new ATOM 0 HG3 GLN A 45 15.667 9.975 0.674 1.00 2.29 H new ATOM 0 HE21 GLN A 45 12.289 9.353 1.572 1.00 2.07 H new ATOM 0 HE22 GLN A 45 11.670 9.299 -0.082 1.00 2.07 H new ATOM 646 N GLY A 46 14.184 10.627 5.351 1.00 2.04 N ATOM 647 CA GLY A 46 13.554 10.495 6.695 1.00 2.08 C ATOM 648 C GLY A 46 12.038 10.654 6.563 1.00 2.01 C ATOM 649 O GLY A 46 11.436 11.505 7.188 1.00 2.08 O ATOM 0 H GLY A 46 14.035 11.524 4.889 1.00 2.04 H new ATOM 0 HA2 GLY A 46 13.793 9.523 7.127 1.00 2.08 H new ATOM 0 HA3 GLY A 46 13.953 11.251 7.372 1.00 2.08 H new ATOM 653 N ASN A 47 11.415 9.844 5.751 1.00 2.09 N ATOM 654 CA ASN A 47 9.940 9.950 5.576 1.00 2.14 C ATOM 655 C ASN A 47 9.450 8.805 4.684 1.00 1.80 C ATOM 656 O ASN A 47 9.541 8.874 3.474 1.00 1.63 O ATOM 657 CB ASN A 47 9.604 11.288 4.915 1.00 2.60 C ATOM 658 CG ASN A 47 10.763 11.718 4.014 1.00 2.84 C ATOM 659 OD1 ASN A 47 10.974 12.894 3.793 1.00 2.65 O ATOM 660 ND2 ASN A 47 11.530 10.806 3.479 1.00 3.61 N ATOM 0 H ASN A 47 11.865 9.113 5.201 1.00 2.09 H new ATOM 0 HA ASN A 47 9.451 9.889 6.548 1.00 2.14 H new ATOM 0 HB2 ASN A 47 8.689 11.197 4.330 1.00 2.60 H new ATOM 0 HB3 ASN A 47 9.421 12.046 5.677 1.00 2.60 H new ATOM 0 HD21 ASN A 47 12.305 11.081 2.876 1.00 3.61 H new ATOM 0 HD22 ASN A 47 11.354 9.819 3.664 1.00 3.61 H new ATOM 667 N PRO A 48 8.939 7.756 5.275 1.00 1.85 N ATOM 668 CA PRO A 48 8.432 6.575 4.519 1.00 1.74 C ATOM 669 C PRO A 48 7.546 6.975 3.336 1.00 1.36 C ATOM 670 O PRO A 48 7.366 6.220 2.402 1.00 1.19 O ATOM 671 CB PRO A 48 7.622 5.801 5.559 1.00 2.19 C ATOM 672 CG PRO A 48 8.228 6.162 6.875 1.00 2.36 C ATOM 673 CD PRO A 48 8.786 7.578 6.729 1.00 2.21 C ATOM 0 HA PRO A 48 9.245 5.996 4.080 1.00 1.74 H new ATOM 0 HB2 PRO A 48 6.568 6.077 5.522 1.00 2.19 H new ATOM 0 HB3 PRO A 48 7.677 4.727 5.381 1.00 2.19 H new ATOM 0 HG2 PRO A 48 7.482 6.120 7.669 1.00 2.36 H new ATOM 0 HG3 PRO A 48 9.018 5.460 7.143 1.00 2.36 H new ATOM 0 HD2 PRO A 48 8.108 8.319 7.152 1.00 2.21 H new ATOM 0 HD3 PRO A 48 9.739 7.686 7.246 1.00 2.21 H new ATOM 681 N TRP A 49 6.991 8.155 3.366 1.00 1.49 N ATOM 682 CA TRP A 49 6.119 8.596 2.241 1.00 1.39 C ATOM 683 C TRP A 49 6.854 9.646 1.407 1.00 1.17 C ATOM 684 O TRP A 49 6.460 10.793 1.347 1.00 1.45 O ATOM 685 CB TRP A 49 4.828 9.199 2.799 1.00 1.79 C ATOM 686 CG TRP A 49 5.161 10.269 3.790 1.00 1.85 C ATOM 687 CD1 TRP A 49 5.243 11.590 3.508 1.00 1.69 C ATOM 688 CD2 TRP A 49 5.455 10.134 5.210 1.00 2.46 C ATOM 689 NE1 TRP A 49 5.570 12.274 4.664 1.00 1.97 N ATOM 690 CE2 TRP A 49 5.711 11.421 5.741 1.00 2.36 C ATOM 691 CE3 TRP A 49 5.524 9.032 6.081 1.00 3.27 C ATOM 692 CZ2 TRP A 49 6.026 11.607 7.089 1.00 2.90 C ATOM 693 CZ3 TRP A 49 5.839 9.216 7.437 1.00 3.87 C ATOM 694 CH2 TRP A 49 6.089 10.500 7.940 1.00 3.62 C ATOM 0 H TRP A 49 7.103 8.833 4.120 1.00 1.49 H new ATOM 0 HA TRP A 49 5.876 7.738 1.614 1.00 1.39 H new ATOM 0 HB2 TRP A 49 4.229 9.614 1.989 1.00 1.79 H new ATOM 0 HB3 TRP A 49 4.228 8.423 3.274 1.00 1.79 H new ATOM 0 HD1 TRP A 49 5.080 12.037 2.538 1.00 1.69 H new ATOM 0 HE1 TRP A 49 5.692 13.285 4.715 1.00 1.97 H new ATOM 0 HE3 TRP A 49 5.333 8.038 5.705 1.00 3.27 H new ATOM 0 HZ2 TRP A 49 6.219 12.599 7.471 1.00 2.90 H new ATOM 0 HZ3 TRP A 49 5.889 8.362 8.097 1.00 3.87 H new ATOM 0 HH2 TRP A 49 6.330 10.634 8.984 1.00 3.62 H new ATOM 705 N ASP A 50 7.923 9.263 0.761 1.00 1.07 N ATOM 706 CA ASP A 50 8.680 10.242 -0.068 1.00 1.36 C ATOM 707 C ASP A 50 9.032 9.612 -1.417 1.00 1.21 C ATOM 708 O ASP A 50 9.753 10.185 -2.210 1.00 1.27 O ATOM 709 CB ASP A 50 9.967 10.641 0.660 1.00 1.73 C ATOM 710 CG ASP A 50 9.695 11.861 1.541 1.00 2.02 C ATOM 711 OD1 ASP A 50 8.650 11.891 2.171 1.00 2.38 O ATOM 712 OD2 ASP A 50 10.536 12.744 1.573 1.00 2.14 O ATOM 0 H ASP A 50 8.303 8.317 0.772 1.00 1.07 H new ATOM 0 HA ASP A 50 8.065 11.127 -0.232 1.00 1.36 H new ATOM 0 HB2 ASP A 50 10.325 9.811 1.269 1.00 1.73 H new ATOM 0 HB3 ASP A 50 10.751 10.868 -0.062 1.00 1.73 H new ATOM 717 N ALA A 51 8.533 8.436 -1.687 1.00 1.09 N ATOM 718 CA ALA A 51 8.845 7.779 -2.988 1.00 1.02 C ATOM 719 C ALA A 51 8.087 6.453 -3.092 1.00 0.89 C ATOM 720 O ALA A 51 7.744 5.843 -2.100 1.00 0.87 O ATOM 721 CB ALA A 51 10.349 7.511 -3.075 1.00 1.11 C ATOM 0 H ALA A 51 7.925 7.904 -1.065 1.00 1.09 H new ATOM 0 HA ALA A 51 8.541 8.434 -3.804 1.00 1.02 H new ATOM 0 HB1 ALA A 51 10.579 7.030 -4.026 1.00 1.11 H new ATOM 0 HB2 ALA A 51 10.891 8.454 -3.005 1.00 1.11 H new ATOM 0 HB3 ALA A 51 10.650 6.857 -2.256 1.00 1.11 H new ATOM 727 N GLY A 52 7.827 6.001 -4.289 1.00 0.86 N ATOM 728 CA GLY A 52 7.094 4.715 -4.456 1.00 0.86 C ATOM 729 C GLY A 52 6.168 4.798 -5.671 1.00 0.87 C ATOM 730 O GLY A 52 6.237 5.726 -6.453 1.00 0.94 O ATOM 0 H GLY A 52 8.091 6.467 -5.157 1.00 0.86 H new ATOM 0 HA2 GLY A 52 7.802 3.896 -4.583 1.00 0.86 H new ATOM 0 HA3 GLY A 52 6.513 4.498 -3.559 1.00 0.86 H new ATOM 734 N LEU A 53 5.300 3.837 -5.832 1.00 0.83 N ATOM 735 CA LEU A 53 4.366 3.861 -6.992 1.00 0.84 C ATOM 736 C LEU A 53 3.024 4.440 -6.543 1.00 0.79 C ATOM 737 O LEU A 53 2.651 4.339 -5.391 1.00 0.78 O ATOM 738 CB LEU A 53 4.162 2.437 -7.518 1.00 0.85 C ATOM 739 CG LEU A 53 5.519 1.807 -7.829 1.00 0.90 C ATOM 740 CD1 LEU A 53 6.326 2.746 -8.729 1.00 0.90 C ATOM 741 CD2 LEU A 53 6.282 1.573 -6.524 1.00 0.96 C ATOM 0 H LEU A 53 5.198 3.036 -5.209 1.00 0.83 H new ATOM 0 HA LEU A 53 4.784 4.479 -7.786 1.00 0.84 H new ATOM 0 HB2 LEU A 53 3.632 1.837 -6.778 1.00 0.85 H new ATOM 0 HB3 LEU A 53 3.544 2.455 -8.415 1.00 0.85 H new ATOM 0 HG LEU A 53 5.369 0.856 -8.340 1.00 0.90 H new ATOM 0 HD11 LEU A 53 7.294 2.296 -8.950 1.00 0.90 H new ATOM 0 HD12 LEU A 53 5.783 2.914 -9.659 1.00 0.90 H new ATOM 0 HD13 LEU A 53 6.477 3.698 -8.220 1.00 0.90 H new ATOM 0 HD21 LEU A 53 7.250 1.124 -6.744 1.00 0.96 H new ATOM 0 HD22 LEU A 53 6.431 2.525 -6.014 1.00 0.96 H new ATOM 0 HD23 LEU A 53 5.709 0.904 -5.882 1.00 0.96 H new ATOM 753 N VAL A 54 2.293 5.049 -7.437 1.00 0.79 N ATOM 754 CA VAL A 54 0.981 5.633 -7.041 1.00 0.78 C ATOM 755 C VAL A 54 -0.026 5.485 -8.183 1.00 0.80 C ATOM 756 O VAL A 54 0.334 5.249 -9.319 1.00 0.90 O ATOM 757 CB VAL A 54 1.164 7.117 -6.716 1.00 0.89 C ATOM 758 CG1 VAL A 54 0.054 7.578 -5.769 1.00 0.92 C ATOM 759 CG2 VAL A 54 2.524 7.328 -6.046 1.00 0.92 C ATOM 0 H VAL A 54 2.546 5.167 -8.418 1.00 0.79 H new ATOM 0 HA VAL A 54 0.606 5.106 -6.164 1.00 0.78 H new ATOM 0 HB VAL A 54 1.117 7.697 -7.638 1.00 0.89 H new ATOM 0 HG11 VAL A 54 0.187 8.635 -5.540 1.00 0.92 H new ATOM 0 HG12 VAL A 54 -0.915 7.429 -6.245 1.00 0.92 H new ATOM 0 HG13 VAL A 54 0.098 6.998 -4.847 1.00 0.92 H new ATOM 0 HG21 VAL A 54 2.655 8.385 -5.814 1.00 0.92 H new ATOM 0 HG22 VAL A 54 2.570 6.746 -5.126 1.00 0.92 H new ATOM 0 HG23 VAL A 54 3.316 7.003 -6.721 1.00 0.92 H new ATOM 769 N TYR A 55 -1.289 5.627 -7.884 1.00 0.78 N ATOM 770 CA TYR A 55 -2.330 5.502 -8.942 1.00 0.82 C ATOM 771 C TYR A 55 -3.718 5.602 -8.304 1.00 0.81 C ATOM 772 O TYR A 55 -3.918 5.217 -7.169 1.00 1.06 O ATOM 773 CB TYR A 55 -2.192 4.150 -9.646 1.00 0.83 C ATOM 774 CG TYR A 55 -3.433 3.884 -10.463 1.00 0.97 C ATOM 775 CD1 TYR A 55 -3.822 4.792 -11.456 1.00 1.54 C ATOM 776 CD2 TYR A 55 -4.196 2.734 -10.227 1.00 1.59 C ATOM 777 CE1 TYR A 55 -4.976 4.551 -12.210 1.00 1.71 C ATOM 778 CE2 TYR A 55 -5.351 2.494 -10.981 1.00 1.70 C ATOM 779 CZ TYR A 55 -5.741 3.403 -11.972 1.00 1.37 C ATOM 780 OH TYR A 55 -6.879 3.167 -12.717 1.00 1.61 O ATOM 0 H TYR A 55 -1.645 5.825 -6.949 1.00 0.78 H new ATOM 0 HA TYR A 55 -2.202 6.303 -9.670 1.00 0.82 H new ATOM 0 HB2 TYR A 55 -1.312 4.150 -10.289 1.00 0.83 H new ATOM 0 HB3 TYR A 55 -2.049 3.357 -8.911 1.00 0.83 H new ATOM 0 HD1 TYR A 55 -3.232 5.678 -11.640 1.00 1.54 H new ATOM 0 HD2 TYR A 55 -3.894 2.032 -9.464 1.00 1.59 H new ATOM 0 HE1 TYR A 55 -5.277 5.251 -12.976 1.00 1.71 H new ATOM 0 HE2 TYR A 55 -5.941 1.608 -10.798 1.00 1.70 H new ATOM 0 HH TYR A 55 -6.888 3.759 -13.498 1.00 1.61 H new ATOM 790 N ASN A 56 -4.678 6.118 -9.022 1.00 0.93 N ATOM 791 CA ASN A 56 -6.049 6.244 -8.456 1.00 1.01 C ATOM 792 C ASN A 56 -6.931 5.119 -8.998 1.00 1.28 C ATOM 793 O ASN A 56 -6.510 4.325 -9.816 1.00 2.04 O ATOM 794 CB ASN A 56 -6.639 7.597 -8.859 1.00 1.81 C ATOM 795 CG ASN A 56 -6.292 8.641 -7.797 1.00 2.22 C ATOM 796 OD1 ASN A 56 -7.143 9.397 -7.370 1.00 2.78 O ATOM 797 ND2 ASN A 56 -5.069 8.718 -7.349 1.00 2.47 N ATOM 0 H ASN A 56 -4.571 6.458 -9.978 1.00 0.93 H new ATOM 0 HA ASN A 56 -6.004 6.175 -7.369 1.00 1.01 H new ATOM 0 HB2 ASN A 56 -6.245 7.903 -9.828 1.00 1.81 H new ATOM 0 HB3 ASN A 56 -7.721 7.517 -8.966 1.00 1.81 H new ATOM 0 HD21 ASN A 56 -4.828 9.412 -6.641 1.00 2.47 H new ATOM 0 HD22 ASN A 56 -4.354 8.084 -7.706 1.00 2.47 H new ATOM 804 N GLY A 57 -8.154 5.044 -8.550 1.00 1.18 N ATOM 805 CA GLY A 57 -9.064 3.971 -9.039 1.00 1.77 C ATOM 806 C GLY A 57 -9.038 2.793 -8.063 1.00 1.64 C ATOM 807 O GLY A 57 -8.415 1.781 -8.313 1.00 2.48 O ATOM 0 H GLY A 57 -8.563 5.680 -7.866 1.00 1.18 H new ATOM 0 HA2 GLY A 57 -10.079 4.356 -9.133 1.00 1.77 H new ATOM 0 HA3 GLY A 57 -8.755 3.642 -10.031 1.00 1.77 H new ATOM 811 N VAL A 58 -9.710 2.917 -6.951 1.00 1.34 N ATOM 812 CA VAL A 58 -9.723 1.804 -5.960 1.00 1.99 C ATOM 813 C VAL A 58 -10.968 1.920 -5.078 1.00 1.78 C ATOM 814 O VAL A 58 -10.883 2.238 -3.908 1.00 1.95 O ATOM 815 CB VAL A 58 -8.470 1.885 -5.086 1.00 2.93 C ATOM 816 CG1 VAL A 58 -7.308 1.183 -5.792 1.00 3.79 C ATOM 817 CG2 VAL A 58 -8.108 3.353 -4.851 1.00 2.88 C ATOM 0 H VAL A 58 -10.250 3.741 -6.686 1.00 1.34 H new ATOM 0 HA VAL A 58 -9.738 0.850 -6.486 1.00 1.99 H new ATOM 0 HB VAL A 58 -8.662 1.398 -4.130 1.00 2.93 H new ATOM 0 HG11 VAL A 58 -6.415 1.241 -5.169 1.00 3.79 H new ATOM 0 HG12 VAL A 58 -7.564 0.137 -5.963 1.00 3.79 H new ATOM 0 HG13 VAL A 58 -7.115 1.670 -6.748 1.00 3.79 H new ATOM 0 HG21 VAL A 58 -7.215 3.412 -4.228 1.00 2.88 H new ATOM 0 HG22 VAL A 58 -7.916 3.838 -5.808 1.00 2.88 H new ATOM 0 HG23 VAL A 58 -8.935 3.856 -4.349 1.00 2.88 H new ATOM 827 N PRO A 59 -12.116 1.663 -5.642 1.00 1.85 N ATOM 828 CA PRO A 59 -13.411 1.735 -4.907 1.00 1.84 C ATOM 829 C PRO A 59 -13.367 0.970 -3.582 1.00 1.90 C ATOM 830 O PRO A 59 -12.933 -0.164 -3.523 1.00 2.05 O ATOM 831 CB PRO A 59 -14.413 1.086 -5.865 1.00 2.07 C ATOM 832 CG PRO A 59 -13.821 1.239 -7.227 1.00 2.39 C ATOM 833 CD PRO A 59 -12.302 1.274 -7.049 1.00 2.40 C ATOM 0 HA PRO A 59 -13.667 2.760 -4.640 1.00 1.84 H new ATOM 0 HB2 PRO A 59 -14.566 0.035 -5.620 1.00 2.07 H new ATOM 0 HB3 PRO A 59 -15.386 1.573 -5.803 1.00 2.07 H new ATOM 0 HG2 PRO A 59 -14.115 0.411 -7.871 1.00 2.39 H new ATOM 0 HG3 PRO A 59 -14.176 2.154 -7.702 1.00 2.39 H new ATOM 0 HD2 PRO A 59 -11.854 0.303 -7.257 1.00 2.40 H new ATOM 0 HD3 PRO A 59 -11.837 1.991 -7.726 1.00 2.40 H new ATOM 841 N VAL A 60 -13.811 1.580 -2.518 1.00 2.10 N ATOM 842 CA VAL A 60 -13.793 0.884 -1.200 1.00 2.46 C ATOM 843 C VAL A 60 -15.213 0.826 -0.633 1.00 2.53 C ATOM 844 O VAL A 60 -15.804 1.836 -0.307 1.00 2.50 O ATOM 845 CB VAL A 60 -12.889 1.650 -0.232 1.00 2.79 C ATOM 846 CG1 VAL A 60 -13.029 1.063 1.173 1.00 3.08 C ATOM 847 CG2 VAL A 60 -11.434 1.529 -0.692 1.00 2.93 C ATOM 0 H VAL A 60 -14.185 2.529 -2.504 1.00 2.10 H new ATOM 0 HA VAL A 60 -13.412 -0.129 -1.330 1.00 2.46 H new ATOM 0 HB VAL A 60 -13.181 2.700 -0.216 1.00 2.79 H new ATOM 0 HG11 VAL A 60 -12.385 1.610 1.862 1.00 3.08 H new ATOM 0 HG12 VAL A 60 -14.065 1.148 1.501 1.00 3.08 H new ATOM 0 HG13 VAL A 60 -12.737 0.013 1.159 1.00 3.08 H new ATOM 0 HG21 VAL A 60 -10.788 2.074 -0.004 1.00 2.93 H new ATOM 0 HG22 VAL A 60 -11.143 0.479 -0.707 1.00 2.93 H new ATOM 0 HG23 VAL A 60 -11.333 1.948 -1.693 1.00 2.93 H new ATOM 857 N GLY A 61 -15.766 -0.350 -0.512 1.00 2.83 N ATOM 858 CA GLY A 61 -17.146 -0.472 0.034 1.00 3.05 C ATOM 859 C GLY A 61 -17.111 -1.271 1.338 1.00 2.72 C ATOM 860 O GLY A 61 -16.983 -2.478 1.335 1.00 2.61 O ATOM 0 H GLY A 61 -15.321 -1.231 -0.768 1.00 2.83 H new ATOM 0 HA2 GLY A 61 -17.566 0.518 0.213 1.00 3.05 H new ATOM 0 HA3 GLY A 61 -17.793 -0.967 -0.691 1.00 3.05 H new ATOM 864 N GLU A 62 -17.221 -0.604 2.455 1.00 3.03 N ATOM 865 CA GLU A 62 -17.192 -1.325 3.759 1.00 2.96 C ATOM 866 C GLU A 62 -18.130 -2.532 3.697 1.00 2.29 C ATOM 867 O GLU A 62 -19.218 -2.459 3.160 1.00 2.02 O ATOM 868 CB GLU A 62 -17.648 -0.383 4.875 1.00 4.03 C ATOM 869 CG GLU A 62 -17.878 -1.184 6.158 1.00 4.32 C ATOM 870 CD GLU A 62 -19.380 -1.346 6.397 1.00 5.32 C ATOM 871 OE1 GLU A 62 -20.106 -0.399 6.141 1.00 5.54 O ATOM 872 OE2 GLU A 62 -19.779 -2.413 6.832 1.00 6.05 O ATOM 0 H GLU A 62 -17.330 0.408 2.521 1.00 3.03 H new ATOM 0 HA GLU A 62 -16.176 -1.664 3.962 1.00 2.96 H new ATOM 0 HB2 GLU A 62 -16.896 0.387 5.045 1.00 4.03 H new ATOM 0 HB3 GLU A 62 -18.566 0.127 4.583 1.00 4.03 H new ATOM 0 HG2 GLU A 62 -17.404 -2.162 6.078 1.00 4.32 H new ATOM 0 HG3 GLU A 62 -17.417 -0.675 7.005 1.00 4.32 H new ATOM 879 N GLY A 63 -17.720 -3.644 4.246 1.00 2.54 N ATOM 880 CA GLY A 63 -18.590 -4.853 4.221 1.00 2.46 C ATOM 881 C GLY A 63 -17.989 -5.901 3.283 1.00 2.21 C ATOM 882 O GLY A 63 -18.048 -7.086 3.541 1.00 2.29 O ATOM 0 H GLY A 63 -16.820 -3.766 4.710 1.00 2.54 H new ATOM 0 HA2 GLY A 63 -18.687 -5.264 5.226 1.00 2.46 H new ATOM 0 HA3 GLY A 63 -19.592 -4.585 3.888 1.00 2.46 H new ATOM 886 N GLU A 64 -17.411 -5.474 2.192 1.00 2.23 N ATOM 887 CA GLU A 64 -16.810 -6.446 1.238 1.00 2.27 C ATOM 888 C GLU A 64 -15.296 -6.504 1.451 1.00 2.19 C ATOM 889 O GLU A 64 -14.724 -5.689 2.146 1.00 2.81 O ATOM 890 CB GLU A 64 -17.107 -5.998 -0.193 1.00 2.70 C ATOM 891 CG GLU A 64 -18.424 -6.619 -0.662 1.00 3.18 C ATOM 892 CD GLU A 64 -19.161 -5.632 -1.569 1.00 3.59 C ATOM 893 OE1 GLU A 64 -18.685 -5.401 -2.669 1.00 4.03 O ATOM 894 OE2 GLU A 64 -20.188 -5.125 -1.150 1.00 3.92 O ATOM 0 H GLU A 64 -17.330 -4.494 1.922 1.00 2.23 H new ATOM 0 HA GLU A 64 -17.236 -7.435 1.408 1.00 2.27 H new ATOM 0 HB2 GLU A 64 -17.169 -4.911 -0.239 1.00 2.70 H new ATOM 0 HB3 GLU A 64 -16.295 -6.299 -0.855 1.00 2.70 H new ATOM 0 HG2 GLU A 64 -18.229 -7.547 -1.199 1.00 3.18 H new ATOM 0 HG3 GLU A 64 -19.045 -6.873 0.197 1.00 3.18 H new ATOM 901 N SER A 65 -14.642 -7.464 0.854 1.00 1.71 N ATOM 902 CA SER A 65 -13.165 -7.576 1.019 1.00 1.83 C ATOM 903 C SER A 65 -12.486 -7.337 -0.331 1.00 1.49 C ATOM 904 O SER A 65 -12.954 -7.783 -1.359 1.00 1.87 O ATOM 905 CB SER A 65 -12.812 -8.975 1.526 1.00 2.37 C ATOM 906 OG SER A 65 -13.206 -9.094 2.886 1.00 2.91 O ATOM 0 H SER A 65 -15.067 -8.175 0.259 1.00 1.71 H new ATOM 0 HA SER A 65 -12.821 -6.833 1.738 1.00 1.83 H new ATOM 0 HB2 SER A 65 -13.314 -9.731 0.922 1.00 2.37 H new ATOM 0 HB3 SER A 65 -11.741 -9.150 1.429 1.00 2.37 H new ATOM 0 HG SER A 65 -12.843 -9.924 3.260 1.00 2.91 H new ATOM 912 N TYR A 66 -11.387 -6.633 -0.340 1.00 1.14 N ATOM 913 CA TYR A 66 -10.686 -6.366 -1.625 1.00 1.22 C ATOM 914 C TYR A 66 -9.442 -7.251 -1.723 1.00 1.63 C ATOM 915 O TYR A 66 -9.166 -8.048 -0.849 1.00 2.01 O ATOM 916 CB TYR A 66 -10.269 -4.897 -1.678 1.00 1.29 C ATOM 917 CG TYR A 66 -11.414 -4.065 -2.204 1.00 1.20 C ATOM 918 CD1 TYR A 66 -12.444 -3.670 -1.341 1.00 1.47 C ATOM 919 CD2 TYR A 66 -11.447 -3.690 -3.551 1.00 1.79 C ATOM 920 CE1 TYR A 66 -13.506 -2.899 -1.827 1.00 1.86 C ATOM 921 CE2 TYR A 66 -12.510 -2.919 -4.038 1.00 1.98 C ATOM 922 CZ TYR A 66 -13.540 -2.524 -3.175 1.00 1.87 C ATOM 923 OH TYR A 66 -14.587 -1.763 -3.655 1.00 2.38 O ATOM 0 H TYR A 66 -10.945 -6.232 0.487 1.00 1.14 H new ATOM 0 HA TYR A 66 -11.355 -6.587 -2.457 1.00 1.22 H new ATOM 0 HB2 TYR A 66 -9.983 -4.553 -0.684 1.00 1.29 H new ATOM 0 HB3 TYR A 66 -9.396 -4.779 -2.319 1.00 1.29 H new ATOM 0 HD1 TYR A 66 -12.419 -3.960 -0.301 1.00 1.47 H new ATOM 0 HD2 TYR A 66 -10.652 -3.995 -4.216 1.00 1.79 H new ATOM 0 HE1 TYR A 66 -14.300 -2.593 -1.162 1.00 1.86 H new ATOM 0 HE2 TYR A 66 -12.535 -2.629 -5.078 1.00 1.98 H new ATOM 0 HH TYR A 66 -14.237 -1.052 -4.232 1.00 2.38 H new ATOM 933 N VAL A 67 -8.691 -7.115 -2.782 1.00 1.69 N ATOM 934 CA VAL A 67 -7.465 -7.949 -2.939 1.00 2.07 C ATOM 935 C VAL A 67 -6.455 -7.217 -3.826 1.00 2.20 C ATOM 936 O VAL A 67 -6.734 -6.887 -4.962 1.00 2.22 O ATOM 937 CB VAL A 67 -7.834 -9.285 -3.589 1.00 2.37 C ATOM 938 CG1 VAL A 67 -6.890 -10.376 -3.082 1.00 2.61 C ATOM 939 CG2 VAL A 67 -9.275 -9.652 -3.225 1.00 2.54 C ATOM 0 H VAL A 67 -8.873 -6.463 -3.545 1.00 1.69 H new ATOM 0 HA VAL A 67 -7.025 -8.129 -1.958 1.00 2.07 H new ATOM 0 HB VAL A 67 -7.744 -9.197 -4.672 1.00 2.37 H new ATOM 0 HG11 VAL A 67 -7.152 -11.328 -3.544 1.00 2.61 H new ATOM 0 HG12 VAL A 67 -5.863 -10.118 -3.341 1.00 2.61 H new ATOM 0 HG13 VAL A 67 -6.981 -10.461 -1.999 1.00 2.61 H new ATOM 0 HG21 VAL A 67 -9.536 -10.603 -3.688 1.00 2.54 H new ATOM 0 HG22 VAL A 67 -9.366 -9.739 -2.142 1.00 2.54 H new ATOM 0 HG23 VAL A 67 -9.950 -8.876 -3.585 1.00 2.54 H new ATOM 949 N LEU A 68 -5.280 -6.967 -3.316 1.00 2.36 N ATOM 950 CA LEU A 68 -4.247 -6.262 -4.129 1.00 2.59 C ATOM 951 C LEU A 68 -3.110 -7.234 -4.452 1.00 2.17 C ATOM 952 O LEU A 68 -2.416 -7.701 -3.570 1.00 2.07 O ATOM 953 CB LEU A 68 -3.694 -5.079 -3.329 1.00 3.01 C ATOM 954 CG LEU A 68 -3.203 -3.990 -4.286 1.00 3.40 C ATOM 955 CD1 LEU A 68 -4.336 -2.998 -4.554 1.00 3.46 C ATOM 956 CD2 LEU A 68 -2.022 -3.254 -3.650 1.00 3.61 C ATOM 0 H LEU A 68 -4.990 -7.220 -2.371 1.00 2.36 H new ATOM 0 HA LEU A 68 -4.692 -5.899 -5.055 1.00 2.59 H new ATOM 0 HB2 LEU A 68 -4.467 -4.678 -2.674 1.00 3.01 H new ATOM 0 HB3 LEU A 68 -2.875 -5.411 -2.690 1.00 3.01 H new ATOM 0 HG LEU A 68 -2.889 -4.444 -5.226 1.00 3.40 H new ATOM 0 HD11 LEU A 68 -3.987 -2.222 -5.235 1.00 3.46 H new ATOM 0 HD12 LEU A 68 -5.180 -3.522 -5.003 1.00 3.46 H new ATOM 0 HD13 LEU A 68 -4.650 -2.542 -3.615 1.00 3.46 H new ATOM 0 HD21 LEU A 68 -1.669 -2.477 -4.329 1.00 3.61 H new ATOM 0 HD22 LEU A 68 -2.339 -2.799 -2.712 1.00 3.61 H new ATOM 0 HD23 LEU A 68 -1.215 -3.960 -3.456 1.00 3.61 H new ATOM 968 N SER A 69 -2.906 -7.542 -5.704 1.00 1.98 N ATOM 969 CA SER A 69 -1.808 -8.482 -6.064 1.00 1.66 C ATOM 970 C SER A 69 -0.698 -7.709 -6.778 1.00 1.53 C ATOM 971 O SER A 69 -0.672 -7.612 -7.989 1.00 1.60 O ATOM 972 CB SER A 69 -2.350 -9.588 -6.966 1.00 1.82 C ATOM 973 OG SER A 69 -3.430 -9.081 -7.738 1.00 2.27 O ATOM 0 H SER A 69 -3.450 -7.185 -6.490 1.00 1.98 H new ATOM 0 HA SER A 69 -1.402 -8.938 -5.161 1.00 1.66 H new ATOM 0 HB2 SER A 69 -1.561 -9.957 -7.622 1.00 1.82 H new ATOM 0 HB3 SER A 69 -2.684 -10.433 -6.364 1.00 1.82 H new ATOM 0 HG SER A 69 -3.170 -8.227 -8.143 1.00 2.27 H new ATOM 979 N PHE A 70 0.210 -7.139 -6.028 1.00 1.38 N ATOM 980 CA PHE A 70 1.309 -6.352 -6.653 1.00 1.30 C ATOM 981 C PHE A 70 2.562 -7.207 -6.850 1.00 1.23 C ATOM 982 O PHE A 70 2.947 -7.973 -5.990 1.00 1.40 O ATOM 983 CB PHE A 70 1.643 -5.133 -5.786 1.00 1.34 C ATOM 984 CG PHE A 70 1.838 -5.550 -4.348 1.00 1.31 C ATOM 985 CD1 PHE A 70 0.733 -5.889 -3.558 1.00 1.96 C ATOM 986 CD2 PHE A 70 3.126 -5.581 -3.800 1.00 1.23 C ATOM 987 CE1 PHE A 70 0.917 -6.264 -2.221 1.00 2.01 C ATOM 988 CE2 PHE A 70 3.309 -5.953 -2.463 1.00 1.35 C ATOM 989 CZ PHE A 70 2.204 -6.294 -1.674 1.00 1.48 C ATOM 0 H PHE A 70 0.236 -7.186 -5.009 1.00 1.38 H new ATOM 0 HA PHE A 70 0.967 -6.018 -7.633 1.00 1.30 H new ATOM 0 HB2 PHE A 70 2.547 -4.651 -6.158 1.00 1.34 H new ATOM 0 HB3 PHE A 70 0.840 -4.399 -5.853 1.00 1.34 H new ATOM 0 HD1 PHE A 70 -0.261 -5.861 -3.979 1.00 1.96 H new ATOM 0 HD2 PHE A 70 3.978 -5.318 -4.409 1.00 1.23 H new ATOM 0 HE1 PHE A 70 0.065 -6.530 -1.613 1.00 2.01 H new ATOM 0 HE2 PHE A 70 4.303 -5.977 -2.040 1.00 1.35 H new ATOM 0 HZ PHE A 70 2.345 -6.580 -0.642 1.00 1.48 H new ATOM 999 N THR A 71 3.220 -7.050 -7.968 1.00 1.13 N ATOM 1000 CA THR A 71 4.470 -7.820 -8.220 1.00 1.16 C ATOM 1001 C THR A 71 5.664 -6.927 -7.890 1.00 1.11 C ATOM 1002 O THR A 71 5.844 -5.878 -8.475 1.00 1.39 O ATOM 1003 CB THR A 71 4.544 -8.226 -9.697 1.00 1.26 C ATOM 1004 OG1 THR A 71 3.864 -7.257 -10.481 1.00 1.15 O ATOM 1005 CG2 THR A 71 3.898 -9.598 -9.917 1.00 1.80 C ATOM 0 H THR A 71 2.943 -6.419 -8.720 1.00 1.13 H new ATOM 0 HA THR A 71 4.480 -8.717 -7.601 1.00 1.16 H new ATOM 0 HB THR A 71 5.592 -8.283 -9.992 1.00 1.26 H new ATOM 0 HG1 THR A 71 3.961 -6.374 -10.067 1.00 1.15 H new ATOM 0 HG21 THR A 71 3.962 -9.865 -10.972 1.00 1.80 H new ATOM 0 HG22 THR A 71 4.420 -10.346 -9.321 1.00 1.80 H new ATOM 0 HG23 THR A 71 2.851 -9.560 -9.615 1.00 1.80 H new ATOM 1013 N ALA A 72 6.481 -7.325 -6.955 1.00 0.96 N ATOM 1014 CA ALA A 72 7.654 -6.480 -6.602 1.00 0.87 C ATOM 1015 C ALA A 72 8.573 -7.235 -5.643 1.00 0.81 C ATOM 1016 O ALA A 72 8.131 -7.837 -4.684 1.00 0.85 O ATOM 1017 CB ALA A 72 7.170 -5.192 -5.932 1.00 0.81 C ATOM 0 H ALA A 72 6.388 -8.191 -6.424 1.00 0.96 H new ATOM 0 HA ALA A 72 8.206 -6.238 -7.510 1.00 0.87 H new ATOM 0 HB1 ALA A 72 8.028 -4.572 -5.673 1.00 0.81 H new ATOM 0 HB2 ALA A 72 6.522 -4.646 -6.618 1.00 0.81 H new ATOM 0 HB3 ALA A 72 6.614 -5.439 -5.027 1.00 0.81 H new ATOM 1023 N SER A 73 9.853 -7.199 -5.891 1.00 0.75 N ATOM 1024 CA SER A 73 10.807 -7.907 -4.992 1.00 0.72 C ATOM 1025 C SER A 73 11.852 -6.912 -4.483 1.00 0.64 C ATOM 1026 O SER A 73 12.548 -6.280 -5.252 1.00 0.84 O ATOM 1027 CB SER A 73 11.503 -9.028 -5.764 1.00 0.82 C ATOM 1028 OG SER A 73 12.468 -8.465 -6.642 1.00 0.93 O ATOM 0 H SER A 73 10.280 -6.710 -6.678 1.00 0.75 H new ATOM 0 HA SER A 73 10.265 -8.334 -4.148 1.00 0.72 H new ATOM 0 HB2 SER A 73 11.984 -9.718 -5.071 1.00 0.82 H new ATOM 0 HB3 SER A 73 10.771 -9.604 -6.331 1.00 0.82 H new ATOM 0 HG SER A 73 12.426 -7.487 -6.591 1.00 0.93 H new ATOM 1034 N ALA A 74 11.965 -6.768 -3.191 1.00 0.66 N ATOM 1035 CA ALA A 74 12.963 -5.814 -2.633 1.00 0.59 C ATOM 1036 C ALA A 74 14.279 -6.550 -2.373 1.00 0.61 C ATOM 1037 O ALA A 74 14.293 -7.648 -1.855 1.00 0.67 O ATOM 1038 CB ALA A 74 12.434 -5.233 -1.320 1.00 0.59 C ATOM 0 H ALA A 74 11.409 -7.270 -2.498 1.00 0.66 H new ATOM 0 HA ALA A 74 13.133 -5.006 -3.345 1.00 0.59 H new ATOM 0 HB1 ALA A 74 13.164 -4.535 -0.911 1.00 0.59 H new ATOM 0 HB2 ALA A 74 11.496 -4.710 -1.505 1.00 0.59 H new ATOM 0 HB3 ALA A 74 12.265 -6.040 -0.607 1.00 0.59 H new ATOM 1044 N THR A 75 15.383 -5.956 -2.735 1.00 0.62 N ATOM 1045 CA THR A 75 16.694 -6.621 -2.517 1.00 0.72 C ATOM 1046 C THR A 75 17.663 -5.636 -1.845 1.00 0.72 C ATOM 1047 O THR A 75 18.001 -4.620 -2.420 1.00 0.74 O ATOM 1048 CB THR A 75 17.263 -7.037 -3.873 1.00 0.85 C ATOM 1049 OG1 THR A 75 16.792 -6.143 -4.871 1.00 0.86 O ATOM 1050 CG2 THR A 75 16.810 -8.459 -4.207 1.00 0.97 C ATOM 0 H THR A 75 15.431 -5.036 -3.173 1.00 0.62 H new ATOM 0 HA THR A 75 16.565 -7.495 -1.878 1.00 0.72 H new ATOM 0 HB THR A 75 18.352 -7.006 -3.836 1.00 0.85 H new ATOM 0 HG1 THR A 75 17.205 -6.366 -5.731 1.00 0.86 H new ATOM 0 HG21 THR A 75 17.217 -8.753 -5.174 1.00 0.97 H new ATOM 0 HG22 THR A 75 17.168 -9.145 -3.439 1.00 0.97 H new ATOM 0 HG23 THR A 75 15.721 -8.494 -4.246 1.00 0.97 H new ATOM 1058 N PRO A 76 18.120 -5.917 -0.646 1.00 0.77 N ATOM 1059 CA PRO A 76 17.756 -7.144 0.129 1.00 0.83 C ATOM 1060 C PRO A 76 16.280 -7.155 0.535 1.00 0.73 C ATOM 1061 O PRO A 76 15.416 -6.724 -0.201 1.00 0.68 O ATOM 1062 CB PRO A 76 18.638 -7.074 1.384 1.00 0.97 C ATOM 1063 CG PRO A 76 19.679 -6.042 1.102 1.00 1.02 C ATOM 1064 CD PRO A 76 19.061 -5.073 0.102 1.00 0.85 C ATOM 0 HA PRO A 76 17.910 -8.046 -0.464 1.00 0.83 H new ATOM 0 HB2 PRO A 76 18.048 -6.803 2.260 1.00 0.97 H new ATOM 0 HB3 PRO A 76 19.095 -8.041 1.594 1.00 0.97 H new ATOM 0 HG2 PRO A 76 19.971 -5.524 2.016 1.00 1.02 H new ATOM 0 HG3 PRO A 76 20.580 -6.500 0.694 1.00 1.02 H new ATOM 0 HD2 PRO A 76 18.553 -4.248 0.602 1.00 0.85 H new ATOM 0 HD3 PRO A 76 19.815 -4.634 -0.551 1.00 0.85 H new ATOM 1072 N ASP A 77 15.990 -7.638 1.709 1.00 0.81 N ATOM 1073 CA ASP A 77 14.574 -7.675 2.174 1.00 0.76 C ATOM 1074 C ASP A 77 14.351 -6.572 3.210 1.00 0.72 C ATOM 1075 O ASP A 77 15.263 -6.168 3.904 1.00 0.78 O ATOM 1076 CB ASP A 77 14.280 -9.036 2.808 1.00 0.91 C ATOM 1077 CG ASP A 77 15.132 -10.111 2.130 1.00 1.09 C ATOM 1078 OD1 ASP A 77 14.859 -10.416 0.980 1.00 1.30 O ATOM 1079 OD2 ASP A 77 16.042 -10.610 2.771 1.00 1.75 O ATOM 0 H ASP A 77 16.673 -8.010 2.369 1.00 0.81 H new ATOM 0 HA ASP A 77 13.908 -7.519 1.325 1.00 0.76 H new ATOM 0 HB2 ASP A 77 14.496 -9.006 3.876 1.00 0.91 H new ATOM 0 HB3 ASP A 77 13.222 -9.276 2.704 1.00 0.91 H new ATOM 1084 N MET A 78 13.146 -6.081 3.319 1.00 0.75 N ATOM 1085 CA MET A 78 12.864 -5.002 4.310 1.00 0.87 C ATOM 1086 C MET A 78 11.367 -4.679 4.289 1.00 0.89 C ATOM 1087 O MET A 78 10.686 -4.927 3.313 1.00 0.93 O ATOM 1088 CB MET A 78 13.661 -3.747 3.938 1.00 1.01 C ATOM 1089 CG MET A 78 14.817 -3.542 4.923 1.00 1.19 C ATOM 1090 SD MET A 78 16.197 -2.742 4.069 1.00 1.83 S ATOM 1091 CE MET A 78 17.039 -4.252 3.535 1.00 2.16 C ATOM 0 H MET A 78 12.344 -6.380 2.764 1.00 0.75 H new ATOM 0 HA MET A 78 13.155 -5.334 5.307 1.00 0.87 H new ATOM 0 HB2 MET A 78 14.050 -3.842 2.924 1.00 1.01 H new ATOM 0 HB3 MET A 78 13.006 -2.876 3.948 1.00 1.01 H new ATOM 0 HG2 MET A 78 14.490 -2.929 5.763 1.00 1.19 H new ATOM 0 HG3 MET A 78 15.135 -4.501 5.333 1.00 1.19 H new ATOM 0 HE1 MET A 78 18.035 -4.003 3.168 1.00 2.16 H new ATOM 0 HE2 MET A 78 17.124 -4.939 4.377 1.00 2.16 H new ATOM 0 HE3 MET A 78 16.466 -4.725 2.737 1.00 2.16 H new ATOM 1101 N PRO A 79 10.861 -4.127 5.360 1.00 0.96 N ATOM 1102 CA PRO A 79 9.421 -3.759 5.474 1.00 1.04 C ATOM 1103 C PRO A 79 9.084 -2.477 4.708 1.00 1.13 C ATOM 1104 O PRO A 79 9.605 -1.417 4.994 1.00 1.28 O ATOM 1105 CB PRO A 79 9.224 -3.550 6.976 1.00 1.12 C ATOM 1106 CG PRO A 79 10.563 -3.146 7.496 1.00 1.38 C ATOM 1107 CD PRO A 79 11.607 -3.795 6.584 1.00 1.11 C ATOM 0 HA PRO A 79 8.772 -4.524 5.048 1.00 1.04 H new ATOM 0 HB2 PRO A 79 8.477 -2.780 7.171 1.00 1.12 H new ATOM 0 HB3 PRO A 79 8.874 -4.463 7.458 1.00 1.12 H new ATOM 0 HG2 PRO A 79 10.668 -2.061 7.492 1.00 1.38 H new ATOM 0 HG3 PRO A 79 10.693 -3.475 8.527 1.00 1.38 H new ATOM 0 HD2 PRO A 79 12.432 -3.114 6.375 1.00 1.11 H new ATOM 0 HD3 PRO A 79 12.037 -4.686 7.042 1.00 1.11 H new ATOM 1115 N VAL A 80 8.212 -2.564 3.741 1.00 1.13 N ATOM 1116 CA VAL A 80 7.839 -1.349 2.964 1.00 1.31 C ATOM 1117 C VAL A 80 6.516 -0.795 3.497 1.00 1.45 C ATOM 1118 O VAL A 80 5.901 -1.372 4.372 1.00 1.98 O ATOM 1119 CB VAL A 80 7.689 -1.711 1.484 1.00 1.56 C ATOM 1120 CG1 VAL A 80 8.906 -2.518 1.029 1.00 2.01 C ATOM 1121 CG2 VAL A 80 6.423 -2.549 1.287 1.00 1.79 C ATOM 0 H VAL A 80 7.742 -3.423 3.456 1.00 1.13 H new ATOM 0 HA VAL A 80 8.618 -0.594 3.070 1.00 1.31 H new ATOM 0 HB VAL A 80 7.616 -0.797 0.895 1.00 1.56 H new ATOM 0 HG11 VAL A 80 8.799 -2.775 -0.025 1.00 2.01 H new ATOM 0 HG12 VAL A 80 9.809 -1.924 1.167 1.00 2.01 H new ATOM 0 HG13 VAL A 80 8.979 -3.431 1.620 1.00 2.01 H new ATOM 0 HG21 VAL A 80 6.317 -2.806 0.233 1.00 1.79 H new ATOM 0 HG22 VAL A 80 6.496 -3.462 1.878 1.00 1.79 H new ATOM 0 HG23 VAL A 80 5.554 -1.976 1.610 1.00 1.79 H new ATOM 1131 N ARG A 81 6.075 0.320 2.983 1.00 1.48 N ATOM 1132 CA ARG A 81 4.793 0.907 3.469 1.00 1.84 C ATOM 1133 C ARG A 81 3.824 1.073 2.297 1.00 2.04 C ATOM 1134 O ARG A 81 4.222 1.341 1.181 1.00 2.57 O ATOM 1135 CB ARG A 81 5.067 2.272 4.102 1.00 2.24 C ATOM 1136 CG ARG A 81 3.740 2.942 4.465 1.00 2.95 C ATOM 1137 CD ARG A 81 3.934 3.818 5.705 1.00 4.04 C ATOM 1138 NE ARG A 81 3.857 2.972 6.928 1.00 4.81 N ATOM 1139 CZ ARG A 81 4.283 3.438 8.071 1.00 5.14 C ATOM 1140 NH1 ARG A 81 4.775 4.644 8.141 1.00 4.94 N ATOM 1141 NH2 ARG A 81 4.216 2.696 9.143 1.00 6.01 N ATOM 0 H ARG A 81 6.545 0.850 2.249 1.00 1.48 H new ATOM 0 HA ARG A 81 4.350 0.243 4.211 1.00 1.84 H new ATOM 0 HB2 ARG A 81 5.683 2.154 4.994 1.00 2.24 H new ATOM 0 HB3 ARG A 81 5.626 2.900 3.409 1.00 2.24 H new ATOM 0 HG2 ARG A 81 3.386 3.547 3.631 1.00 2.95 H new ATOM 0 HG3 ARG A 81 2.979 2.186 4.656 1.00 2.95 H new ATOM 0 HD2 ARG A 81 4.899 4.323 5.659 1.00 4.04 H new ATOM 0 HD3 ARG A 81 3.169 4.594 5.738 1.00 4.04 H new ATOM 0 HE ARG A 81 3.472 2.029 6.873 1.00 4.81 H new ATOM 0 HH11 ARG A 81 4.827 5.223 7.303 1.00 4.94 H new ATOM 0 HH12 ARG A 81 5.108 5.008 9.034 1.00 4.94 H new ATOM 0 HH21 ARG A 81 3.831 1.753 9.087 1.00 6.01 H new ATOM 0 HH22 ARG A 81 4.549 3.059 10.036 1.00 6.01 H new ATOM 1155 N VAL A 82 2.551 0.916 2.544 1.00 2.00 N ATOM 1156 CA VAL A 82 1.554 1.066 1.450 1.00 2.41 C ATOM 1157 C VAL A 82 0.210 1.495 2.041 1.00 1.99 C ATOM 1158 O VAL A 82 -0.079 1.247 3.195 1.00 1.85 O ATOM 1159 CB VAL A 82 1.388 -0.270 0.726 1.00 3.05 C ATOM 1160 CG1 VAL A 82 1.233 -1.393 1.753 1.00 3.76 C ATOM 1161 CG2 VAL A 82 0.143 -0.218 -0.163 1.00 3.57 C ATOM 0 H VAL A 82 2.160 0.690 3.459 1.00 2.00 H new ATOM 0 HA VAL A 82 1.899 1.822 0.745 1.00 2.41 H new ATOM 0 HB VAL A 82 2.267 -0.460 0.110 1.00 3.05 H new ATOM 0 HG11 VAL A 82 1.115 -2.345 1.236 1.00 3.76 H new ATOM 0 HG12 VAL A 82 2.119 -1.432 2.386 1.00 3.76 H new ATOM 0 HG13 VAL A 82 0.354 -1.203 2.370 1.00 3.76 H new ATOM 0 HG21 VAL A 82 0.025 -1.171 -0.679 1.00 3.57 H new ATOM 0 HG22 VAL A 82 -0.736 -0.027 0.453 1.00 3.57 H new ATOM 0 HG23 VAL A 82 0.253 0.581 -0.896 1.00 3.57 H new ATOM 1171 N LEU A 83 -0.615 2.137 1.260 1.00 2.02 N ATOM 1172 CA LEU A 83 -1.938 2.580 1.781 1.00 1.82 C ATOM 1173 C LEU A 83 -2.980 2.509 0.663 1.00 1.64 C ATOM 1174 O LEU A 83 -2.653 2.546 -0.507 1.00 1.78 O ATOM 1175 CB LEU A 83 -1.831 4.020 2.287 1.00 2.29 C ATOM 1176 CG LEU A 83 -0.801 4.780 1.450 1.00 1.71 C ATOM 1177 CD1 LEU A 83 -1.279 6.217 1.232 1.00 1.99 C ATOM 1178 CD2 LEU A 83 0.540 4.796 2.188 1.00 1.42 C ATOM 0 H LEU A 83 -0.430 2.373 0.285 1.00 2.02 H new ATOM 0 HA LEU A 83 -2.241 1.928 2.600 1.00 1.82 H new ATOM 0 HB2 LEU A 83 -2.802 4.512 2.223 1.00 2.29 H new ATOM 0 HB3 LEU A 83 -1.538 4.027 3.337 1.00 2.29 H new ATOM 0 HG LEU A 83 -0.681 4.287 0.485 1.00 1.71 H new ATOM 0 HD11 LEU A 83 -0.545 6.758 0.635 1.00 1.99 H new ATOM 0 HD12 LEU A 83 -2.235 6.207 0.709 1.00 1.99 H new ATOM 0 HD13 LEU A 83 -1.398 6.711 2.196 1.00 1.99 H new ATOM 0 HD21 LEU A 83 1.276 5.337 1.593 1.00 1.42 H new ATOM 0 HD22 LEU A 83 0.419 5.289 3.152 1.00 1.42 H new ATOM 0 HD23 LEU A 83 0.881 3.773 2.344 1.00 1.42 H new ATOM 1190 N VAL A 84 -4.234 2.408 1.012 1.00 1.54 N ATOM 1191 CA VAL A 84 -5.294 2.338 -0.034 1.00 1.53 C ATOM 1192 C VAL A 84 -6.563 3.025 0.472 1.00 1.46 C ATOM 1193 O VAL A 84 -6.952 2.871 1.613 1.00 1.51 O ATOM 1194 CB VAL A 84 -5.607 0.875 -0.357 1.00 1.58 C ATOM 1195 CG1 VAL A 84 -6.044 0.759 -1.819 1.00 1.89 C ATOM 1196 CG2 VAL A 84 -4.357 0.020 -0.134 1.00 1.84 C ATOM 0 H VAL A 84 -4.570 2.371 1.974 1.00 1.54 H new ATOM 0 HA VAL A 84 -4.940 2.841 -0.934 1.00 1.53 H new ATOM 0 HB VAL A 84 -6.408 0.525 0.295 1.00 1.58 H new ATOM 0 HG11 VAL A 84 -6.267 -0.282 -2.050 1.00 1.89 H new ATOM 0 HG12 VAL A 84 -6.935 1.366 -1.982 1.00 1.89 H new ATOM 0 HG13 VAL A 84 -5.242 1.111 -2.468 1.00 1.89 H new ATOM 0 HG21 VAL A 84 -4.582 -1.021 -0.365 1.00 1.84 H new ATOM 0 HG22 VAL A 84 -3.556 0.370 -0.785 1.00 1.84 H new ATOM 0 HG23 VAL A 84 -4.042 0.101 0.906 1.00 1.84 H new ATOM 1206 N GLY A 85 -7.213 3.782 -0.369 1.00 1.45 N ATOM 1207 CA GLY A 85 -8.458 4.478 0.061 1.00 1.49 C ATOM 1208 C GLY A 85 -8.443 5.917 -0.458 1.00 1.17 C ATOM 1209 O GLY A 85 -7.790 6.228 -1.434 1.00 1.15 O ATOM 0 H GLY A 85 -6.935 3.949 -1.336 1.00 1.45 H new ATOM 0 HA2 GLY A 85 -9.332 3.951 -0.321 1.00 1.49 H new ATOM 0 HA3 GLY A 85 -8.533 4.473 1.148 1.00 1.49 H new ATOM 1213 N GLU A 86 -9.159 6.797 0.187 1.00 1.14 N ATOM 1214 CA GLU A 86 -9.184 8.215 -0.270 1.00 1.19 C ATOM 1215 C GLU A 86 -8.048 8.987 0.401 1.00 1.21 C ATOM 1216 O GLU A 86 -7.050 8.420 0.799 1.00 1.63 O ATOM 1217 CB GLU A 86 -10.525 8.848 0.111 1.00 1.44 C ATOM 1218 CG GLU A 86 -10.731 8.734 1.623 1.00 1.42 C ATOM 1219 CD GLU A 86 -11.324 7.364 1.954 1.00 1.91 C ATOM 1220 OE1 GLU A 86 -11.234 6.482 1.115 1.00 2.03 O ATOM 1221 OE2 GLU A 86 -11.857 7.218 3.042 1.00 2.54 O ATOM 0 H GLU A 86 -9.727 6.595 1.010 1.00 1.14 H new ATOM 0 HA GLU A 86 -9.058 8.251 -1.352 1.00 1.19 H new ATOM 0 HB2 GLU A 86 -10.544 9.895 -0.192 1.00 1.44 H new ATOM 0 HB3 GLU A 86 -11.338 8.349 -0.416 1.00 1.44 H new ATOM 0 HG2 GLU A 86 -9.781 8.866 2.141 1.00 1.42 H new ATOM 0 HG3 GLU A 86 -11.397 9.524 1.971 1.00 1.42 H new ATOM 1228 N GLY A 87 -8.190 10.277 0.533 1.00 1.18 N ATOM 1229 CA GLY A 87 -7.118 11.084 1.181 1.00 1.38 C ATOM 1230 C GLY A 87 -7.376 12.571 0.939 1.00 1.20 C ATOM 1231 O GLY A 87 -6.510 13.401 1.133 1.00 1.26 O ATOM 0 H GLY A 87 -9.003 10.808 0.220 1.00 1.18 H new ATOM 0 HA2 GLY A 87 -7.092 10.879 2.251 1.00 1.38 H new ATOM 0 HA3 GLY A 87 -6.145 10.804 0.779 1.00 1.38 H new ATOM 1280 N ARG A 92 -10.316 10.235 5.659 1.00 2.28 N ATOM 1281 CA ARG A 92 -9.148 9.333 5.862 1.00 2.12 C ATOM 1282 C ARG A 92 -9.401 8.001 5.151 1.00 1.84 C ATOM 1283 O ARG A 92 -10.503 7.711 4.730 1.00 2.05 O ATOM 1284 CB ARG A 92 -8.953 9.080 7.358 1.00 2.02 C ATOM 1285 CG ARG A 92 -10.284 8.659 7.984 1.00 2.72 C ATOM 1286 CD ARG A 92 -10.245 7.164 8.310 1.00 3.19 C ATOM 1287 NE ARG A 92 -9.603 6.961 9.639 1.00 4.00 N ATOM 1288 CZ ARG A 92 -9.726 5.817 10.255 1.00 4.78 C ATOM 1289 NH1 ARG A 92 -10.410 4.851 9.706 1.00 4.91 N ATOM 1290 NH2 ARG A 92 -9.164 5.640 11.420 1.00 5.74 N ATOM 0 HA ARG A 92 -8.253 9.801 5.451 1.00 2.12 H new ATOM 0 HB2 ARG A 92 -8.205 8.302 7.511 1.00 2.02 H new ATOM 0 HB3 ARG A 92 -8.580 9.981 7.844 1.00 2.02 H new ATOM 0 HG2 ARG A 92 -10.470 9.235 8.891 1.00 2.72 H new ATOM 0 HG3 ARG A 92 -11.104 8.871 7.298 1.00 2.72 H new ATOM 0 HD2 ARG A 92 -11.256 6.756 8.317 1.00 3.19 H new ATOM 0 HD3 ARG A 92 -9.690 6.628 7.540 1.00 3.19 H new ATOM 0 HE ARG A 92 -9.067 7.716 10.067 1.00 4.00 H new ATOM 0 HH11 ARG A 92 -10.848 4.990 8.796 1.00 4.91 H new ATOM 0 HH12 ARG A 92 -10.506 3.957 10.187 1.00 4.91 H new ATOM 0 HH21 ARG A 92 -8.629 6.396 11.848 1.00 5.74 H new ATOM 0 HH22 ARG A 92 -9.260 4.746 11.902 1.00 5.74 H new ATOM 1304 N THR A 93 -8.388 7.189 5.015 1.00 1.67 N ATOM 1305 CA THR A 93 -8.572 5.877 4.332 1.00 1.74 C ATOM 1306 C THR A 93 -8.712 4.767 5.373 1.00 1.95 C ATOM 1307 O THR A 93 -8.594 4.992 6.561 1.00 2.27 O ATOM 1308 CB THR A 93 -7.360 5.577 3.449 1.00 1.70 C ATOM 1309 OG1 THR A 93 -7.160 4.172 3.392 1.00 2.15 O ATOM 1310 CG2 THR A 93 -6.115 6.243 4.038 1.00 1.74 C ATOM 0 H THR A 93 -7.442 7.377 5.347 1.00 1.67 H new ATOM 0 HA THR A 93 -9.472 5.923 3.719 1.00 1.74 H new ATOM 0 HB THR A 93 -7.536 5.966 2.446 1.00 1.70 H new ATOM 0 HG1 THR A 93 -7.045 3.896 2.459 1.00 2.15 H new ATOM 0 HG21 THR A 93 -5.253 6.027 3.406 1.00 1.74 H new ATOM 0 HG22 THR A 93 -6.268 7.321 4.087 1.00 1.74 H new ATOM 0 HG23 THR A 93 -5.935 5.856 5.041 1.00 1.74 H new ATOM 1318 N ALA A 94 -8.953 3.565 4.928 1.00 2.15 N ATOM 1319 CA ALA A 94 -9.092 2.430 5.879 1.00 2.71 C ATOM 1320 C ALA A 94 -7.932 1.457 5.662 1.00 2.70 C ATOM 1321 O ALA A 94 -7.576 0.695 6.539 1.00 3.18 O ATOM 1322 CB ALA A 94 -10.418 1.709 5.629 1.00 3.28 C ATOM 0 H ALA A 94 -9.060 3.321 3.943 1.00 2.15 H new ATOM 0 HA ALA A 94 -9.076 2.803 6.903 1.00 2.71 H new ATOM 0 HB1 ALA A 94 -10.517 0.878 6.327 1.00 3.28 H new ATOM 0 HB2 ALA A 94 -11.244 2.405 5.774 1.00 3.28 H new ATOM 0 HB3 ALA A 94 -10.439 1.329 4.607 1.00 3.28 H new ATOM 1328 N PHE A 95 -7.336 1.479 4.500 1.00 2.24 N ATOM 1329 CA PHE A 95 -6.198 0.556 4.233 1.00 2.32 C ATOM 1330 C PHE A 95 -4.888 1.244 4.614 1.00 1.89 C ATOM 1331 O PHE A 95 -3.866 1.045 3.988 1.00 2.04 O ATOM 1332 CB PHE A 95 -6.165 0.202 2.746 1.00 2.74 C ATOM 1333 CG PHE A 95 -5.602 -1.187 2.559 1.00 2.97 C ATOM 1334 CD1 PHE A 95 -4.660 -1.697 3.463 1.00 3.34 C ATOM 1335 CD2 PHE A 95 -6.023 -1.969 1.475 1.00 3.27 C ATOM 1336 CE1 PHE A 95 -4.143 -2.985 3.283 1.00 3.65 C ATOM 1337 CE2 PHE A 95 -5.504 -3.257 1.295 1.00 3.55 C ATOM 1338 CZ PHE A 95 -4.564 -3.765 2.200 1.00 3.60 C ATOM 0 H PHE A 95 -7.588 2.095 3.727 1.00 2.24 H new ATOM 0 HA PHE A 95 -6.322 -0.352 4.822 1.00 2.32 H new ATOM 0 HB2 PHE A 95 -7.170 0.255 2.329 1.00 2.74 H new ATOM 0 HB3 PHE A 95 -5.556 0.926 2.205 1.00 2.74 H new ATOM 0 HD1 PHE A 95 -4.333 -1.096 4.299 1.00 3.34 H new ATOM 0 HD2 PHE A 95 -6.749 -1.578 0.777 1.00 3.27 H new ATOM 0 HE1 PHE A 95 -3.418 -3.378 3.981 1.00 3.65 H new ATOM 0 HE2 PHE A 95 -5.829 -3.858 0.459 1.00 3.55 H new ATOM 0 HZ PHE A 95 -4.164 -4.759 2.062 1.00 3.60 H new ATOM 1348 N GLU A 96 -4.906 2.057 5.633 1.00 1.92 N ATOM 1349 CA GLU A 96 -3.657 2.757 6.042 1.00 2.11 C ATOM 1350 C GLU A 96 -2.773 1.798 6.842 1.00 1.99 C ATOM 1351 O GLU A 96 -2.768 1.809 8.056 1.00 2.04 O ATOM 1352 CB GLU A 96 -4.011 3.968 6.910 1.00 2.46 C ATOM 1353 CG GLU A 96 -3.046 5.115 6.601 1.00 3.05 C ATOM 1354 CD GLU A 96 -1.606 4.604 6.667 1.00 3.87 C ATOM 1355 OE1 GLU A 96 -1.336 3.759 7.503 1.00 4.60 O ATOM 1356 OE2 GLU A 96 -0.799 5.066 5.877 1.00 4.04 O ATOM 0 H GLU A 96 -5.729 2.266 6.199 1.00 1.92 H new ATOM 0 HA GLU A 96 -3.121 3.091 5.154 1.00 2.11 H new ATOM 0 HB2 GLU A 96 -5.037 4.280 6.717 1.00 2.46 H new ATOM 0 HB3 GLU A 96 -3.952 3.703 7.966 1.00 2.46 H new ATOM 0 HG2 GLU A 96 -3.253 5.522 5.611 1.00 3.05 H new ATOM 0 HG3 GLU A 96 -3.188 5.926 7.315 1.00 3.05 H new ATOM 1363 N GLN A 97 -2.024 0.967 6.169 1.00 2.12 N ATOM 1364 CA GLN A 97 -1.142 0.007 6.891 1.00 2.35 C ATOM 1365 C GLN A 97 0.319 0.425 6.717 1.00 2.76 C ATOM 1366 O GLN A 97 0.617 1.558 6.393 1.00 3.44 O ATOM 1367 CB GLN A 97 -1.342 -1.398 6.319 1.00 2.59 C ATOM 1368 CG GLN A 97 -0.451 -1.582 5.089 1.00 2.67 C ATOM 1369 CD GLN A 97 -1.113 -2.564 4.120 1.00 2.83 C ATOM 1370 OE1 GLN A 97 -1.635 -2.168 3.097 1.00 2.75 O ATOM 1371 NE2 GLN A 97 -1.112 -3.839 4.401 1.00 3.46 N ATOM 0 H GLN A 97 -1.985 0.912 5.151 1.00 2.12 H new ATOM 0 HA GLN A 97 -1.396 0.008 7.951 1.00 2.35 H new ATOM 0 HB2 GLN A 97 -1.098 -2.147 7.073 1.00 2.59 H new ATOM 0 HB3 GLN A 97 -2.388 -1.546 6.049 1.00 2.59 H new ATOM 0 HG2 GLN A 97 -0.290 -0.623 4.597 1.00 2.67 H new ATOM 0 HG3 GLN A 97 0.528 -1.955 5.389 1.00 2.67 H new ATOM 0 HE21 GLN A 97 -0.674 -4.172 5.260 1.00 3.46 H new ATOM 0 HE22 GLN A 97 -1.549 -4.502 3.762 1.00 3.46 H new ATOM 1380 N GLY A 98 1.234 -0.481 6.930 1.00 2.66 N ATOM 1381 CA GLY A 98 2.675 -0.135 6.777 1.00 3.12 C ATOM 1382 C GLY A 98 3.523 -1.400 6.922 1.00 2.94 C ATOM 1383 O GLY A 98 4.476 -1.607 6.198 1.00 3.67 O ATOM 0 H GLY A 98 1.046 -1.445 7.203 1.00 2.66 H new ATOM 0 HA2 GLY A 98 2.849 0.322 5.803 1.00 3.12 H new ATOM 0 HA3 GLY A 98 2.966 0.598 7.529 1.00 3.12 H new ATOM 1387 N SER A 99 3.185 -2.248 7.854 1.00 2.31 N ATOM 1388 CA SER A 99 3.970 -3.498 8.048 1.00 2.54 C ATOM 1389 C SER A 99 3.862 -4.371 6.796 1.00 2.05 C ATOM 1390 O SER A 99 3.098 -5.315 6.749 1.00 1.87 O ATOM 1391 CB SER A 99 3.415 -4.261 9.250 1.00 3.04 C ATOM 1392 OG SER A 99 2.868 -3.337 10.180 1.00 3.79 O ATOM 0 H SER A 99 2.397 -2.128 8.491 1.00 2.31 H new ATOM 0 HA SER A 99 5.016 -3.247 8.224 1.00 2.54 H new ATOM 0 HB2 SER A 99 2.649 -4.965 8.926 1.00 3.04 H new ATOM 0 HB3 SER A 99 4.206 -4.845 9.722 1.00 3.04 H new ATOM 0 HG SER A 99 2.509 -3.823 10.952 1.00 3.79 H new ATOM 1398 N ALA A 100 4.620 -4.064 5.778 1.00 1.96 N ATOM 1399 CA ALA A 100 4.559 -4.877 4.532 1.00 1.63 C ATOM 1400 C ALA A 100 5.951 -5.438 4.221 1.00 1.41 C ATOM 1401 O ALA A 100 6.779 -4.770 3.635 1.00 1.39 O ATOM 1402 CB ALA A 100 4.096 -3.991 3.373 1.00 1.76 C ATOM 0 H ALA A 100 5.278 -3.285 5.756 1.00 1.96 H new ATOM 0 HA ALA A 100 3.857 -5.700 4.666 1.00 1.63 H new ATOM 0 HB1 ALA A 100 4.050 -4.583 2.459 1.00 1.76 H new ATOM 0 HB2 ALA A 100 3.108 -3.589 3.595 1.00 1.76 H new ATOM 0 HB3 ALA A 100 4.800 -3.170 3.239 1.00 1.76 H new ATOM 1408 N PRO A 101 6.210 -6.656 4.621 1.00 1.67 N ATOM 1409 CA PRO A 101 7.524 -7.319 4.391 1.00 1.70 C ATOM 1410 C PRO A 101 7.661 -7.887 2.976 1.00 1.06 C ATOM 1411 O PRO A 101 6.795 -8.586 2.489 1.00 1.45 O ATOM 1412 CB PRO A 101 7.536 -8.447 5.422 1.00 2.69 C ATOM 1413 CG PRO A 101 6.101 -8.792 5.652 1.00 2.97 C ATOM 1414 CD PRO A 101 5.276 -7.540 5.337 1.00 2.35 C ATOM 0 HA PRO A 101 8.353 -6.618 4.492 1.00 1.70 H new ATOM 0 HB2 PRO A 101 8.093 -9.309 5.054 1.00 2.69 H new ATOM 0 HB3 PRO A 101 8.016 -8.128 6.347 1.00 2.69 H new ATOM 0 HG2 PRO A 101 5.798 -9.622 5.014 1.00 2.97 H new ATOM 0 HG3 PRO A 101 5.942 -9.108 6.683 1.00 2.97 H new ATOM 0 HD2 PRO A 101 4.408 -7.780 4.724 1.00 2.35 H new ATOM 0 HD3 PRO A 101 4.903 -7.070 6.247 1.00 2.35 H new ATOM 1422 N LEU A 102 8.747 -7.593 2.314 1.00 0.99 N ATOM 1423 CA LEU A 102 8.946 -8.118 0.933 1.00 1.10 C ATOM 1424 C LEU A 102 10.355 -8.705 0.813 1.00 0.93 C ATOM 1425 O LEU A 102 11.310 -8.165 1.335 1.00 1.33 O ATOM 1426 CB LEU A 102 8.780 -6.981 -0.078 1.00 2.00 C ATOM 1427 CG LEU A 102 7.315 -6.895 -0.510 1.00 2.39 C ATOM 1428 CD1 LEU A 102 6.997 -5.468 -0.961 1.00 3.06 C ATOM 1429 CD2 LEU A 102 7.070 -7.860 -1.673 1.00 2.31 C ATOM 0 H LEU A 102 9.506 -7.011 2.670 1.00 0.99 H new ATOM 0 HA LEU A 102 8.207 -8.893 0.729 1.00 1.10 H new ATOM 0 HB2 LEU A 102 9.096 -6.037 0.365 1.00 2.00 H new ATOM 0 HB3 LEU A 102 9.417 -7.155 -0.945 1.00 2.00 H new ATOM 0 HG LEU A 102 6.674 -7.163 0.330 1.00 2.39 H new ATOM 0 HD11 LEU A 102 5.953 -5.408 -1.269 1.00 3.06 H new ATOM 0 HD12 LEU A 102 7.173 -4.778 -0.136 1.00 3.06 H new ATOM 0 HD13 LEU A 102 7.639 -5.200 -1.800 1.00 3.06 H new ATOM 0 HD21 LEU A 102 6.026 -7.800 -1.982 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.713 -7.590 -2.511 1.00 2.31 H new ATOM 0 HD23 LEU A 102 7.296 -8.878 -1.355 1.00 2.31 H new ATOM 1441 N THR A 103 10.492 -9.809 0.129 1.00 1.21 N ATOM 1442 CA THR A 103 11.838 -10.429 -0.022 1.00 1.09 C ATOM 1443 C THR A 103 12.480 -9.946 -1.324 1.00 1.38 C ATOM 1444 O THR A 103 12.088 -8.942 -1.885 1.00 1.81 O ATOM 1445 CB THR A 103 11.695 -11.952 -0.057 1.00 1.79 C ATOM 1446 OG1 THR A 103 12.840 -12.520 -0.677 1.00 2.04 O ATOM 1447 CG2 THR A 103 10.444 -12.331 -0.851 1.00 2.34 C ATOM 0 H THR A 103 9.730 -10.307 -0.331 1.00 1.21 H new ATOM 0 HA THR A 103 12.468 -10.142 0.820 1.00 1.09 H new ATOM 0 HB THR A 103 11.606 -12.331 0.961 1.00 1.79 H new ATOM 0 HG1 THR A 103 12.750 -13.496 -0.698 1.00 2.04 H new ATOM 0 HG21 THR A 103 10.343 -13.416 -0.875 1.00 2.34 H new ATOM 0 HG22 THR A 103 9.565 -11.896 -0.375 1.00 2.34 H new ATOM 0 HG23 THR A 103 10.531 -11.952 -1.869 1.00 2.34 H new ATOM 1455 N GLY A 104 13.465 -10.652 -1.809 1.00 1.62 N ATOM 1456 CA GLY A 104 14.132 -10.232 -3.074 1.00 2.17 C ATOM 1457 C GLY A 104 13.736 -11.183 -4.204 1.00 1.60 C ATOM 1458 O GLY A 104 14.508 -11.450 -5.103 1.00 1.83 O ATOM 0 H GLY A 104 13.837 -11.501 -1.384 1.00 1.62 H new ATOM 0 HA2 GLY A 104 13.845 -9.211 -3.327 1.00 2.17 H new ATOM 0 HA3 GLY A 104 15.214 -10.236 -2.945 1.00 2.17 H new ATOM 1462 N GLU A 105 12.536 -11.694 -4.169 1.00 1.22 N ATOM 1463 CA GLU A 105 12.093 -12.624 -5.245 1.00 1.09 C ATOM 1464 C GLU A 105 10.880 -12.027 -5.964 1.00 1.06 C ATOM 1465 O GLU A 105 10.025 -11.421 -5.348 1.00 1.08 O ATOM 1466 CB GLU A 105 11.708 -13.970 -4.628 1.00 1.40 C ATOM 1467 CG GLU A 105 12.768 -15.016 -4.981 1.00 1.95 C ATOM 1468 CD GLU A 105 14.044 -14.738 -4.185 1.00 2.43 C ATOM 1469 OE1 GLU A 105 14.803 -13.877 -4.602 1.00 3.02 O ATOM 1470 OE2 GLU A 105 14.242 -15.390 -3.173 1.00 2.75 O ATOM 0 H GLU A 105 11.844 -11.508 -3.443 1.00 1.22 H new ATOM 0 HA GLU A 105 12.904 -12.770 -5.958 1.00 1.09 H new ATOM 0 HB2 GLU A 105 11.622 -13.875 -3.546 1.00 1.40 H new ATOM 0 HB3 GLU A 105 10.733 -14.286 -4.998 1.00 1.40 H new ATOM 0 HG2 GLU A 105 12.397 -16.016 -4.756 1.00 1.95 H new ATOM 0 HG3 GLU A 105 12.980 -14.988 -6.050 1.00 1.95 H new ATOM 1477 N PRO A 106 10.803 -12.196 -7.259 1.00 1.08 N ATOM 1478 CA PRO A 106 9.673 -11.664 -8.072 1.00 1.12 C ATOM 1479 C PRO A 106 8.385 -12.462 -7.864 1.00 1.24 C ATOM 1480 O PRO A 106 8.394 -13.677 -7.831 1.00 1.42 O ATOM 1481 CB PRO A 106 10.163 -11.809 -9.515 1.00 1.26 C ATOM 1482 CG PRO A 106 11.157 -12.922 -9.484 1.00 1.20 C ATOM 1483 CD PRO A 106 11.785 -12.913 -8.089 1.00 1.13 C ATOM 0 HA PRO A 106 9.424 -10.639 -7.797 1.00 1.12 H new ATOM 0 HB2 PRO A 106 9.338 -12.037 -10.189 1.00 1.26 H new ATOM 0 HB3 PRO A 106 10.619 -10.885 -9.870 1.00 1.26 H new ATOM 0 HG2 PRO A 106 10.674 -13.878 -9.684 1.00 1.20 H new ATOM 0 HG3 PRO A 106 11.918 -12.783 -10.252 1.00 1.20 H new ATOM 0 HD2 PRO A 106 11.955 -13.925 -7.721 1.00 1.13 H new ATOM 0 HD3 PRO A 106 12.751 -12.408 -8.090 1.00 1.13 H new ATOM 1491 N ALA A 107 7.274 -11.792 -7.725 1.00 1.17 N ATOM 1492 CA ALA A 107 5.988 -12.517 -7.520 1.00 1.31 C ATOM 1493 C ALA A 107 4.918 -11.539 -7.031 1.00 1.24 C ATOM 1494 O ALA A 107 5.219 -10.475 -6.524 1.00 1.04 O ATOM 1495 CB ALA A 107 6.187 -13.619 -6.478 1.00 1.37 C ATOM 0 H ALA A 107 7.201 -10.775 -7.744 1.00 1.17 H new ATOM 0 HA ALA A 107 5.667 -12.960 -8.463 1.00 1.31 H new ATOM 0 HB1 ALA A 107 5.247 -14.151 -6.327 1.00 1.37 H new ATOM 0 HB2 ALA A 107 6.947 -14.318 -6.828 1.00 1.37 H new ATOM 0 HB3 ALA A 107 6.509 -13.175 -5.536 1.00 1.37 H new ATOM 1501 N THR A 108 3.670 -11.894 -7.179 1.00 1.45 N ATOM 1502 CA THR A 108 2.575 -10.993 -6.723 1.00 1.43 C ATOM 1503 C THR A 108 2.323 -11.189 -5.229 1.00 1.38 C ATOM 1504 O THR A 108 2.146 -12.297 -4.762 1.00 1.47 O ATOM 1505 CB THR A 108 1.281 -11.323 -7.478 1.00 1.60 C ATOM 1506 OG1 THR A 108 1.288 -12.698 -7.834 1.00 1.72 O ATOM 1507 CG2 THR A 108 1.164 -10.472 -8.744 1.00 1.66 C ATOM 0 H THR A 108 3.362 -12.772 -7.597 1.00 1.45 H new ATOM 0 HA THR A 108 2.872 -9.963 -6.918 1.00 1.43 H new ATOM 0 HB THR A 108 0.430 -11.106 -6.832 1.00 1.60 H new ATOM 0 HG1 THR A 108 0.463 -12.915 -8.315 1.00 1.72 H new ATOM 0 HG21 THR A 108 0.240 -10.721 -9.266 1.00 1.66 H new ATOM 0 HG22 THR A 108 1.155 -9.416 -8.473 1.00 1.66 H new ATOM 0 HG23 THR A 108 2.014 -10.672 -9.397 1.00 1.66 H new ATOM 1515 N ARG A 109 2.261 -10.122 -4.483 1.00 1.33 N ATOM 1516 CA ARG A 109 1.969 -10.259 -3.032 1.00 1.32 C ATOM 1517 C ARG A 109 0.461 -10.100 -2.873 1.00 1.37 C ATOM 1518 O ARG A 109 -0.158 -9.368 -3.612 1.00 1.49 O ATOM 1519 CB ARG A 109 2.690 -9.168 -2.241 1.00 1.27 C ATOM 1520 CG ARG A 109 4.033 -9.704 -1.739 1.00 1.97 C ATOM 1521 CD ARG A 109 3.790 -10.861 -0.768 1.00 2.63 C ATOM 1522 NE ARG A 109 4.768 -10.782 0.354 1.00 3.48 N ATOM 1523 CZ ARG A 109 4.571 -11.472 1.443 1.00 3.74 C ATOM 1524 NH1 ARG A 109 3.515 -12.232 1.551 1.00 3.39 N ATOM 1525 NH2 ARG A 109 5.427 -11.403 2.425 1.00 4.70 N ATOM 0 H ARG A 109 2.399 -9.167 -4.814 1.00 1.33 H new ATOM 0 HA ARG A 109 2.309 -11.224 -2.656 1.00 1.32 H new ATOM 0 HB2 ARG A 109 2.848 -8.292 -2.870 1.00 1.27 H new ATOM 0 HB3 ARG A 109 2.076 -8.849 -1.399 1.00 1.27 H new ATOM 0 HG2 ARG A 109 4.639 -10.042 -2.580 1.00 1.97 H new ATOM 0 HG3 ARG A 109 4.591 -8.910 -1.243 1.00 1.97 H new ATOM 0 HD2 ARG A 109 2.772 -10.817 -0.381 1.00 2.63 H new ATOM 0 HD3 ARG A 109 3.893 -11.814 -1.288 1.00 2.63 H new ATOM 0 HE ARG A 109 5.593 -10.187 0.270 1.00 3.48 H new ATOM 0 HH11 ARG A 109 2.845 -12.286 0.784 1.00 3.39 H new ATOM 0 HH12 ARG A 109 3.360 -12.772 2.402 1.00 3.39 H new ATOM 0 HH21 ARG A 109 6.252 -10.809 2.342 1.00 4.70 H new ATOM 0 HH22 ARG A 109 5.271 -11.943 3.276 1.00 4.70 H new ATOM 1539 N GLU A 110 -0.144 -10.778 -1.943 1.00 1.37 N ATOM 1540 CA GLU A 110 -1.623 -10.656 -1.806 1.00 1.51 C ATOM 1541 C GLU A 110 -1.972 -9.836 -0.564 1.00 1.50 C ATOM 1542 O GLU A 110 -1.867 -10.299 0.554 1.00 1.45 O ATOM 1543 CB GLU A 110 -2.235 -12.052 -1.677 1.00 1.79 C ATOM 1544 CG GLU A 110 -2.012 -12.830 -2.975 1.00 2.12 C ATOM 1545 CD GLU A 110 -3.333 -12.944 -3.736 1.00 2.63 C ATOM 1546 OE1 GLU A 110 -4.346 -13.171 -3.095 1.00 3.28 O ATOM 1547 OE2 GLU A 110 -3.310 -12.803 -4.948 1.00 2.69 O ATOM 0 H GLU A 110 0.311 -11.404 -1.279 1.00 1.37 H new ATOM 0 HA GLU A 110 -2.022 -10.154 -2.688 1.00 1.51 H new ATOM 0 HB2 GLU A 110 -1.782 -12.583 -0.840 1.00 1.79 H new ATOM 0 HB3 GLU A 110 -3.302 -11.975 -1.466 1.00 1.79 H new ATOM 0 HG2 GLU A 110 -1.268 -12.325 -3.591 1.00 2.12 H new ATOM 0 HG3 GLU A 110 -1.621 -13.823 -2.753 1.00 2.12 H new ATOM 1554 N TYR A 111 -2.395 -8.618 -0.763 1.00 1.66 N ATOM 1555 CA TYR A 111 -2.765 -7.750 0.387 1.00 1.81 C ATOM 1556 C TYR A 111 -4.284 -7.564 0.392 1.00 2.14 C ATOM 1557 O TYR A 111 -4.795 -6.534 0.002 1.00 2.42 O ATOM 1558 CB TYR A 111 -2.082 -6.388 0.236 1.00 1.87 C ATOM 1559 CG TYR A 111 -0.733 -6.414 0.916 1.00 1.94 C ATOM 1560 CD1 TYR A 111 0.116 -7.514 0.751 1.00 2.76 C ATOM 1561 CD2 TYR A 111 -0.330 -5.333 1.710 1.00 1.82 C ATOM 1562 CE1 TYR A 111 1.366 -7.536 1.382 1.00 2.96 C ATOM 1563 CE2 TYR A 111 0.919 -5.354 2.339 1.00 2.00 C ATOM 1564 CZ TYR A 111 1.768 -6.455 2.175 1.00 2.36 C ATOM 1565 OH TYR A 111 3.000 -6.476 2.796 1.00 2.67 O ATOM 0 H TYR A 111 -2.500 -8.185 -1.680 1.00 1.66 H new ATOM 0 HA TYR A 111 -2.445 -8.210 1.322 1.00 1.81 H new ATOM 0 HB2 TYR A 111 -1.963 -6.146 -0.820 1.00 1.87 H new ATOM 0 HB3 TYR A 111 -2.705 -5.608 0.673 1.00 1.87 H new ATOM 0 HD1 TYR A 111 -0.193 -8.347 0.137 1.00 2.76 H new ATOM 0 HD2 TYR A 111 -0.984 -4.483 1.837 1.00 1.82 H new ATOM 0 HE1 TYR A 111 2.019 -8.387 1.257 1.00 2.96 H new ATOM 0 HE2 TYR A 111 1.229 -4.520 2.952 1.00 2.00 H new ATOM 0 HH TYR A 111 3.692 -6.709 2.142 1.00 2.67 H new ATOM 1575 N ALA A 112 -5.008 -8.561 0.821 1.00 2.33 N ATOM 1576 CA ALA A 112 -6.493 -8.452 0.840 1.00 2.71 C ATOM 1577 C ALA A 112 -6.968 -8.119 2.256 1.00 2.50 C ATOM 1578 O ALA A 112 -6.236 -8.248 3.216 1.00 2.65 O ATOM 1579 CB ALA A 112 -7.104 -9.783 0.397 1.00 3.41 C ATOM 0 H ALA A 112 -4.634 -9.448 1.160 1.00 2.33 H new ATOM 0 HA ALA A 112 -6.807 -7.660 0.160 1.00 2.71 H new ATOM 0 HB1 ALA A 112 -8.191 -9.706 0.410 1.00 3.41 H new ATOM 0 HB2 ALA A 112 -6.769 -10.019 -0.613 1.00 3.41 H new ATOM 0 HB3 ALA A 112 -6.788 -10.573 1.078 1.00 3.41 H new ATOM 1585 N PHE A 113 -8.195 -7.694 2.390 1.00 2.28 N ATOM 1586 CA PHE A 113 -8.723 -7.358 3.742 1.00 2.20 C ATOM 1587 C PHE A 113 -10.246 -7.253 3.686 1.00 1.67 C ATOM 1588 O PHE A 113 -10.864 -7.530 2.676 1.00 1.59 O ATOM 1589 CB PHE A 113 -8.143 -6.023 4.209 1.00 2.57 C ATOM 1590 CG PHE A 113 -8.524 -4.936 3.232 1.00 2.45 C ATOM 1591 CD1 PHE A 113 -8.014 -4.954 1.928 1.00 2.38 C ATOM 1592 CD2 PHE A 113 -9.387 -3.909 3.631 1.00 2.65 C ATOM 1593 CE1 PHE A 113 -8.369 -3.946 1.024 1.00 2.44 C ATOM 1594 CE2 PHE A 113 -9.742 -2.901 2.726 1.00 2.77 C ATOM 1595 CZ PHE A 113 -9.233 -2.919 1.423 1.00 2.64 C ATOM 0 H PHE A 113 -8.854 -7.565 1.622 1.00 2.28 H new ATOM 0 HA PHE A 113 -8.435 -8.143 4.441 1.00 2.20 H new ATOM 0 HB2 PHE A 113 -8.518 -5.780 5.203 1.00 2.57 H new ATOM 0 HB3 PHE A 113 -7.058 -6.093 4.286 1.00 2.57 H new ATOM 0 HD1 PHE A 113 -7.347 -5.745 1.620 1.00 2.38 H new ATOM 0 HD2 PHE A 113 -9.779 -3.894 4.637 1.00 2.65 H new ATOM 0 HE1 PHE A 113 -7.976 -3.960 0.018 1.00 2.44 H new ATOM 0 HE2 PHE A 113 -10.409 -2.109 3.034 1.00 2.77 H new ATOM 0 HZ PHE A 113 -9.506 -2.141 0.725 1.00 2.64 H new ATOM 1605 N THR A 114 -10.855 -6.850 4.766 1.00 1.53 N ATOM 1606 CA THR A 114 -12.338 -6.724 4.788 1.00 1.47 C ATOM 1607 C THR A 114 -12.726 -5.245 4.825 1.00 1.85 C ATOM 1608 O THR A 114 -12.494 -4.557 5.799 1.00 2.23 O ATOM 1609 CB THR A 114 -12.884 -7.427 6.031 1.00 1.92 C ATOM 1610 OG1 THR A 114 -11.916 -7.366 7.069 1.00 2.12 O ATOM 1611 CG2 THR A 114 -13.191 -8.888 5.702 1.00 2.22 C ATOM 0 H THR A 114 -10.387 -6.602 5.638 1.00 1.53 H new ATOM 0 HA THR A 114 -12.757 -7.184 3.893 1.00 1.47 H new ATOM 0 HB THR A 114 -13.799 -6.932 6.356 1.00 1.92 H new ATOM 0 HG1 THR A 114 -12.264 -7.815 7.868 1.00 2.12 H new ATOM 0 HG21 THR A 114 -13.580 -9.387 6.590 1.00 2.22 H new ATOM 0 HG22 THR A 114 -13.934 -8.933 4.905 1.00 2.22 H new ATOM 0 HG23 THR A 114 -12.278 -9.387 5.376 1.00 2.22 H new ATOM 1619 N SER A 115 -13.316 -4.750 3.772 1.00 2.24 N ATOM 1620 CA SER A 115 -13.720 -3.316 3.751 1.00 2.93 C ATOM 1621 C SER A 115 -14.443 -2.973 5.054 1.00 3.67 C ATOM 1622 O SER A 115 -15.411 -3.607 5.424 1.00 4.11 O ATOM 1623 CB SER A 115 -14.654 -3.066 2.566 1.00 3.21 C ATOM 1624 OG SER A 115 -14.721 -1.672 2.307 1.00 4.06 O ATOM 0 H SER A 115 -13.536 -5.276 2.926 1.00 2.24 H new ATOM 0 HA SER A 115 -12.834 -2.689 3.651 1.00 2.93 H new ATOM 0 HB2 SER A 115 -14.291 -3.594 1.684 1.00 3.21 H new ATOM 0 HB3 SER A 115 -15.649 -3.455 2.784 1.00 3.21 H new ATOM 0 HG SER A 115 -14.407 -1.493 1.396 1.00 4.06 H new ATOM 1630 N ASN A 116 -13.982 -1.972 5.754 1.00 3.92 N ATOM 1631 CA ASN A 116 -14.645 -1.588 7.032 1.00 4.70 C ATOM 1632 C ASN A 116 -15.048 -0.113 6.973 1.00 4.40 C ATOM 1633 O ASN A 116 -15.591 0.430 7.914 1.00 4.82 O ATOM 1634 CB ASN A 116 -13.675 -1.806 8.195 1.00 5.27 C ATOM 1635 CG ASN A 116 -14.209 -1.103 9.444 1.00 6.19 C ATOM 1636 OD1 ASN A 116 -13.579 -0.207 9.968 1.00 6.51 O ATOM 1637 ND2 ASN A 116 -15.355 -1.476 9.948 1.00 6.86 N ATOM 0 H ASN A 116 -13.175 -1.404 5.496 1.00 3.92 H new ATOM 0 HA ASN A 116 -15.533 -2.202 7.180 1.00 4.70 H new ATOM 0 HB2 ASN A 116 -13.556 -2.872 8.388 1.00 5.27 H new ATOM 0 HB3 ASN A 116 -12.690 -1.416 7.939 1.00 5.27 H new ATOM 0 HD21 ASN A 116 -15.720 -1.015 10.781 1.00 6.86 H new ATOM 0 HD22 ASN A 116 -15.885 -2.229 9.508 1.00 6.86 H new ATOM 1644 N LEU A 117 -14.786 0.538 5.873 1.00 3.81 N ATOM 1645 CA LEU A 117 -15.154 1.977 5.752 1.00 3.59 C ATOM 1646 C LEU A 117 -15.553 2.281 4.306 1.00 3.13 C ATOM 1647 O LEU A 117 -14.775 2.105 3.388 1.00 3.28 O ATOM 1648 CB LEU A 117 -13.954 2.842 6.148 1.00 3.83 C ATOM 1649 CG LEU A 117 -14.316 3.702 7.360 1.00 4.66 C ATOM 1650 CD1 LEU A 117 -15.548 4.550 7.036 1.00 5.12 C ATOM 1651 CD2 LEU A 117 -14.621 2.797 8.554 1.00 4.76 C ATOM 0 H LEU A 117 -14.333 0.136 5.053 1.00 3.81 H new ATOM 0 HA LEU A 117 -15.993 2.197 6.412 1.00 3.59 H new ATOM 0 HB2 LEU A 117 -13.098 2.209 6.382 1.00 3.83 H new ATOM 0 HB3 LEU A 117 -13.661 3.478 5.313 1.00 3.83 H new ATOM 0 HG LEU A 117 -13.479 4.356 7.603 1.00 4.66 H new ATOM 0 HD11 LEU A 117 -15.806 5.163 7.900 1.00 5.12 H new ATOM 0 HD12 LEU A 117 -15.332 5.196 6.185 1.00 5.12 H new ATOM 0 HD13 LEU A 117 -16.386 3.897 6.792 1.00 5.12 H new ATOM 0 HD21 LEU A 117 -14.879 3.409 9.418 1.00 4.76 H new ATOM 0 HD22 LEU A 117 -15.458 2.143 8.310 1.00 4.76 H new ATOM 0 HD23 LEU A 117 -13.744 2.193 8.786 1.00 4.76 H new ATOM 1663 N THR A 118 -16.758 2.735 4.095 1.00 3.12 N ATOM 1664 CA THR A 118 -17.205 3.048 2.709 1.00 3.08 C ATOM 1665 C THR A 118 -16.428 4.255 2.180 1.00 3.13 C ATOM 1666 O THR A 118 -16.178 5.207 2.893 1.00 3.70 O ATOM 1667 CB THR A 118 -18.701 3.371 2.719 1.00 3.62 C ATOM 1668 OG1 THR A 118 -19.051 3.945 3.971 1.00 4.06 O ATOM 1669 CG2 THR A 118 -19.507 2.089 2.502 1.00 4.04 C ATOM 0 H THR A 118 -17.452 2.903 4.823 1.00 3.12 H new ATOM 0 HA THR A 118 -17.020 2.188 2.065 1.00 3.08 H new ATOM 0 HB THR A 118 -18.924 4.076 1.918 1.00 3.62 H new ATOM 0 HG1 THR A 118 -20.008 4.154 3.979 1.00 4.06 H new ATOM 0 HG21 THR A 118 -20.572 2.323 2.510 1.00 4.04 H new ATOM 0 HG22 THR A 118 -19.239 1.649 1.541 1.00 4.04 H new ATOM 0 HG23 THR A 118 -19.285 1.380 3.300 1.00 4.04 H new ATOM 1677 N PHE A 119 -16.045 4.225 0.932 1.00 2.76 N ATOM 1678 CA PHE A 119 -15.287 5.372 0.358 1.00 3.07 C ATOM 1679 C PHE A 119 -15.178 5.205 -1.159 1.00 2.72 C ATOM 1680 O PHE A 119 -14.145 4.830 -1.678 1.00 2.65 O ATOM 1681 CB PHE A 119 -13.884 5.414 0.968 1.00 3.53 C ATOM 1682 CG PHE A 119 -13.932 6.132 2.294 1.00 4.12 C ATOM 1683 CD1 PHE A 119 -14.375 7.459 2.357 1.00 4.47 C ATOM 1684 CD2 PHE A 119 -13.533 5.471 3.462 1.00 4.69 C ATOM 1685 CE1 PHE A 119 -14.419 8.124 3.589 1.00 5.10 C ATOM 1686 CE2 PHE A 119 -13.577 6.137 4.693 1.00 5.33 C ATOM 1687 CZ PHE A 119 -14.020 7.463 4.757 1.00 5.44 C ATOM 0 H PHE A 119 -16.224 3.456 0.286 1.00 2.76 H new ATOM 0 HA PHE A 119 -15.810 6.301 0.585 1.00 3.07 H new ATOM 0 HB2 PHE A 119 -13.505 4.401 1.105 1.00 3.53 H new ATOM 0 HB3 PHE A 119 -13.197 5.923 0.292 1.00 3.53 H new ATOM 0 HD1 PHE A 119 -14.683 7.969 1.456 1.00 4.47 H new ATOM 0 HD2 PHE A 119 -13.191 4.448 3.414 1.00 4.69 H new ATOM 0 HE1 PHE A 119 -14.761 9.147 3.638 1.00 5.10 H new ATOM 0 HE2 PHE A 119 -13.269 5.627 5.594 1.00 5.33 H new ATOM 0 HZ PHE A 119 -14.054 7.976 5.707 1.00 5.44 H new ATOM 1697 N PRO A 120 -16.241 5.484 -1.861 1.00 2.96 N ATOM 1698 CA PRO A 120 -16.282 5.370 -3.347 1.00 2.86 C ATOM 1699 C PRO A 120 -15.217 6.244 -4.018 1.00 3.02 C ATOM 1700 O PRO A 120 -14.594 7.070 -3.382 1.00 3.70 O ATOM 1701 CB PRO A 120 -17.685 5.856 -3.726 1.00 3.40 C ATOM 1702 CG PRO A 120 -18.499 5.781 -2.475 1.00 4.04 C ATOM 1703 CD PRO A 120 -17.525 5.939 -1.308 1.00 3.80 C ATOM 0 HA PRO A 120 -16.078 4.351 -3.676 1.00 2.86 H new ATOM 0 HB2 PRO A 120 -17.654 6.875 -4.111 1.00 3.40 H new ATOM 0 HB3 PRO A 120 -18.115 5.232 -4.510 1.00 3.40 H new ATOM 0 HG2 PRO A 120 -19.255 6.566 -2.457 1.00 4.04 H new ATOM 0 HG3 PRO A 120 -19.027 4.829 -2.413 1.00 4.04 H new ATOM 0 HD2 PRO A 120 -17.471 6.974 -0.969 1.00 3.80 H new ATOM 0 HD3 PRO A 120 -17.827 5.338 -0.450 1.00 3.80 H new ATOM 1711 N PRO A 121 -15.015 6.060 -5.294 1.00 2.87 N ATOM 1712 CA PRO A 121 -14.013 6.838 -6.072 1.00 3.45 C ATOM 1713 C PRO A 121 -14.540 8.218 -6.471 1.00 3.18 C ATOM 1714 O PRO A 121 -13.790 9.098 -6.845 1.00 3.79 O ATOM 1715 CB PRO A 121 -13.781 5.976 -7.312 1.00 3.90 C ATOM 1716 CG PRO A 121 -15.054 5.220 -7.513 1.00 3.47 C ATOM 1717 CD PRO A 121 -15.721 5.086 -6.140 1.00 2.74 C ATOM 0 HA PRO A 121 -13.107 7.032 -5.497 1.00 3.45 H new ATOM 0 HB2 PRO A 121 -13.548 6.592 -8.181 1.00 3.90 H new ATOM 0 HB3 PRO A 121 -12.940 5.298 -7.167 1.00 3.90 H new ATOM 0 HG2 PRO A 121 -15.708 5.745 -8.209 1.00 3.47 H new ATOM 0 HG3 PRO A 121 -14.855 4.238 -7.942 1.00 3.47 H new ATOM 0 HD2 PRO A 121 -16.787 5.305 -6.193 1.00 2.74 H new ATOM 0 HD3 PRO A 121 -15.623 4.074 -5.748 1.00 2.74 H new ATOM 1725 N ASP A 122 -15.828 8.415 -6.391 1.00 2.63 N ATOM 1726 CA ASP A 122 -16.404 9.737 -6.765 1.00 2.65 C ATOM 1727 C ASP A 122 -16.908 10.449 -5.508 1.00 2.94 C ATOM 1728 O ASP A 122 -16.650 11.617 -5.299 1.00 3.74 O ATOM 1729 CB ASP A 122 -17.569 9.530 -7.736 1.00 2.79 C ATOM 1730 CG ASP A 122 -18.673 8.727 -7.045 1.00 3.42 C ATOM 1731 OD1 ASP A 122 -18.358 7.703 -6.463 1.00 3.56 O ATOM 1732 OD2 ASP A 122 -19.815 9.151 -7.110 1.00 4.14 O ATOM 0 H ASP A 122 -16.506 7.718 -6.083 1.00 2.63 H new ATOM 0 HA ASP A 122 -15.636 10.345 -7.243 1.00 2.65 H new ATOM 0 HB2 ASP A 122 -17.957 10.494 -8.065 1.00 2.79 H new ATOM 0 HB3 ASP A 122 -17.225 9.004 -8.626 1.00 2.79 H new ATOM 1737 N GLY A 123 -17.625 9.752 -4.669 1.00 2.81 N ATOM 1738 CA GLY A 123 -18.145 10.390 -3.426 1.00 3.57 C ATOM 1739 C GLY A 123 -17.080 11.322 -2.847 1.00 3.16 C ATOM 1740 O GLY A 123 -17.364 12.437 -2.455 1.00 3.47 O ATOM 0 H GLY A 123 -17.873 8.770 -4.790 1.00 2.81 H new ATOM 0 HA2 GLY A 123 -19.054 10.951 -3.645 1.00 3.57 H new ATOM 0 HA3 GLY A 123 -18.410 9.626 -2.696 1.00 3.57 H new ATOM 1744 N ASP A 124 -15.855 10.876 -2.789 1.00 2.78 N ATOM 1745 CA ASP A 124 -14.773 11.738 -2.235 1.00 2.58 C ATOM 1746 C ASP A 124 -13.738 12.022 -3.326 1.00 2.15 C ATOM 1747 O ASP A 124 -13.666 13.112 -3.858 1.00 2.31 O ATOM 1748 CB ASP A 124 -14.098 11.020 -1.065 1.00 3.01 C ATOM 1749 CG ASP A 124 -14.960 11.165 0.190 1.00 3.26 C ATOM 1750 OD1 ASP A 124 -14.840 12.182 0.853 1.00 3.59 O ATOM 1751 OD2 ASP A 124 -15.725 10.257 0.467 1.00 3.51 O ATOM 0 H ASP A 124 -15.557 9.952 -3.101 1.00 2.78 H new ATOM 0 HA ASP A 124 -15.200 12.678 -1.886 1.00 2.58 H new ATOM 0 HB2 ASP A 124 -13.959 9.966 -1.303 1.00 3.01 H new ATOM 0 HB3 ASP A 124 -13.108 11.440 -0.889 1.00 3.01 H new ATOM 1756 N ALA A 125 -12.936 11.049 -3.662 1.00 1.83 N ATOM 1757 CA ALA A 125 -11.907 11.265 -4.718 1.00 1.67 C ATOM 1758 C ALA A 125 -11.820 10.021 -5.605 1.00 1.39 C ATOM 1759 O ALA A 125 -12.265 8.952 -5.237 1.00 1.38 O ATOM 1760 CB ALA A 125 -10.549 11.518 -4.061 1.00 2.08 C ATOM 0 H ALA A 125 -12.949 10.115 -3.252 1.00 1.83 H new ATOM 0 HA ALA A 125 -12.183 12.127 -5.325 1.00 1.67 H new ATOM 0 HB1 ALA A 125 -9.795 11.676 -4.832 1.00 2.08 H new ATOM 0 HB2 ALA A 125 -10.611 12.403 -3.427 1.00 2.08 H new ATOM 0 HB3 ALA A 125 -10.272 10.656 -3.455 1.00 2.08 H new ATOM 1766 N PRO A 126 -11.246 10.167 -6.768 1.00 1.26 N ATOM 1767 CA PRO A 126 -11.087 9.048 -7.743 1.00 1.14 C ATOM 1768 C PRO A 126 -10.420 7.822 -7.113 1.00 1.05 C ATOM 1769 O PRO A 126 -10.297 6.784 -7.731 1.00 1.36 O ATOM 1770 CB PRO A 126 -10.196 9.624 -8.850 1.00 1.27 C ATOM 1771 CG PRO A 126 -9.705 10.949 -8.359 1.00 1.31 C ATOM 1772 CD PRO A 126 -10.683 11.419 -7.285 1.00 1.39 C ATOM 0 HA PRO A 126 -12.055 8.703 -8.107 1.00 1.14 H new ATOM 0 HB2 PRO A 126 -9.361 8.956 -9.062 1.00 1.27 H new ATOM 0 HB3 PRO A 126 -10.756 9.738 -9.778 1.00 1.27 H new ATOM 0 HG2 PRO A 126 -8.698 10.860 -7.951 1.00 1.31 H new ATOM 0 HG3 PRO A 126 -9.655 11.668 -9.176 1.00 1.31 H new ATOM 0 HD2 PRO A 126 -10.179 11.986 -6.503 1.00 1.39 H new ATOM 0 HD3 PRO A 126 -11.456 12.066 -7.700 1.00 1.39 H new ATOM 1780 N GLY A 127 -9.989 7.936 -5.888 1.00 1.02 N ATOM 1781 CA GLY A 127 -9.328 6.779 -5.219 1.00 1.03 C ATOM 1782 C GLY A 127 -7.910 7.172 -4.802 1.00 1.09 C ATOM 1783 O GLY A 127 -7.349 8.127 -5.299 1.00 1.19 O ATOM 0 H GLY A 127 -10.065 8.780 -5.320 1.00 1.02 H new ATOM 0 HA2 GLY A 127 -9.904 6.473 -4.345 1.00 1.03 H new ATOM 0 HA3 GLY A 127 -9.296 5.924 -5.895 1.00 1.03 H new ATOM 1787 N GLN A 128 -7.325 6.441 -3.891 1.00 1.12 N ATOM 1788 CA GLN A 128 -5.943 6.776 -3.448 1.00 1.26 C ATOM 1789 C GLN A 128 -5.208 5.498 -3.039 1.00 1.11 C ATOM 1790 O GLN A 128 -5.456 4.932 -1.994 1.00 1.11 O ATOM 1791 CB GLN A 128 -6.005 7.733 -2.255 1.00 1.53 C ATOM 1792 CG GLN A 128 -4.960 8.836 -2.433 1.00 1.64 C ATOM 1793 CD GLN A 128 -5.199 9.939 -1.401 1.00 1.87 C ATOM 1794 OE1 GLN A 128 -4.467 10.056 -0.438 1.00 2.01 O ATOM 1795 NE2 GLN A 128 -6.200 10.762 -1.563 1.00 1.99 N ATOM 0 H GLN A 128 -7.744 5.629 -3.437 1.00 1.12 H new ATOM 0 HA GLN A 128 -5.408 7.253 -4.269 1.00 1.26 H new ATOM 0 HB2 GLN A 128 -7.001 8.170 -2.176 1.00 1.53 H new ATOM 0 HB3 GLN A 128 -5.821 7.189 -1.328 1.00 1.53 H new ATOM 0 HG2 GLN A 128 -3.958 8.424 -2.315 1.00 1.64 H new ATOM 0 HG3 GLN A 128 -5.019 9.248 -3.441 1.00 1.64 H new ATOM 0 HE21 GLN A 128 -6.815 10.664 -2.371 1.00 1.99 H new ATOM 0 HE22 GLN A 128 -6.367 11.502 -0.882 1.00 1.99 H new ATOM 1804 N VAL A 129 -4.298 5.045 -3.857 1.00 1.03 N ATOM 1805 CA VAL A 129 -3.533 3.811 -3.523 1.00 0.91 C ATOM 1806 C VAL A 129 -2.071 4.022 -3.913 1.00 0.88 C ATOM 1807 O VAL A 129 -1.755 4.246 -5.065 1.00 1.00 O ATOM 1808 CB VAL A 129 -4.107 2.624 -4.301 1.00 0.94 C ATOM 1809 CG1 VAL A 129 -4.360 3.037 -5.752 1.00 1.28 C ATOM 1810 CG2 VAL A 129 -3.108 1.465 -4.269 1.00 0.89 C ATOM 0 H VAL A 129 -4.051 5.479 -4.746 1.00 1.03 H new ATOM 0 HA VAL A 129 -3.607 3.604 -2.455 1.00 0.91 H new ATOM 0 HB VAL A 129 -5.046 2.310 -3.844 1.00 0.94 H new ATOM 0 HG11 VAL A 129 -4.769 2.191 -6.305 1.00 1.28 H new ATOM 0 HG12 VAL A 129 -5.070 3.864 -5.776 1.00 1.28 H new ATOM 0 HG13 VAL A 129 -3.422 3.351 -6.210 1.00 1.28 H new ATOM 0 HG21 VAL A 129 -3.515 0.619 -4.822 1.00 0.89 H new ATOM 0 HG22 VAL A 129 -2.170 1.780 -4.726 1.00 0.89 H new ATOM 0 HG23 VAL A 129 -2.927 1.169 -3.236 1.00 0.89 H new ATOM 1820 N ALA A 130 -1.176 3.971 -2.966 1.00 0.78 N ATOM 1821 CA ALA A 130 0.257 4.193 -3.305 1.00 0.85 C ATOM 1822 C ALA A 130 1.153 3.269 -2.482 1.00 0.75 C ATOM 1823 O ALA A 130 0.938 3.059 -1.304 1.00 0.73 O ATOM 1824 CB ALA A 130 0.623 5.647 -3.011 1.00 0.98 C ATOM 0 H ALA A 130 -1.372 3.787 -1.982 1.00 0.78 H new ATOM 0 HA ALA A 130 0.407 3.975 -4.362 1.00 0.85 H new ATOM 0 HB1 ALA A 130 1.671 5.815 -3.257 1.00 0.98 H new ATOM 0 HB2 ALA A 130 -0.002 6.308 -3.612 1.00 0.98 H new ATOM 0 HB3 ALA A 130 0.461 5.856 -1.954 1.00 0.98 H new ATOM 1830 N PHE A 131 2.166 2.725 -3.100 1.00 0.75 N ATOM 1831 CA PHE A 131 3.094 1.823 -2.366 1.00 0.70 C ATOM 1832 C PHE A 131 4.287 2.643 -1.872 1.00 0.77 C ATOM 1833 O PHE A 131 5.115 3.078 -2.648 1.00 0.99 O ATOM 1834 CB PHE A 131 3.591 0.722 -3.305 1.00 0.70 C ATOM 1835 CG PHE A 131 2.479 0.302 -4.238 1.00 0.84 C ATOM 1836 CD1 PHE A 131 1.141 0.458 -3.857 1.00 1.49 C ATOM 1837 CD2 PHE A 131 2.790 -0.250 -5.486 1.00 1.29 C ATOM 1838 CE1 PHE A 131 0.115 0.060 -4.722 1.00 1.73 C ATOM 1839 CE2 PHE A 131 1.764 -0.646 -6.352 1.00 1.54 C ATOM 1840 CZ PHE A 131 0.426 -0.492 -5.970 1.00 1.48 C ATOM 0 H PHE A 131 2.390 2.868 -4.085 1.00 0.75 H new ATOM 0 HA PHE A 131 2.576 1.368 -1.522 1.00 0.70 H new ATOM 0 HB2 PHE A 131 4.445 1.080 -3.880 1.00 0.70 H new ATOM 0 HB3 PHE A 131 3.935 -0.135 -2.725 1.00 0.70 H new ATOM 0 HD1 PHE A 131 0.900 0.886 -2.895 1.00 1.49 H new ATOM 0 HD2 PHE A 131 3.822 -0.370 -5.781 1.00 1.29 H new ATOM 0 HE1 PHE A 131 -0.917 0.179 -4.426 1.00 1.73 H new ATOM 0 HE2 PHE A 131 2.005 -1.071 -7.315 1.00 1.54 H new ATOM 0 HZ PHE A 131 -0.365 -0.799 -6.638 1.00 1.48 H new ATOM 1850 N HIS A 132 4.377 2.863 -0.589 1.00 0.82 N ATOM 1851 CA HIS A 132 5.513 3.664 -0.050 1.00 0.96 C ATOM 1852 C HIS A 132 6.584 2.728 0.512 1.00 1.03 C ATOM 1853 O HIS A 132 6.340 1.965 1.426 1.00 1.41 O ATOM 1854 CB HIS A 132 5.004 4.581 1.064 1.00 1.41 C ATOM 1855 CG HIS A 132 4.506 5.868 0.467 1.00 1.36 C ATOM 1856 ND1 HIS A 132 3.288 6.425 0.821 1.00 1.70 N ATOM 1857 CD2 HIS A 132 5.051 6.721 -0.463 1.00 1.88 C ATOM 1858 CE1 HIS A 132 3.140 7.561 0.117 1.00 1.96 C ATOM 1859 NE2 HIS A 132 4.186 7.789 -0.682 1.00 2.32 N ATOM 0 H HIS A 132 3.715 2.524 0.108 1.00 0.82 H new ATOM 0 HA HIS A 132 5.944 4.264 -0.851 1.00 0.96 H new ATOM 0 HB2 HIS A 132 4.203 4.090 1.616 1.00 1.41 H new ATOM 0 HB3 HIS A 132 5.804 4.784 1.776 1.00 1.41 H new ATOM 0 HD2 HIS A 132 6.005 6.583 -0.950 1.00 1.88 H new ATOM 0 HE1 HIS A 132 2.280 8.210 0.189 1.00 1.96 H new ATOM 0 HE2 HIS A 132 4.322 8.576 -1.316 1.00 2.32 H new ATOM 1867 N LEU A 133 7.773 2.787 -0.022 1.00 1.00 N ATOM 1868 CA LEU A 133 8.863 1.908 0.485 1.00 1.39 C ATOM 1869 C LEU A 133 9.924 2.770 1.170 1.00 1.62 C ATOM 1870 O LEU A 133 10.884 2.269 1.721 1.00 2.04 O ATOM 1871 CB LEU A 133 9.499 1.147 -0.682 1.00 1.58 C ATOM 1872 CG LEU A 133 8.512 1.075 -1.849 1.00 1.41 C ATOM 1873 CD1 LEU A 133 8.567 2.374 -2.657 1.00 1.52 C ATOM 1874 CD2 LEU A 133 8.877 -0.105 -2.754 1.00 2.11 C ATOM 0 H LEU A 133 8.036 3.407 -0.788 1.00 1.00 H new ATOM 0 HA LEU A 133 8.452 1.193 1.197 1.00 1.39 H new ATOM 0 HB2 LEU A 133 10.415 1.646 -0.998 1.00 1.58 H new ATOM 0 HB3 LEU A 133 9.777 0.142 -0.365 1.00 1.58 H new ATOM 0 HG LEU A 133 7.504 0.938 -1.458 1.00 1.41 H new ATOM 0 HD11 LEU A 133 7.862 2.317 -3.486 1.00 1.52 H new ATOM 0 HD12 LEU A 133 8.303 3.214 -2.014 1.00 1.52 H new ATOM 0 HD13 LEU A 133 9.575 2.518 -3.047 1.00 1.52 H new ATOM 0 HD21 LEU A 133 8.174 -0.157 -3.586 1.00 2.11 H new ATOM 0 HD22 LEU A 133 9.887 0.032 -3.140 1.00 2.11 H new ATOM 0 HD23 LEU A 133 8.830 -1.031 -2.181 1.00 2.11 H new ATOM 1886 N GLY A 134 9.757 4.065 1.139 1.00 1.46 N ATOM 1887 CA GLY A 134 10.757 4.959 1.787 1.00 1.77 C ATOM 1888 C GLY A 134 12.165 4.513 1.395 1.00 1.08 C ATOM 1889 O GLY A 134 12.343 3.561 0.661 1.00 0.83 O ATOM 0 H GLY A 134 8.972 4.541 0.694 1.00 1.46 H new ATOM 0 HA2 GLY A 134 10.592 5.991 1.479 1.00 1.77 H new ATOM 0 HA3 GLY A 134 10.642 4.927 2.870 1.00 1.77 H new ATOM 1893 N LYS A 135 13.172 5.187 1.878 1.00 1.23 N ATOM 1894 CA LYS A 135 14.563 4.790 1.528 1.00 1.09 C ATOM 1895 C LYS A 135 15.368 4.564 2.806 1.00 1.32 C ATOM 1896 O LYS A 135 16.580 4.643 2.813 1.00 1.76 O ATOM 1897 CB LYS A 135 15.219 5.885 0.688 1.00 1.93 C ATOM 1898 CG LYS A 135 14.156 6.580 -0.166 1.00 2.37 C ATOM 1899 CD LYS A 135 14.733 6.889 -1.548 1.00 3.36 C ATOM 1900 CE LYS A 135 15.921 7.843 -1.405 1.00 4.04 C ATOM 1901 NZ LYS A 135 16.748 7.794 -2.644 1.00 5.06 N ATOM 0 H LYS A 135 13.092 5.993 2.498 1.00 1.23 H new ATOM 0 HA LYS A 135 14.539 3.866 0.950 1.00 1.09 H new ATOM 0 HB2 LYS A 135 15.711 6.610 1.337 1.00 1.93 H new ATOM 0 HB3 LYS A 135 15.990 5.455 0.049 1.00 1.93 H new ATOM 0 HG2 LYS A 135 13.277 5.942 -0.262 1.00 2.37 H new ATOM 0 HG3 LYS A 135 13.831 7.501 0.318 1.00 2.37 H new ATOM 0 HD2 LYS A 135 15.050 5.967 -2.035 1.00 3.36 H new ATOM 0 HD3 LYS A 135 13.967 7.337 -2.181 1.00 3.36 H new ATOM 0 HE2 LYS A 135 15.567 8.859 -1.231 1.00 4.04 H new ATOM 0 HE3 LYS A 135 16.524 7.564 -0.541 1.00 4.04 H new ATOM 0 HZ1 LYS A 135 17.246 8.699 -2.765 1.00 5.06 H new ATOM 0 HZ2 LYS A 135 17.443 7.024 -2.567 1.00 5.06 H new ATOM 0 HZ3 LYS A 135 16.133 7.624 -3.465 1.00 5.06 H new ATOM 1915 N ALA A 136 14.700 4.261 3.883 1.00 1.56 N ATOM 1916 CA ALA A 136 15.428 4.003 5.157 1.00 1.90 C ATOM 1917 C ALA A 136 16.192 2.690 4.998 1.00 2.22 C ATOM 1918 O ALA A 136 17.165 2.428 5.675 1.00 2.64 O ATOM 1919 CB ALA A 136 14.428 3.885 6.310 1.00 2.27 C ATOM 0 H ALA A 136 13.685 4.181 3.937 1.00 1.56 H new ATOM 0 HA ALA A 136 16.115 4.820 5.377 1.00 1.90 H new ATOM 0 HB1 ALA A 136 14.965 3.696 7.240 1.00 2.27 H new ATOM 0 HB2 ALA A 136 13.864 4.813 6.399 1.00 2.27 H new ATOM 0 HB3 ALA A 136 13.742 3.061 6.114 1.00 2.27 H new ATOM 1925 N GLY A 137 15.753 1.878 4.077 1.00 2.17 N ATOM 1926 CA GLY A 137 16.431 0.579 3.814 1.00 2.51 C ATOM 1927 C GLY A 137 16.675 0.480 2.309 1.00 1.81 C ATOM 1928 O GLY A 137 16.256 -0.455 1.658 1.00 2.11 O ATOM 0 H GLY A 137 14.941 2.063 3.487 1.00 2.17 H new ATOM 0 HA2 GLY A 137 17.373 0.522 4.359 1.00 2.51 H new ATOM 0 HA3 GLY A 137 15.814 -0.251 4.157 1.00 2.51 H new ATOM 1932 N ALA A 138 17.331 1.463 1.758 1.00 1.23 N ATOM 1933 CA ALA A 138 17.599 1.479 0.293 1.00 1.37 C ATOM 1934 C ALA A 138 17.709 0.056 -0.255 1.00 1.13 C ATOM 1935 O ALA A 138 18.046 -0.876 0.447 1.00 1.41 O ATOM 1936 CB ALA A 138 18.903 2.230 0.032 1.00 2.32 C ATOM 0 H ALA A 138 17.698 2.267 2.268 1.00 1.23 H new ATOM 0 HA ALA A 138 16.771 1.978 -0.211 1.00 1.37 H new ATOM 0 HB1 ALA A 138 19.106 2.246 -1.039 1.00 2.32 H new ATOM 0 HB2 ALA A 138 18.814 3.252 0.400 1.00 2.32 H new ATOM 0 HB3 ALA A 138 19.721 1.729 0.549 1.00 2.32 H new ATOM 1942 N TYR A 139 17.426 -0.108 -1.519 1.00 0.82 N ATOM 1943 CA TYR A 139 17.507 -1.458 -2.144 1.00 0.75 C ATOM 1944 C TYR A 139 16.993 -1.376 -3.584 1.00 0.76 C ATOM 1945 O TYR A 139 16.889 -0.308 -4.152 1.00 0.83 O ATOM 1946 CB TYR A 139 16.654 -2.451 -1.348 1.00 0.74 C ATOM 1947 CG TYR A 139 15.490 -1.738 -0.699 1.00 0.79 C ATOM 1948 CD1 TYR A 139 14.915 -0.616 -1.310 1.00 1.42 C ATOM 1949 CD2 TYR A 139 14.981 -2.208 0.518 1.00 1.41 C ATOM 1950 CE1 TYR A 139 13.836 0.036 -0.703 1.00 1.61 C ATOM 1951 CE2 TYR A 139 13.900 -1.555 1.124 1.00 1.42 C ATOM 1952 CZ TYR A 139 13.329 -0.434 0.514 1.00 1.11 C ATOM 1953 OH TYR A 139 12.264 0.210 1.112 1.00 1.32 O ATOM 0 H TYR A 139 17.140 0.641 -2.149 1.00 0.82 H new ATOM 0 HA TYR A 139 18.542 -1.799 -2.142 1.00 0.75 H new ATOM 0 HB2 TYR A 139 16.286 -3.236 -2.008 1.00 0.74 H new ATOM 0 HB3 TYR A 139 17.264 -2.935 -0.585 1.00 0.74 H new ATOM 0 HD1 TYR A 139 15.305 -0.254 -2.250 1.00 1.42 H new ATOM 0 HD2 TYR A 139 15.422 -3.074 0.989 1.00 1.41 H new ATOM 0 HE1 TYR A 139 13.394 0.902 -1.174 1.00 1.61 H new ATOM 0 HE2 TYR A 139 13.508 -1.918 2.063 1.00 1.42 H new ATOM 0 HH TYR A 139 12.317 1.171 0.926 1.00 1.32 H new ATOM 1963 N GLU A 140 16.673 -2.491 -4.181 1.00 0.80 N ATOM 1964 CA GLU A 140 16.170 -2.462 -5.583 1.00 0.87 C ATOM 1965 C GLU A 140 14.713 -2.930 -5.619 1.00 0.77 C ATOM 1966 O GLU A 140 14.398 -4.040 -5.239 1.00 0.73 O ATOM 1967 CB GLU A 140 17.024 -3.388 -6.451 1.00 1.13 C ATOM 1968 CG GLU A 140 18.263 -2.632 -6.937 1.00 0.93 C ATOM 1969 CD GLU A 140 18.975 -3.458 -8.011 1.00 0.94 C ATOM 1970 OE1 GLU A 140 19.486 -4.514 -7.678 1.00 1.25 O ATOM 1971 OE2 GLU A 140 18.997 -3.018 -9.149 1.00 1.65 O ATOM 0 H GLU A 140 16.738 -3.418 -3.760 1.00 0.80 H new ATOM 0 HA GLU A 140 16.231 -1.443 -5.966 1.00 0.87 H new ATOM 0 HB2 GLU A 140 17.322 -4.267 -5.880 1.00 1.13 H new ATOM 0 HB3 GLU A 140 16.444 -3.743 -7.303 1.00 1.13 H new ATOM 0 HG2 GLU A 140 17.975 -1.661 -7.341 1.00 0.93 H new ATOM 0 HG3 GLU A 140 18.937 -2.442 -6.102 1.00 0.93 H new ATOM 1978 N PHE A 141 13.824 -2.094 -6.083 1.00 0.77 N ATOM 1979 CA PHE A 141 12.388 -2.490 -6.156 1.00 0.75 C ATOM 1980 C PHE A 141 12.050 -2.854 -7.603 1.00 0.72 C ATOM 1981 O PHE A 141 11.962 -1.998 -8.460 1.00 0.73 O ATOM 1982 CB PHE A 141 11.512 -1.319 -5.703 1.00 0.79 C ATOM 1983 CG PHE A 141 10.211 -1.844 -5.145 1.00 0.81 C ATOM 1984 CD1 PHE A 141 10.200 -2.550 -3.937 1.00 1.64 C ATOM 1985 CD2 PHE A 141 9.013 -1.622 -5.837 1.00 1.17 C ATOM 1986 CE1 PHE A 141 8.992 -3.036 -3.420 1.00 1.68 C ATOM 1987 CE2 PHE A 141 7.806 -2.108 -5.320 1.00 1.26 C ATOM 1988 CZ PHE A 141 7.795 -2.814 -4.112 1.00 1.00 C ATOM 0 H PHE A 141 14.031 -1.152 -6.415 1.00 0.77 H new ATOM 0 HA PHE A 141 12.205 -3.346 -5.507 1.00 0.75 H new ATOM 0 HB2 PHE A 141 12.034 -0.733 -4.946 1.00 0.79 H new ATOM 0 HB3 PHE A 141 11.316 -0.652 -6.543 1.00 0.79 H new ATOM 0 HD1 PHE A 141 11.123 -2.720 -3.403 1.00 1.64 H new ATOM 0 HD2 PHE A 141 9.021 -1.076 -6.769 1.00 1.17 H new ATOM 0 HE1 PHE A 141 8.984 -3.582 -2.488 1.00 1.68 H new ATOM 0 HE2 PHE A 141 6.883 -1.938 -5.854 1.00 1.26 H new ATOM 0 HZ PHE A 141 6.863 -3.188 -3.713 1.00 1.00 H new ATOM 1998 N CYS A 142 11.879 -4.118 -7.891 1.00 0.70 N ATOM 1999 CA CYS A 142 11.569 -4.523 -9.291 1.00 0.68 C ATOM 2000 C CYS A 142 10.101 -4.934 -9.419 1.00 0.68 C ATOM 2001 O CYS A 142 9.721 -6.034 -9.067 1.00 0.74 O ATOM 2002 CB CYS A 142 12.459 -5.704 -9.680 1.00 0.68 C ATOM 2003 SG CYS A 142 14.007 -5.088 -10.388 1.00 0.72 S ATOM 0 H CYS A 142 11.941 -4.883 -7.219 1.00 0.70 H new ATOM 0 HA CYS A 142 11.755 -3.677 -9.953 1.00 0.68 H new ATOM 0 HB2 CYS A 142 12.667 -6.320 -8.805 1.00 0.68 H new ATOM 0 HB3 CYS A 142 11.944 -6.339 -10.401 1.00 0.68 H new ATOM 2008 N ILE A 143 9.277 -4.063 -9.937 1.00 0.83 N ATOM 2009 CA ILE A 143 7.837 -4.399 -10.113 1.00 0.89 C ATOM 2010 C ILE A 143 7.524 -4.465 -11.606 1.00 0.92 C ATOM 2011 O ILE A 143 8.010 -3.675 -12.392 1.00 0.91 O ATOM 2012 CB ILE A 143 6.975 -3.332 -9.429 1.00 0.95 C ATOM 2013 CG1 ILE A 143 5.895 -2.816 -10.387 1.00 1.11 C ATOM 2014 CG2 ILE A 143 7.859 -2.163 -8.990 1.00 0.92 C ATOM 2015 CD1 ILE A 143 4.993 -1.823 -9.651 1.00 1.22 C ATOM 0 H ILE A 143 9.542 -3.128 -10.247 1.00 0.83 H new ATOM 0 HA ILE A 143 7.617 -5.365 -9.658 1.00 0.89 H new ATOM 0 HB ILE A 143 6.492 -3.780 -8.560 1.00 0.95 H new ATOM 0 HG12 ILE A 143 6.358 -2.334 -11.248 1.00 1.11 H new ATOM 0 HG13 ILE A 143 5.303 -3.649 -10.767 1.00 1.11 H new ATOM 0 HG21 ILE A 143 7.245 -1.405 -8.504 1.00 0.92 H new ATOM 0 HG22 ILE A 143 8.615 -2.521 -8.291 1.00 0.92 H new ATOM 0 HG23 ILE A 143 8.348 -1.729 -9.862 1.00 0.92 H new ATOM 0 HD11 ILE A 143 4.225 -1.456 -10.332 1.00 1.22 H new ATOM 0 HD12 ILE A 143 4.520 -2.320 -8.804 1.00 1.22 H new ATOM 0 HD13 ILE A 143 5.591 -0.985 -9.292 1.00 1.22 H new ATOM 2027 N SER A 144 6.717 -5.405 -11.998 1.00 1.00 N ATOM 2028 CA SER A 144 6.368 -5.536 -13.439 1.00 1.07 C ATOM 2029 C SER A 144 4.858 -5.717 -13.584 1.00 1.14 C ATOM 2030 O SER A 144 4.327 -5.711 -14.676 1.00 1.33 O ATOM 2031 CB SER A 144 7.086 -6.750 -14.028 1.00 1.17 C ATOM 2032 OG SER A 144 6.445 -7.937 -13.580 1.00 1.28 O ATOM 0 H SER A 144 6.281 -6.092 -11.382 1.00 1.00 H new ATOM 0 HA SER A 144 6.678 -4.637 -13.971 1.00 1.07 H new ATOM 0 HB2 SER A 144 7.071 -6.703 -15.117 1.00 1.17 H new ATOM 0 HB3 SER A 144 8.133 -6.751 -13.724 1.00 1.17 H new ATOM 0 HG SER A 144 6.495 -7.987 -12.603 1.00 1.28 H new ATOM 2038 N GLN A 145 4.159 -5.880 -12.492 1.00 1.08 N ATOM 2039 CA GLN A 145 2.681 -6.061 -12.581 1.00 1.29 C ATOM 2040 C GLN A 145 2.011 -5.429 -11.361 1.00 1.38 C ATOM 2041 O GLN A 145 2.640 -5.185 -10.352 1.00 1.99 O ATOM 2042 CB GLN A 145 2.335 -7.554 -12.623 1.00 1.40 C ATOM 2043 CG GLN A 145 3.551 -8.369 -13.073 1.00 1.94 C ATOM 2044 CD GLN A 145 3.825 -8.106 -14.555 1.00 2.35 C ATOM 2045 OE1 GLN A 145 3.051 -7.444 -15.218 1.00 2.30 O ATOM 2046 NE2 GLN A 145 4.899 -8.599 -15.106 1.00 3.30 N ATOM 0 H GLN A 145 4.545 -5.896 -11.548 1.00 1.08 H new ATOM 0 HA GLN A 145 2.323 -5.580 -13.491 1.00 1.29 H new ATOM 0 HB2 GLN A 145 2.010 -7.887 -11.637 1.00 1.40 H new ATOM 0 HB3 GLN A 145 1.503 -7.722 -13.306 1.00 1.40 H new ATOM 0 HG2 GLN A 145 4.423 -8.098 -12.478 1.00 1.94 H new ATOM 0 HG3 GLN A 145 3.370 -9.431 -12.909 1.00 1.94 H new ATOM 0 HE21 GLN A 145 5.549 -9.155 -14.549 1.00 3.30 H new ATOM 0 HE22 GLN A 145 5.090 -8.429 -16.094 1.00 3.30 H new ATOM 2055 N VAL A 146 0.734 -5.164 -11.444 1.00 1.54 N ATOM 2056 CA VAL A 146 0.026 -4.553 -10.285 1.00 1.53 C ATOM 2057 C VAL A 146 -1.466 -4.430 -10.597 1.00 1.48 C ATOM 2058 O VAL A 146 -1.875 -3.628 -11.412 1.00 1.44 O ATOM 2059 CB VAL A 146 0.607 -3.167 -10.004 1.00 1.59 C ATOM 2060 CG1 VAL A 146 0.204 -2.205 -11.121 1.00 2.26 C ATOM 2061 CG2 VAL A 146 0.067 -2.653 -8.669 1.00 2.16 C ATOM 0 H VAL A 146 0.153 -5.344 -12.263 1.00 1.54 H new ATOM 0 HA VAL A 146 0.158 -5.186 -9.408 1.00 1.53 H new ATOM 0 HB VAL A 146 1.694 -3.231 -9.959 1.00 1.59 H new ATOM 0 HG11 VAL A 146 0.619 -1.218 -10.918 1.00 2.26 H new ATOM 0 HG12 VAL A 146 0.588 -2.572 -12.073 1.00 2.26 H new ATOM 0 HG13 VAL A 146 -0.883 -2.138 -11.169 1.00 2.26 H new ATOM 0 HG21 VAL A 146 0.480 -1.665 -8.466 1.00 2.16 H new ATOM 0 HG22 VAL A 146 -1.020 -2.590 -8.716 1.00 2.16 H new ATOM 0 HG23 VAL A 146 0.356 -3.338 -7.872 1.00 2.16 H new ATOM 2071 N SER A 147 -2.283 -5.216 -9.951 1.00 1.63 N ATOM 2072 CA SER A 147 -3.748 -5.143 -10.210 1.00 1.76 C ATOM 2073 C SER A 147 -4.510 -5.611 -8.967 1.00 2.04 C ATOM 2074 O SER A 147 -3.960 -6.252 -8.095 1.00 2.17 O ATOM 2075 CB SER A 147 -4.104 -6.041 -11.395 1.00 2.02 C ATOM 2076 OG SER A 147 -4.486 -7.322 -10.915 1.00 2.76 O ATOM 0 H SER A 147 -1.999 -5.906 -9.255 1.00 1.63 H new ATOM 0 HA SER A 147 -4.024 -4.114 -10.440 1.00 1.76 H new ATOM 0 HB2 SER A 147 -4.917 -5.598 -11.970 1.00 2.02 H new ATOM 0 HB3 SER A 147 -3.251 -6.131 -12.067 1.00 2.02 H new ATOM 0 HG SER A 147 -4.716 -7.900 -11.672 1.00 2.76 H new ATOM 2082 N LEU A 148 -5.773 -5.296 -8.882 1.00 2.31 N ATOM 2083 CA LEU A 148 -6.569 -5.723 -7.696 1.00 2.65 C ATOM 2084 C LEU A 148 -7.988 -6.084 -8.139 1.00 2.54 C ATOM 2085 O LEU A 148 -8.370 -5.869 -9.273 1.00 3.02 O ATOM 2086 CB LEU A 148 -6.627 -4.579 -6.683 1.00 3.24 C ATOM 2087 CG LEU A 148 -7.315 -3.368 -7.316 1.00 3.51 C ATOM 2088 CD1 LEU A 148 -8.700 -3.184 -6.693 1.00 4.57 C ATOM 2089 CD2 LEU A 148 -6.475 -2.114 -7.066 1.00 3.26 C ATOM 0 H LEU A 148 -6.288 -4.762 -9.582 1.00 2.31 H new ATOM 0 HA LEU A 148 -6.099 -6.592 -7.236 1.00 2.65 H new ATOM 0 HB2 LEU A 148 -7.171 -4.895 -5.793 1.00 3.24 H new ATOM 0 HB3 LEU A 148 -5.620 -4.312 -6.363 1.00 3.24 H new ATOM 0 HG LEU A 148 -7.417 -3.530 -8.389 1.00 3.51 H new ATOM 0 HD11 LEU A 148 -9.190 -2.321 -7.144 1.00 4.57 H new ATOM 0 HD12 LEU A 148 -9.300 -4.076 -6.871 1.00 4.57 H new ATOM 0 HD13 LEU A 148 -8.598 -3.023 -5.620 1.00 4.57 H new ATOM 0 HD21 LEU A 148 -6.966 -1.252 -7.517 1.00 3.26 H new ATOM 0 HD22 LEU A 148 -6.372 -1.953 -5.993 1.00 3.26 H new ATOM 0 HD23 LEU A 148 -5.488 -2.243 -7.510 1.00 3.26 H new ATOM 2101 N THR A 149 -8.774 -6.632 -7.253 1.00 2.09 N ATOM 2102 CA THR A 149 -10.168 -7.006 -7.623 1.00 2.24 C ATOM 2103 C THR A 149 -10.974 -7.290 -6.354 1.00 1.93 C ATOM 2104 O THR A 149 -10.544 -7.000 -5.256 1.00 1.84 O ATOM 2105 CB THR A 149 -10.143 -8.259 -8.503 1.00 2.53 C ATOM 2106 OG1 THR A 149 -11.427 -8.867 -8.493 1.00 3.07 O ATOM 2107 CG2 THR A 149 -9.105 -9.244 -7.963 1.00 2.42 C ATOM 0 H THR A 149 -8.511 -6.837 -6.289 1.00 2.09 H new ATOM 0 HA THR A 149 -10.631 -6.186 -8.171 1.00 2.24 H new ATOM 0 HB THR A 149 -9.879 -7.982 -9.524 1.00 2.53 H new ATOM 0 HG1 THR A 149 -11.652 -9.171 -9.397 1.00 3.07 H new ATOM 0 HG21 THR A 149 -9.088 -10.135 -8.590 1.00 2.42 H new ATOM 0 HG22 THR A 149 -8.121 -8.776 -7.971 1.00 2.42 H new ATOM 0 HG23 THR A 149 -9.365 -9.524 -6.942 1.00 2.42 H new ATOM 2115 N THR A 150 -12.141 -7.857 -6.495 1.00 1.92 N ATOM 2116 CA THR A 150 -12.972 -8.159 -5.297 1.00 1.72 C ATOM 2117 C THR A 150 -13.767 -9.444 -5.538 1.00 1.75 C ATOM 2118 O THR A 150 -13.243 -10.427 -6.022 1.00 2.00 O ATOM 2119 CB THR A 150 -13.941 -7.001 -5.043 1.00 1.59 C ATOM 2120 OG1 THR A 150 -14.674 -7.251 -3.853 1.00 1.52 O ATOM 2121 CG2 THR A 150 -14.907 -6.873 -6.222 1.00 1.66 C ATOM 0 H THR A 150 -12.554 -8.124 -7.389 1.00 1.92 H new ATOM 0 HA THR A 150 -12.325 -8.289 -4.430 1.00 1.72 H new ATOM 0 HB THR A 150 -13.378 -6.074 -4.935 1.00 1.59 H new ATOM 0 HG1 THR A 150 -14.052 -7.411 -3.113 1.00 1.52 H new ATOM 0 HG21 THR A 150 -15.596 -6.048 -6.040 1.00 1.66 H new ATOM 0 HG22 THR A 150 -14.343 -6.680 -7.135 1.00 1.66 H new ATOM 0 HG23 THR A 150 -15.471 -7.799 -6.333 1.00 1.66 H new