USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1069 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 84 CYS SG : rot -171:sc= -0.825! USER MOD Set 1.2: A 115 TYR OH : rot -20:sc= 1.21 USER MOD Set 2.1: A 91 THR OG1 : rot 123:sc= 1.24 USER MOD Set 2.2: A 116 THR OG1 : rot 172:sc= 1.11 USER MOD Set 3.1: A 89 GLN : amide:sc= 0.149 K(o=0.18,f=-3!) USER MOD Set 3.2: A 117 THR OG1 : rot 180:sc= 0.0158 USER MOD Set 3.3: A 119 THR OG1 : rot 180:sc= 0.0151 USER MOD Set 4.1: A 35 CYS SG : rot -87:sc= 0.33 USER MOD Set 4.2: A 96 GLN : amide:sc= 0.527 X(o=0.86,f=1.2) USER MOD Set 5.1: A 7 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 9 THR OG1 : rot -109:sc= 1.5 USER MOD Single : A 3 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.53) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.157! C(o=-0.16!,f=-6.3!) USER MOD Single : A 16 ASN : amide:sc= -0.648 K(o=-0.65,f=-1.4!) USER MOD Single : A 17 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.089) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 142:sc= -0.311 (180deg=-1.92) USER MOD Single : A 23 HIS : no HD1:sc= -0.0036 X(o=-0.0036,f=-0.0036) USER MOD Single : A 24 SER OG : rot 180:sc= 0.03 USER MOD Single : A 25 HIS : no HE2:sc= 0.555 K(o=0.56,f=-3.2!) USER MOD Single : A 36 THR OG1 : rot 38:sc= 0.669 USER MOD Single : A 39 SER OG : rot 180:sc= 0.089 USER MOD Single : A 48 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : A 49 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2.9!) USER MOD Single : A 55 TYR OH : rot 16:sc= 1.27 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc=-0.00174 X(o=-0.0017,f=-0.046) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -64:sc= 0.247 USER MOD Single : A 68 TYR OH : rot 77:sc= 1.22 USER MOD Single : A 73 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.023) USER MOD Single : A 74 MET CE :methyl 155:sc= -0.164 (180deg=-0.377) USER MOD Single : A 86 SER OG : rot 180:sc= 0.00271 USER MOD Single : A 87 MET CE :methyl 171:sc= -0.214 (180deg=-0.308) USER MOD Single : A 88 TYR OH : rot -5:sc= 0.202 USER MOD Single : A 94 GLN : amide:sc= 0.154 X(o=0.15,f=-0.0056) USER MOD Single : A 109 SER OG : rot 170:sc=-0.00453 USER MOD Single : A 111 GLN : amide:sc= -0.739 X(o=-0.74,f=-0.74) USER MOD Single : A 112 CYS SG : rot -131:sc= 0.276 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 130:sc= 0 USER MOD Single : A 130 HIS : no HE2:sc= -0.0845 X(o=-0.084,f=-0.17) USER MOD Single : A 132 SER OG : rot 126:sc= 1.28 USER MOD Single : A 133 TYR OH : rot 130:sc= -0.254 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.028) USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.0226 K(o=-0.023,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -13.908 -3.371 6.578 1.00 0.00 N ATOM 19 CA ALA A 2 -13.189 -2.103 6.503 1.00 0.00 C ATOM 20 C ALA A 2 -12.820 -1.781 5.056 1.00 0.00 C ATOM 21 O ALA A 2 -12.954 -2.633 4.175 1.00 0.00 O ATOM 22 CB ALA A 2 -11.936 -2.210 7.380 1.00 0.00 C ATOM 0 HA ALA A 2 -13.821 -1.291 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.382 -1.272 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.229 -2.414 8.410 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.305 -3.020 7.015 1.00 0.00 H new ATOM 28 N HIS A 3 -12.321 -0.565 4.826 1.00 0.00 N ATOM 29 CA HIS A 3 -11.851 -0.082 3.536 1.00 0.00 C ATOM 30 C HIS A 3 -10.382 0.279 3.682 1.00 0.00 C ATOM 31 O HIS A 3 -9.985 0.955 4.640 1.00 0.00 O ATOM 32 CB HIS A 3 -12.704 1.109 3.070 1.00 0.00 C ATOM 33 CG HIS A 3 -14.144 0.709 2.864 1.00 0.00 C ATOM 34 ND1 HIS A 3 -15.262 1.282 3.432 1.00 0.00 N ATOM 35 CD2 HIS A 3 -14.557 -0.368 2.130 1.00 0.00 C ATOM 36 CE1 HIS A 3 -16.323 0.549 3.053 1.00 0.00 C ATOM 37 NE2 HIS A 3 -15.941 -0.488 2.291 1.00 0.00 N ATOM 0 H HIS A 3 -12.232 0.133 5.564 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.951 -0.850 2.769 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.649 1.909 3.809 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.299 1.506 2.139 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -13.927 -1.011 1.533 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.346 0.765 3.325 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.541 -1.218 1.906 1.00 0.00 H new ATOM 45 N ILE A 4 -9.566 -0.204 2.752 1.00 0.00 N ATOM 46 CA ILE A 4 -8.134 0.052 2.724 1.00 0.00 C ATOM 47 C ILE A 4 -7.772 0.679 1.384 1.00 0.00 C ATOM 48 O ILE A 4 -8.639 0.908 0.537 1.00 0.00 O ATOM 49 CB ILE A 4 -7.327 -1.216 3.079 1.00 0.00 C ATOM 50 CG1 ILE A 4 -7.492 -2.359 2.057 1.00 0.00 C ATOM 51 CG2 ILE A 4 -7.729 -1.683 4.485 1.00 0.00 C ATOM 52 CD1 ILE A 4 -6.531 -3.523 2.311 1.00 0.00 C ATOM 0 H ILE A 4 -9.888 -0.794 1.985 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.859 0.770 3.497 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.270 -0.950 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.518 -2.726 2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.326 -1.969 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.165 -2.578 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.513 -0.895 5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.795 -1.908 4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.692 -4.298 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.503 -3.166 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.713 -3.935 3.304 1.00 0.00 H new ATOM 64 N PHE A 5 -6.503 1.026 1.210 1.00 0.00 N ATOM 65 CA PHE A 5 -5.996 1.533 -0.046 1.00 0.00 C ATOM 66 C PHE A 5 -4.723 0.771 -0.366 1.00 0.00 C ATOM 67 O PHE A 5 -3.861 0.621 0.501 1.00 0.00 O ATOM 68 CB PHE A 5 -5.792 3.040 0.054 1.00 0.00 C ATOM 69 CG PHE A 5 -5.246 3.638 -1.217 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.072 3.694 -2.352 1.00 0.00 C ATOM 71 CD2 PHE A 5 -3.912 4.078 -1.293 1.00 0.00 C ATOM 72 CE1 PHE A 5 -5.584 4.223 -3.552 1.00 0.00 C ATOM 73 CE2 PHE A 5 -3.421 4.598 -2.502 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.264 4.693 -3.621 1.00 0.00 C ATOM 0 H PHE A 5 -5.798 0.961 1.944 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.700 1.379 -0.864 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.742 3.516 0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.109 3.256 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.087 3.328 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.269 4.016 -0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.222 4.269 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.394 4.925 -2.571 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.895 5.129 -4.538 1.00 0.00 H new ATOM 84 N VAL A 6 -4.622 0.248 -1.586 1.00 0.00 N ATOM 85 CA VAL A 6 -3.435 -0.434 -2.057 1.00 0.00 C ATOM 86 C VAL A 6 -2.654 0.609 -2.835 1.00 0.00 C ATOM 87 O VAL A 6 -3.236 1.332 -3.643 1.00 0.00 O ATOM 88 CB VAL A 6 -3.776 -1.691 -2.886 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.358 -1.423 -4.281 1.00 0.00 C ATOM 90 CG2 VAL A 6 -2.525 -2.556 -3.052 1.00 0.00 C ATOM 0 H VAL A 6 -5.372 0.290 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.837 -0.825 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.558 -2.193 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.562 -2.371 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.284 -0.856 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.642 -0.851 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.770 -3.442 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.753 -1.984 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.160 -2.859 -2.071 1.00 0.00 H new ATOM 100 N TYR A 7 -1.348 0.656 -2.612 1.00 0.00 N ATOM 101 CA TYR A 7 -0.425 1.343 -3.486 1.00 0.00 C ATOM 102 C TYR A 7 -0.294 0.507 -4.756 1.00 0.00 C ATOM 103 O TYR A 7 -0.919 0.812 -5.771 1.00 0.00 O ATOM 104 CB TYR A 7 0.905 1.593 -2.756 1.00 0.00 C ATOM 105 CG TYR A 7 1.551 0.413 -2.033 1.00 0.00 C ATOM 106 CD1 TYR A 7 1.004 -0.084 -0.834 1.00 0.00 C ATOM 107 CD2 TYR A 7 2.749 -0.143 -2.519 1.00 0.00 C ATOM 108 CE1 TYR A 7 1.628 -1.130 -0.136 1.00 0.00 C ATOM 109 CE2 TYR A 7 3.428 -1.125 -1.781 1.00 0.00 C ATOM 110 CZ TYR A 7 2.855 -1.647 -0.603 1.00 0.00 C ATOM 111 OH TYR A 7 3.472 -2.659 0.060 1.00 0.00 O ATOM 0 H TYR A 7 -0.901 0.212 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.784 2.332 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 7 1.621 1.973 -3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.743 2.386 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.092 0.345 -0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 7 3.149 0.188 -3.466 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.171 -1.537 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.391 -1.481 -2.116 1.00 0.00 H new ATOM 0 HH TYR A 7 2.799 -3.220 0.499 1.00 0.00 H new ATOM 121 N GLY A 8 0.482 -0.578 -4.708 1.00 0.00 N ATOM 122 CA GLY A 8 0.779 -1.368 -5.891 1.00 0.00 C ATOM 123 C GLY A 8 0.776 -2.869 -5.653 1.00 0.00 C ATOM 124 O GLY A 8 0.655 -3.638 -6.605 1.00 0.00 O ATOM 0 H GLY A 8 0.916 -0.926 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.048 -1.132 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.756 -1.074 -6.275 1.00 0.00 H new ATOM 128 N THR A 9 0.904 -3.358 -4.422 1.00 0.00 N ATOM 129 CA THR A 9 1.447 -4.690 -4.199 1.00 0.00 C ATOM 130 C THR A 9 0.441 -5.788 -4.498 1.00 0.00 C ATOM 131 O THR A 9 0.819 -6.941 -4.699 1.00 0.00 O ATOM 132 CB THR A 9 2.013 -4.757 -2.777 1.00 0.00 C ATOM 133 OG1 THR A 9 1.265 -3.909 -1.926 1.00 0.00 O ATOM 134 CG2 THR A 9 3.463 -4.288 -2.858 1.00 0.00 C ATOM 0 H THR A 9 0.642 -2.856 -3.574 1.00 0.00 H new ATOM 0 HA THR A 9 2.259 -4.871 -4.904 1.00 0.00 H new ATOM 0 HB THR A 9 1.958 -5.768 -2.373 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.809 -3.133 -1.677 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.911 -4.318 -1.865 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.020 -4.943 -3.528 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.495 -3.267 -3.239 1.00 0.00 H new ATOM 142 N LEU A 10 -0.824 -5.409 -4.576 1.00 0.00 N ATOM 143 CA LEU A 10 -1.947 -6.246 -4.907 1.00 0.00 C ATOM 144 C LEU A 10 -2.695 -5.582 -6.081 1.00 0.00 C ATOM 145 O LEU A 10 -3.828 -5.958 -6.341 1.00 0.00 O ATOM 146 CB LEU A 10 -2.867 -6.420 -3.678 1.00 0.00 C ATOM 147 CG LEU A 10 -2.338 -6.803 -2.266 1.00 0.00 C ATOM 148 CD1 LEU A 10 -2.191 -8.308 -2.039 1.00 0.00 C ATOM 149 CD2 LEU A 10 -1.099 -6.120 -1.698 1.00 0.00 C ATOM 0 H LEU A 10 -1.103 -4.444 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.615 -7.242 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.406 -5.480 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.602 -7.178 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.169 -6.379 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.817 -8.489 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.161 -8.790 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.490 -8.719 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.886 -6.519 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.248 -6.306 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.275 -5.047 -1.627 1.00 0.00 H new ATOM 161 N LYS A 11 -2.106 -4.588 -6.782 1.00 0.00 N ATOM 162 CA LYS A 11 -2.733 -3.973 -7.957 1.00 0.00 C ATOM 163 C LYS A 11 -2.057 -4.495 -9.224 1.00 0.00 C ATOM 164 O LYS A 11 -2.497 -5.535 -9.712 1.00 0.00 O ATOM 165 CB LYS A 11 -2.753 -2.427 -7.851 1.00 0.00 C ATOM 166 CG LYS A 11 -3.581 -1.785 -8.984 1.00 0.00 C ATOM 167 CD LYS A 11 -3.451 -0.255 -9.059 1.00 0.00 C ATOM 168 CE LYS A 11 -4.091 0.266 -10.360 1.00 0.00 C ATOM 169 NZ LYS A 11 -3.845 1.708 -10.604 1.00 0.00 N ATOM 0 H LYS A 11 -1.193 -4.198 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.783 -4.263 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.168 -2.134 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.732 -2.047 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.269 -2.214 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.631 -2.045 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.937 0.202 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.400 0.031 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.703 -0.308 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.166 0.090 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.302 1.992 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.239 2.265 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.821 1.879 -10.671 1.00 0.00 H new ATOM 183 N ARG A 12 -0.953 -3.897 -9.712 1.00 0.00 N ATOM 184 CA ARG A 12 -0.555 -4.095 -11.105 1.00 0.00 C ATOM 185 C ARG A 12 -0.237 -5.548 -11.387 1.00 0.00 C ATOM 186 O ARG A 12 -0.833 -6.131 -12.283 1.00 0.00 O ATOM 187 CB ARG A 12 0.606 -3.162 -11.499 1.00 0.00 C ATOM 188 CG ARG A 12 1.215 -3.458 -12.873 1.00 0.00 C ATOM 189 CD ARG A 12 0.247 -3.306 -14.052 1.00 0.00 C ATOM 190 NE ARG A 12 0.780 -3.960 -15.259 1.00 0.00 N ATOM 191 CZ ARG A 12 0.510 -5.210 -15.667 1.00 0.00 C ATOM 192 NH1 ARG A 12 -0.297 -6.015 -14.989 1.00 0.00 N ATOM 193 NH2 ARG A 12 1.066 -5.701 -16.767 1.00 0.00 N ATOM 0 H ARG A 12 -0.339 -3.288 -9.171 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.405 -3.826 -11.733 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.249 -2.132 -11.487 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.389 -3.237 -10.744 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.064 -2.792 -13.030 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.605 -4.476 -12.870 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.718 -3.742 -13.794 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.075 -2.248 -14.253 1.00 0.00 H new ATOM 0 HE ARG A 12 1.414 -3.411 -15.840 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.735 -5.690 -14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.479 -6.959 -15.329 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.707 -5.127 -17.314 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.852 -6.653 -17.066 1.00 0.00 H new ATOM 207 N GLY A 13 0.738 -6.108 -10.687 1.00 0.00 N ATOM 208 CA GLY A 13 1.264 -7.417 -11.005 1.00 0.00 C ATOM 209 C GLY A 13 2.468 -7.615 -10.119 1.00 0.00 C ATOM 210 O GLY A 13 3.606 -7.535 -10.570 1.00 0.00 O ATOM 0 H GLY A 13 1.183 -5.664 -9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.517 -8.190 -10.825 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.541 -7.480 -12.057 1.00 0.00 H new ATOM 214 N GLN A 14 2.205 -7.756 -8.824 1.00 0.00 N ATOM 215 CA GLN A 14 3.207 -7.863 -7.784 1.00 0.00 C ATOM 216 C GLN A 14 3.067 -9.233 -7.118 1.00 0.00 C ATOM 217 O GLN A 14 1.964 -9.784 -7.075 1.00 0.00 O ATOM 218 CB GLN A 14 3.024 -6.706 -6.795 1.00 0.00 C ATOM 219 CG GLN A 14 3.964 -5.528 -7.066 1.00 0.00 C ATOM 220 CD GLN A 14 3.690 -4.817 -8.389 1.00 0.00 C ATOM 221 OE1 GLN A 14 4.510 -4.832 -9.293 1.00 0.00 O ATOM 222 NE2 GLN A 14 2.536 -4.200 -8.557 1.00 0.00 N ATOM 0 H GLN A 14 1.252 -7.800 -8.463 1.00 0.00 H new ATOM 0 HA GLN A 14 4.216 -7.788 -8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.992 -6.357 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.193 -7.072 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.875 -4.809 -6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.993 -5.887 -7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.850 -4.187 -7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.330 -3.736 -9.442 1.00 0.00 H new ATOM 231 N PRO A 15 4.149 -9.758 -6.518 1.00 0.00 N ATOM 232 CA PRO A 15 4.201 -11.119 -5.981 1.00 0.00 C ATOM 233 C PRO A 15 3.109 -11.349 -4.934 1.00 0.00 C ATOM 234 O PRO A 15 2.485 -12.411 -4.873 1.00 0.00 O ATOM 235 CB PRO A 15 5.611 -11.271 -5.382 1.00 0.00 C ATOM 236 CG PRO A 15 6.117 -9.840 -5.228 1.00 0.00 C ATOM 237 CD PRO A 15 5.414 -9.070 -6.324 1.00 0.00 C ATOM 0 HA PRO A 15 4.018 -11.865 -6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.581 -11.787 -4.422 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.260 -11.853 -6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.877 -9.438 -4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.200 -9.788 -5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.257 -8.030 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.003 -9.062 -7.241 1.00 0.00 H new ATOM 245 N ASN A 16 2.850 -10.310 -4.143 1.00 0.00 N ATOM 246 CA ASN A 16 1.972 -10.310 -2.985 1.00 0.00 C ATOM 247 C ASN A 16 0.526 -10.588 -3.368 1.00 0.00 C ATOM 248 O ASN A 16 -0.212 -11.063 -2.518 1.00 0.00 O ATOM 249 CB ASN A 16 2.054 -8.944 -2.281 1.00 0.00 C ATOM 250 CG ASN A 16 3.495 -8.453 -2.202 1.00 0.00 C ATOM 251 OD1 ASN A 16 4.321 -8.968 -1.458 1.00 0.00 O ATOM 252 ND2 ASN A 16 3.850 -7.564 -3.116 1.00 0.00 N ATOM 0 H ASN A 16 3.273 -9.396 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 16 2.303 -11.106 -2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.448 -8.216 -2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.638 -9.023 -1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.829 -7.294 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.145 -7.149 -3.724 1.00 0.00 H new ATOM 259 N HIS A 17 0.102 -10.300 -4.608 1.00 0.00 N ATOM 260 CA HIS A 17 -1.301 -10.330 -5.023 1.00 0.00 C ATOM 261 C HIS A 17 -1.965 -11.668 -4.661 1.00 0.00 C ATOM 262 O HIS A 17 -3.121 -11.672 -4.238 1.00 0.00 O ATOM 263 CB HIS A 17 -1.389 -9.979 -6.524 1.00 0.00 C ATOM 264 CG HIS A 17 -2.768 -9.620 -7.045 1.00 0.00 C ATOM 265 ND1 HIS A 17 -3.107 -8.498 -7.779 1.00 0.00 N ATOM 266 CD2 HIS A 17 -3.913 -10.357 -6.902 1.00 0.00 C ATOM 267 CE1 HIS A 17 -4.429 -8.542 -8.020 1.00 0.00 C ATOM 268 NE2 HIS A 17 -4.962 -9.670 -7.517 1.00 0.00 N ATOM 0 H HIS A 17 0.738 -10.036 -5.360 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.869 -9.577 -4.476 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.719 -9.142 -6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.016 -10.827 -7.097 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.992 -11.309 -6.398 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.985 -7.779 -8.544 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.937 -9.965 -7.573 1.00 0.00 H new ATOM 276 N LYS A 18 -1.238 -12.795 -4.718 1.00 0.00 N ATOM 277 CA LYS A 18 -1.787 -14.128 -4.461 1.00 0.00 C ATOM 278 C LYS A 18 -2.510 -14.265 -3.127 1.00 0.00 C ATOM 279 O LYS A 18 -3.378 -15.121 -3.006 1.00 0.00 O ATOM 280 CB LYS A 18 -0.693 -15.196 -4.616 1.00 0.00 C ATOM 281 CG LYS A 18 0.364 -15.261 -3.497 1.00 0.00 C ATOM 282 CD LYS A 18 -0.092 -16.061 -2.266 1.00 0.00 C ATOM 283 CE LYS A 18 1.069 -16.819 -1.616 1.00 0.00 C ATOM 284 NZ LYS A 18 1.319 -18.126 -2.256 1.00 0.00 N ATOM 0 H LYS A 18 -0.244 -12.802 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.558 -14.286 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.175 -16.171 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.179 -15.024 -5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.275 -15.709 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.617 -14.247 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.537 -15.384 -1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.868 -16.768 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.972 -16.212 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.853 -16.971 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.114 -18.599 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.468 -18.718 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.552 -17.982 -3.259 1.00 0.00 H new ATOM 298 N VAL A 19 -2.167 -13.451 -2.130 1.00 0.00 N ATOM 299 CA VAL A 19 -2.739 -13.551 -0.796 1.00 0.00 C ATOM 300 C VAL A 19 -4.257 -13.417 -0.880 1.00 0.00 C ATOM 301 O VAL A 19 -4.977 -14.281 -0.390 1.00 0.00 O ATOM 302 CB VAL A 19 -2.077 -12.519 0.140 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.568 -12.809 0.237 1.00 0.00 C ATOM 304 CG2 VAL A 19 -2.340 -11.062 -0.254 1.00 0.00 C ATOM 0 H VAL A 19 -1.482 -12.702 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.535 -14.530 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.541 -12.633 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.099 -12.080 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.415 -13.812 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.120 -12.740 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.841 -10.398 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.953 -10.881 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.413 -10.869 -0.238 1.00 0.00 H new ATOM 314 N MET A 20 -4.749 -12.398 -1.588 1.00 0.00 N ATOM 315 CA MET A 20 -6.168 -12.088 -1.665 1.00 0.00 C ATOM 316 C MET A 20 -6.917 -12.998 -2.645 1.00 0.00 C ATOM 317 O MET A 20 -8.070 -12.712 -2.971 1.00 0.00 O ATOM 318 CB MET A 20 -6.353 -10.605 -2.018 1.00 0.00 C ATOM 319 CG MET A 20 -5.897 -10.222 -3.435 1.00 0.00 C ATOM 320 SD MET A 20 -6.583 -8.672 -4.083 1.00 0.00 S ATOM 321 CE MET A 20 -6.193 -7.543 -2.720 1.00 0.00 C ATOM 0 H MET A 20 -4.163 -11.761 -2.128 1.00 0.00 H new ATOM 0 HA MET A 20 -6.608 -12.279 -0.686 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.406 -10.348 -1.908 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.800 -10.002 -1.297 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.810 -10.148 -3.441 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.165 -11.030 -4.115 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.902 -6.573 -3.123 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.070 -7.423 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.372 -7.953 -2.132 1.00 0.00 H new ATOM 331 N LEU A 21 -6.265 -14.030 -3.188 1.00 0.00 N ATOM 332 CA LEU A 21 -6.868 -14.947 -4.148 1.00 0.00 C ATOM 333 C LEU A 21 -7.317 -16.241 -3.464 1.00 0.00 C ATOM 334 O LEU A 21 -7.758 -17.165 -4.149 1.00 0.00 O ATOM 335 CB LEU A 21 -5.863 -15.277 -5.264 1.00 0.00 C ATOM 336 CG LEU A 21 -5.307 -14.081 -6.040 1.00 0.00 C ATOM 337 CD1 LEU A 21 -4.361 -14.588 -7.132 1.00 0.00 C ATOM 338 CD2 LEU A 21 -6.419 -13.233 -6.666 1.00 0.00 C ATOM 0 H LEU A 21 -5.294 -14.251 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.743 -14.460 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.027 -15.820 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.344 -15.952 -5.972 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.769 -13.443 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.961 -13.741 -7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.541 -15.141 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.907 -15.243 -7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.978 -12.396 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.999 -13.846 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.073 -12.854 -5.881 1.00 0.00 H new ATOM 350 N ASP A 22 -7.173 -16.335 -2.144 1.00 0.00 N ATOM 351 CA ASP A 22 -7.648 -17.426 -1.310 1.00 0.00 C ATOM 352 C ASP A 22 -8.359 -16.737 -0.155 1.00 0.00 C ATOM 353 O ASP A 22 -7.708 -16.109 0.680 1.00 0.00 O ATOM 354 CB ASP A 22 -6.489 -18.290 -0.784 1.00 0.00 C ATOM 355 CG ASP A 22 -5.947 -19.293 -1.804 1.00 0.00 C ATOM 356 OD1 ASP A 22 -6.576 -20.359 -1.989 1.00 0.00 O ATOM 357 OD2 ASP A 22 -4.887 -19.037 -2.424 1.00 0.00 O ATOM 0 H ASP A 22 -6.697 -15.613 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.295 -18.104 -1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.677 -17.636 -0.466 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.826 -18.832 0.100 1.00 0.00 H new ATOM 362 N HIS A 23 -9.689 -16.830 -0.109 1.00 0.00 N ATOM 363 CA HIS A 23 -10.542 -16.215 0.914 1.00 0.00 C ATOM 364 C HIS A 23 -10.107 -16.617 2.328 1.00 0.00 C ATOM 365 O HIS A 23 -10.340 -15.887 3.292 1.00 0.00 O ATOM 366 CB HIS A 23 -12.016 -16.599 0.671 1.00 0.00 C ATOM 367 CG HIS A 23 -12.955 -16.159 1.773 1.00 0.00 C ATOM 368 ND1 HIS A 23 -13.700 -16.982 2.591 1.00 0.00 N ATOM 369 CD2 HIS A 23 -13.133 -14.875 2.208 1.00 0.00 C ATOM 370 CE1 HIS A 23 -14.314 -16.209 3.503 1.00 0.00 C ATOM 371 NE2 HIS A 23 -13.978 -14.914 3.329 1.00 0.00 N ATOM 0 H HIS A 23 -10.221 -17.352 -0.805 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.437 -15.133 0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.345 -16.159 -0.270 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.085 -17.681 0.559 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.701 -13.989 1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.983 -16.574 4.268 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -14.278 -14.122 3.898 1.00 0.00 H new ATOM 379 N SER A 24 -9.437 -17.756 2.478 1.00 0.00 N ATOM 380 CA SER A 24 -8.928 -18.236 3.749 1.00 0.00 C ATOM 381 C SER A 24 -7.798 -17.355 4.315 1.00 0.00 C ATOM 382 O SER A 24 -7.581 -17.371 5.527 1.00 0.00 O ATOM 383 CB SER A 24 -8.502 -19.683 3.585 1.00 0.00 C ATOM 384 OG SER A 24 -9.381 -20.370 2.706 1.00 0.00 O ATOM 0 H SER A 24 -9.231 -18.381 1.699 1.00 0.00 H new ATOM 0 HA SER A 24 -9.725 -18.175 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.485 -19.726 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.493 -20.177 4.557 1.00 0.00 H new ATOM 0 HG SER A 24 -9.088 -21.301 2.612 1.00 0.00 H new ATOM 390 N HIS A 25 -7.096 -16.568 3.486 1.00 0.00 N ATOM 391 CA HIS A 25 -6.196 -15.507 3.959 1.00 0.00 C ATOM 392 C HIS A 25 -6.954 -14.202 4.225 1.00 0.00 C ATOM 393 O HIS A 25 -6.373 -13.248 4.733 1.00 0.00 O ATOM 394 CB HIS A 25 -5.110 -15.197 2.924 1.00 0.00 C ATOM 395 CG HIS A 25 -4.336 -16.371 2.390 1.00 0.00 C ATOM 396 ND1 HIS A 25 -3.954 -16.510 1.083 1.00 0.00 N ATOM 397 CD2 HIS A 25 -3.874 -17.459 3.076 1.00 0.00 C ATOM 398 CE1 HIS A 25 -3.262 -17.653 0.974 1.00 0.00 C ATOM 399 NE2 HIS A 25 -3.183 -18.276 2.167 1.00 0.00 N ATOM 0 H HIS A 25 -7.137 -16.649 2.470 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.750 -15.879 4.882 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.577 -14.685 2.083 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.403 -14.497 3.370 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.160 -15.859 0.325 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.015 -17.655 4.129 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.828 -18.024 0.057 1.00 0.00 H new ATOM 407 N GLY A 26 -8.236 -14.138 3.875 1.00 0.00 N ATOM 408 CA GLY A 26 -9.134 -13.033 4.131 1.00 0.00 C ATOM 409 C GLY A 26 -9.863 -12.591 2.869 1.00 0.00 C ATOM 410 O GLY A 26 -9.531 -12.979 1.747 1.00 0.00 O ATOM 0 H GLY A 26 -8.694 -14.902 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.862 -13.325 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.570 -12.193 4.538 1.00 0.00 H new ATOM 414 N LEU A 27 -10.881 -11.767 3.084 1.00 0.00 N ATOM 415 CA LEU A 27 -11.788 -11.242 2.080 1.00 0.00 C ATOM 416 C LEU A 27 -11.144 -10.041 1.404 1.00 0.00 C ATOM 417 O LEU A 27 -10.600 -9.166 2.083 1.00 0.00 O ATOM 418 CB LEU A 27 -13.081 -10.848 2.809 1.00 0.00 C ATOM 419 CG LEU A 27 -14.358 -10.531 2.015 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.360 -9.172 1.316 1.00 0.00 C ATOM 421 CD2 LEU A 27 -14.679 -11.644 1.020 1.00 0.00 C ATOM 0 H LEU A 27 -11.106 -11.430 4.020 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.009 -11.976 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.323 -11.659 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.854 -9.972 3.416 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.145 -10.473 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.301 -9.039 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.248 -8.381 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.532 -9.125 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.587 -11.392 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.852 -11.755 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.827 -12.581 1.557 1.00 0.00 H new ATOM 433 N ALA A 28 -11.274 -9.955 0.084 1.00 0.00 N ATOM 434 CA ALA A 28 -11.063 -8.740 -0.686 1.00 0.00 C ATOM 435 C ALA A 28 -12.222 -8.575 -1.669 1.00 0.00 C ATOM 436 O ALA A 28 -12.674 -9.569 -2.238 1.00 0.00 O ATOM 437 CB ALA A 28 -9.724 -8.833 -1.414 1.00 0.00 C ATOM 0 H ALA A 28 -11.537 -10.753 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.034 -7.868 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.561 -7.924 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.921 -8.948 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.733 -9.693 -2.084 1.00 0.00 H new ATOM 443 N ALA A 29 -12.688 -7.345 -1.894 1.00 0.00 N ATOM 444 CA ALA A 29 -13.579 -7.006 -3.001 1.00 0.00 C ATOM 445 C ALA A 29 -13.164 -5.644 -3.540 1.00 0.00 C ATOM 446 O ALA A 29 -12.801 -4.776 -2.746 1.00 0.00 O ATOM 447 CB ALA A 29 -15.031 -6.978 -2.525 1.00 0.00 C ATOM 0 H ALA A 29 -12.453 -6.547 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.505 -7.756 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.683 -6.724 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.305 -7.958 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.142 -6.231 -1.739 1.00 0.00 H new ATOM 453 N PHE A 30 -13.193 -5.463 -4.860 1.00 0.00 N ATOM 454 CA PHE A 30 -12.890 -4.222 -5.559 1.00 0.00 C ATOM 455 C PHE A 30 -13.982 -3.214 -5.209 1.00 0.00 C ATOM 456 O PHE A 30 -15.045 -3.166 -5.830 1.00 0.00 O ATOM 457 CB PHE A 30 -12.782 -4.488 -7.071 1.00 0.00 C ATOM 458 CG PHE A 30 -12.660 -3.245 -7.934 1.00 0.00 C ATOM 459 CD1 PHE A 30 -11.440 -2.549 -8.013 1.00 0.00 C ATOM 460 CD2 PHE A 30 -13.768 -2.799 -8.681 1.00 0.00 C ATOM 461 CE1 PHE A 30 -11.337 -1.415 -8.836 1.00 0.00 C ATOM 462 CE2 PHE A 30 -13.667 -1.651 -9.483 1.00 0.00 C ATOM 463 CZ PHE A 30 -12.451 -0.955 -9.557 1.00 0.00 C ATOM 0 H PHE A 30 -13.441 -6.218 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.929 -3.811 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.915 -5.124 -7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.661 -5.049 -7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.586 -2.885 -7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.700 -3.343 -8.637 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.395 -0.893 -8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.524 -1.304 -10.042 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.372 -0.067 -10.167 1.00 0.00 H new ATOM 473 N ARG A 31 -13.723 -2.392 -4.201 1.00 0.00 N ATOM 474 CA ARG A 31 -14.651 -1.417 -3.660 1.00 0.00 C ATOM 475 C ARG A 31 -14.273 -0.065 -4.243 1.00 0.00 C ATOM 476 O ARG A 31 -14.071 0.906 -3.517 1.00 0.00 O ATOM 477 CB ARG A 31 -14.569 -1.510 -2.125 1.00 0.00 C ATOM 478 CG ARG A 31 -15.649 -0.741 -1.350 1.00 0.00 C ATOM 479 CD ARG A 31 -17.078 -1.122 -1.736 1.00 0.00 C ATOM 480 NE ARG A 31 -17.393 -2.554 -1.523 1.00 0.00 N ATOM 481 CZ ARG A 31 -18.056 -3.354 -2.369 1.00 0.00 C ATOM 482 NH1 ARG A 31 -18.550 -2.880 -3.506 1.00 0.00 N ATOM 483 NH2 ARG A 31 -18.218 -4.633 -2.055 1.00 0.00 N ATOM 0 H ARG A 31 -12.823 -2.389 -3.721 1.00 0.00 H new ATOM 0 HA ARG A 31 -15.694 -1.591 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.623 -2.561 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.592 -1.144 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.512 -0.918 -0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -15.511 0.327 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.775 -0.516 -1.157 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.239 -0.876 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.075 -2.971 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.427 -1.896 -3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.053 -3.500 -4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.840 -4.995 -1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.721 -5.254 -2.689 1.00 0.00 H new ATOM 497 N GLY A 32 -14.194 -0.009 -5.572 1.00 0.00 N ATOM 498 CA GLY A 32 -13.787 1.199 -6.244 1.00 0.00 C ATOM 499 C GLY A 32 -12.270 1.327 -6.303 1.00 0.00 C ATOM 500 O GLY A 32 -11.512 0.382 -6.068 1.00 0.00 O ATOM 0 H GLY A 32 -14.408 -0.790 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.193 1.207 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.205 2.062 -5.726 1.00 0.00 H new ATOM 504 N ARG A 33 -11.807 2.508 -6.701 1.00 0.00 N ATOM 505 CA ARG A 33 -10.383 2.786 -6.915 1.00 0.00 C ATOM 506 C ARG A 33 -10.054 4.205 -6.482 1.00 0.00 C ATOM 507 O ARG A 33 -10.972 4.946 -6.145 1.00 0.00 O ATOM 508 CB ARG A 33 -10.012 2.445 -8.363 1.00 0.00 C ATOM 509 CG ARG A 33 -10.555 3.390 -9.440 1.00 0.00 C ATOM 510 CD ARG A 33 -10.652 2.645 -10.779 1.00 0.00 C ATOM 511 NE ARG A 33 -10.162 3.472 -11.885 1.00 0.00 N ATOM 512 CZ ARG A 33 -10.869 4.100 -12.831 1.00 0.00 C ATOM 513 NH1 ARG A 33 -12.198 4.051 -12.887 1.00 0.00 N ATOM 514 NH2 ARG A 33 -10.196 4.816 -13.718 1.00 0.00 N ATOM 0 H ARG A 33 -12.411 3.308 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.758 2.150 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.925 2.423 -8.442 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.368 1.438 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.537 3.764 -9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.901 4.256 -9.541 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.073 1.723 -10.727 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.688 2.361 -10.965 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.150 3.583 -11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.719 3.519 -12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.696 4.546 -13.627 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.179 4.872 -13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.694 5.312 -14.457 1.00 0.00 H new ATOM 528 N GLY A 34 -8.781 4.613 -6.463 1.00 0.00 N ATOM 529 CA GLY A 34 -8.445 5.887 -5.839 1.00 0.00 C ATOM 530 C GLY A 34 -7.005 6.309 -5.970 1.00 0.00 C ATOM 531 O GLY A 34 -6.177 5.619 -6.566 1.00 0.00 O ATOM 0 H GLY A 34 -7.995 4.098 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.075 6.663 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.695 5.831 -4.780 1.00 0.00 H new ATOM 535 N CYS A 35 -6.726 7.471 -5.392 1.00 0.00 N ATOM 536 CA CYS A 35 -5.379 7.952 -5.172 1.00 0.00 C ATOM 537 C CYS A 35 -5.252 8.642 -3.815 1.00 0.00 C ATOM 538 O CYS A 35 -6.258 9.081 -3.269 1.00 0.00 O ATOM 539 CB CYS A 35 -4.975 8.873 -6.320 1.00 0.00 C ATOM 540 SG CYS A 35 -5.650 10.549 -6.282 1.00 0.00 S ATOM 0 H CYS A 35 -7.446 8.112 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.695 7.104 -5.153 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.887 8.943 -6.335 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.277 8.404 -7.257 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.816 10.561 -6.858 1.00 0.00 H new ATOM 546 N THR A 36 -4.044 8.795 -3.274 1.00 0.00 N ATOM 547 CA THR A 36 -3.833 9.630 -2.099 1.00 0.00 C ATOM 548 C THR A 36 -3.742 11.075 -2.600 1.00 0.00 C ATOM 549 O THR A 36 -2.678 11.494 -3.035 1.00 0.00 O ATOM 550 CB THR A 36 -2.619 9.144 -1.263 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.356 9.386 -1.852 1.00 0.00 O ATOM 552 CG2 THR A 36 -2.672 7.634 -1.004 1.00 0.00 C ATOM 0 H THR A 36 -3.199 8.351 -3.633 1.00 0.00 H new ATOM 0 HA THR A 36 -4.660 9.562 -1.393 1.00 0.00 H new ATOM 0 HB THR A 36 -2.708 9.728 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.367 10.255 -2.305 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.804 7.335 -0.416 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.583 7.390 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.667 7.101 -1.955 1.00 0.00 H new ATOM 560 N VAL A 37 -4.834 11.845 -2.613 1.00 0.00 N ATOM 561 CA VAL A 37 -4.737 13.281 -2.916 1.00 0.00 C ATOM 562 C VAL A 37 -3.887 14.005 -1.866 1.00 0.00 C ATOM 563 O VAL A 37 -3.292 15.054 -2.125 1.00 0.00 O ATOM 564 CB VAL A 37 -6.117 13.940 -3.040 1.00 0.00 C ATOM 565 CG1 VAL A 37 -6.615 13.778 -4.480 1.00 0.00 C ATOM 566 CG2 VAL A 37 -7.144 13.424 -2.018 1.00 0.00 C ATOM 0 H VAL A 37 -5.778 11.510 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.246 13.370 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.004 14.998 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.596 14.243 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.914 14.258 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.690 12.718 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.095 13.936 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.284 12.351 -2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.782 13.619 -1.008 1.00 0.00 H new ATOM 576 N GLU A 38 -3.847 13.449 -0.661 1.00 0.00 N ATOM 577 CA GLU A 38 -2.841 13.723 0.338 1.00 0.00 C ATOM 578 C GLU A 38 -1.496 13.199 -0.197 1.00 0.00 C ATOM 579 O GLU A 38 -1.318 12.004 -0.458 1.00 0.00 O ATOM 580 CB GLU A 38 -3.287 13.085 1.665 1.00 0.00 C ATOM 581 CG GLU A 38 -3.310 14.093 2.821 1.00 0.00 C ATOM 582 CD GLU A 38 -4.076 13.604 4.056 1.00 0.00 C ATOM 583 OE1 GLU A 38 -3.949 12.419 4.452 1.00 0.00 O ATOM 584 OE2 GLU A 38 -4.793 14.463 4.626 1.00 0.00 O ATOM 0 H GLU A 38 -4.543 12.772 -0.349 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.714 14.787 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.281 12.655 1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.614 12.265 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.284 14.324 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.760 15.022 2.471 1.00 0.00 H new ATOM 591 N SER A 39 -0.559 14.124 -0.392 1.00 0.00 N ATOM 592 CA SER A 39 0.785 13.894 -0.908 1.00 0.00 C ATOM 593 C SER A 39 1.641 13.208 0.155 1.00 0.00 C ATOM 594 O SER A 39 1.824 13.783 1.227 1.00 0.00 O ATOM 595 CB SER A 39 1.444 15.239 -1.247 1.00 0.00 C ATOM 596 OG SER A 39 0.533 16.309 -1.448 1.00 0.00 O ATOM 0 H SER A 39 -0.728 15.108 -0.182 1.00 0.00 H new ATOM 0 HA SER A 39 0.712 13.267 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.127 15.507 -0.441 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.046 15.117 -2.148 1.00 0.00 H new ATOM 0 HG SER A 39 1.030 17.127 -1.657 1.00 0.00 H new ATOM 602 N PHE A 40 2.181 12.018 -0.080 1.00 0.00 N ATOM 603 CA PHE A 40 3.004 11.344 0.929 1.00 0.00 C ATOM 604 C PHE A 40 4.370 11.059 0.305 1.00 0.00 C ATOM 605 O PHE A 40 4.500 11.047 -0.921 1.00 0.00 O ATOM 606 CB PHE A 40 2.335 10.029 1.332 1.00 0.00 C ATOM 607 CG PHE A 40 1.244 10.156 2.359 1.00 0.00 C ATOM 608 CD1 PHE A 40 1.511 10.522 3.690 1.00 0.00 C ATOM 609 CD2 PHE A 40 -0.079 9.953 1.939 1.00 0.00 C ATOM 610 CE1 PHE A 40 0.455 10.645 4.614 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.126 10.111 2.850 1.00 0.00 C ATOM 612 CZ PHE A 40 -0.869 10.431 4.188 1.00 0.00 C ATOM 0 H PHE A 40 2.068 11.500 -0.951 1.00 0.00 H new ATOM 0 HA PHE A 40 3.116 11.968 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.919 9.562 0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.099 9.354 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.527 10.709 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.287 9.676 0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.660 10.902 5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.146 9.985 2.518 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.684 10.513 4.891 1.00 0.00 H new ATOM 622 N PRO A 41 5.389 10.790 1.124 1.00 0.00 N ATOM 623 CA PRO A 41 6.700 10.344 0.692 1.00 0.00 C ATOM 624 C PRO A 41 6.647 8.845 0.384 1.00 0.00 C ATOM 625 O PRO A 41 6.789 8.026 1.294 1.00 0.00 O ATOM 626 CB PRO A 41 7.624 10.658 1.874 1.00 0.00 C ATOM 627 CG PRO A 41 6.684 10.566 3.070 1.00 0.00 C ATOM 628 CD PRO A 41 5.358 11.044 2.548 1.00 0.00 C ATOM 0 HA PRO A 41 7.051 10.833 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.444 9.943 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.071 11.648 1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.618 9.544 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.032 11.186 3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.534 10.512 3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.214 12.105 2.754 1.00 0.00 H new ATOM 636 N LEU A 42 6.425 8.471 -0.881 1.00 0.00 N ATOM 637 CA LEU A 42 6.686 7.107 -1.337 1.00 0.00 C ATOM 638 C LEU A 42 8.130 7.082 -1.799 1.00 0.00 C ATOM 639 O LEU A 42 8.451 7.714 -2.800 1.00 0.00 O ATOM 640 CB LEU A 42 5.732 6.681 -2.470 1.00 0.00 C ATOM 641 CG LEU A 42 6.201 5.461 -3.286 1.00 0.00 C ATOM 642 CD1 LEU A 42 6.485 4.252 -2.390 1.00 0.00 C ATOM 643 CD2 LEU A 42 5.130 5.117 -4.328 1.00 0.00 C ATOM 0 H LEU A 42 6.066 9.095 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 42 6.514 6.396 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.756 6.459 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.597 7.524 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 42 7.137 5.715 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.813 3.413 -3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.267 4.505 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.577 3.976 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.453 4.254 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.193 4.883 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.982 5.969 -4.992 1.00 0.00 H new ATOM 655 N VAL A 43 8.984 6.371 -1.074 1.00 0.00 N ATOM 656 CA VAL A 43 10.416 6.296 -1.322 1.00 0.00 C ATOM 657 C VAL A 43 10.807 4.817 -1.453 1.00 0.00 C ATOM 658 O VAL A 43 10.214 3.981 -0.774 1.00 0.00 O ATOM 659 CB VAL A 43 11.140 7.021 -0.164 1.00 0.00 C ATOM 660 CG1 VAL A 43 10.932 8.535 -0.267 1.00 0.00 C ATOM 661 CG2 VAL A 43 10.661 6.604 1.243 1.00 0.00 C ATOM 0 H VAL A 43 8.689 5.814 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 43 10.707 6.789 -2.250 1.00 0.00 H new ATOM 0 HB VAL A 43 12.186 6.736 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.448 9.030 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.333 8.894 -1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.867 8.760 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.219 7.159 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.598 6.822 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.827 5.536 1.382 1.00 0.00 H new ATOM 671 N ILE A 44 11.783 4.462 -2.303 1.00 0.00 N ATOM 672 CA ILE A 44 12.268 3.080 -2.427 1.00 0.00 C ATOM 673 C ILE A 44 13.546 2.954 -1.606 1.00 0.00 C ATOM 674 O ILE A 44 14.510 3.683 -1.853 1.00 0.00 O ATOM 675 CB ILE A 44 12.450 2.622 -3.892 1.00 0.00 C ATOM 676 CG1 ILE A 44 11.137 2.775 -4.708 1.00 0.00 C ATOM 677 CG2 ILE A 44 12.904 1.138 -3.941 1.00 0.00 C ATOM 678 CD1 ILE A 44 11.348 3.582 -5.991 1.00 0.00 C ATOM 0 H ILE A 44 12.256 5.122 -2.921 1.00 0.00 H new ATOM 0 HA ILE A 44 11.511 2.401 -2.034 1.00 0.00 H new ATOM 0 HB ILE A 44 13.213 3.260 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.750 1.788 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.383 3.265 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.028 0.830 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.852 1.030 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.151 0.511 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.404 3.663 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.709 4.579 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 44 12.082 3.079 -6.621 1.00 0.00 H new ATOM 690 N ALA A 45 13.559 2.035 -0.637 1.00 0.00 N ATOM 691 CA ALA A 45 14.696 1.786 0.233 1.00 0.00 C ATOM 692 C ALA A 45 14.877 0.286 0.473 1.00 0.00 C ATOM 693 O ALA A 45 14.211 -0.551 -0.144 1.00 0.00 O ATOM 694 CB ALA A 45 14.509 2.561 1.542 1.00 0.00 C ATOM 0 H ALA A 45 12.759 1.434 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 45 15.609 2.139 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.360 2.377 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.440 3.627 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.594 2.230 2.033 1.00 0.00 H new ATOM 700 N GLY A 46 15.790 -0.044 1.385 1.00 0.00 N ATOM 701 CA GLY A 46 16.115 -1.395 1.799 1.00 0.00 C ATOM 702 C GLY A 46 16.877 -2.152 0.709 1.00 0.00 C ATOM 703 O GLY A 46 16.737 -1.895 -0.491 1.00 0.00 O ATOM 0 H GLY A 46 16.344 0.659 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.716 -1.363 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.198 -1.932 2.042 1.00 0.00 H new ATOM 707 N GLU A 47 17.642 -3.159 1.120 1.00 0.00 N ATOM 708 CA GLU A 47 18.478 -3.935 0.210 1.00 0.00 C ATOM 709 C GLU A 47 17.666 -4.982 -0.554 1.00 0.00 C ATOM 710 O GLU A 47 18.184 -5.632 -1.463 1.00 0.00 O ATOM 711 CB GLU A 47 19.616 -4.559 1.030 1.00 0.00 C ATOM 712 CG GLU A 47 20.762 -5.163 0.206 1.00 0.00 C ATOM 713 CD GLU A 47 21.251 -4.288 -0.947 1.00 0.00 C ATOM 714 OE1 GLU A 47 21.205 -3.036 -0.880 1.00 0.00 O ATOM 715 OE2 GLU A 47 21.648 -4.870 -1.981 1.00 0.00 O ATOM 0 H GLU A 47 17.700 -3.460 2.093 1.00 0.00 H new ATOM 0 HA GLU A 47 18.900 -3.284 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 47 20.028 -3.795 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.198 -5.339 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 47 21.601 -5.366 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.435 -6.122 -0.197 1.00 0.00 H new ATOM 722 N HIS A 48 16.387 -5.130 -0.208 1.00 0.00 N ATOM 723 CA HIS A 48 15.443 -5.984 -0.903 1.00 0.00 C ATOM 724 C HIS A 48 14.428 -5.180 -1.728 1.00 0.00 C ATOM 725 O HIS A 48 13.474 -5.776 -2.233 1.00 0.00 O ATOM 726 CB HIS A 48 14.783 -6.937 0.105 1.00 0.00 C ATOM 727 CG HIS A 48 15.560 -8.197 0.311 1.00 0.00 C ATOM 728 ND1 HIS A 48 15.360 -9.425 -0.280 1.00 0.00 N ATOM 729 CD2 HIS A 48 16.601 -8.308 1.168 1.00 0.00 C ATOM 730 CE1 HIS A 48 16.292 -10.261 0.205 1.00 0.00 C ATOM 731 NE2 HIS A 48 17.093 -9.612 1.072 1.00 0.00 N ATOM 0 H HIS A 48 15.974 -4.642 0.587 1.00 0.00 H new ATOM 0 HA HIS A 48 15.981 -6.586 -1.635 1.00 0.00 H new ATOM 0 HB2 HIS A 48 14.671 -6.425 1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 48 13.781 -7.187 -0.242 1.00 0.00 H new ATOM 0 HD1 HIS A 48 14.637 -9.657 -0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 48 16.983 -7.529 1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 48 16.386 -11.303 -0.062 1.00 0.00 H new ATOM 739 N ASN A 49 14.615 -3.857 -1.884 1.00 0.00 N ATOM 740 CA ASN A 49 13.777 -2.978 -2.704 1.00 0.00 C ATOM 741 C ASN A 49 12.381 -2.979 -2.089 1.00 0.00 C ATOM 742 O ASN A 49 11.396 -3.435 -2.672 1.00 0.00 O ATOM 743 CB ASN A 49 13.797 -3.366 -4.198 1.00 0.00 C ATOM 744 CG ASN A 49 15.203 -3.509 -4.777 1.00 0.00 C ATOM 745 OD1 ASN A 49 16.052 -4.226 -4.257 1.00 0.00 O ATOM 746 ND2 ASN A 49 15.530 -2.821 -5.852 1.00 0.00 N ATOM 0 H ASN A 49 15.379 -3.359 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 49 14.171 -1.962 -2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.263 -4.308 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.254 -2.611 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.473 -2.891 -6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 49 14.840 -2.218 -6.301 1.00 0.00 H new ATOM 753 N ILE A 50 12.330 -2.522 -0.845 1.00 0.00 N ATOM 754 CA ILE A 50 11.189 -2.455 0.040 1.00 0.00 C ATOM 755 C ILE A 50 10.856 -0.959 0.104 1.00 0.00 C ATOM 756 O ILE A 50 11.525 -0.250 0.856 1.00 0.00 O ATOM 757 CB ILE A 50 11.492 -3.080 1.427 1.00 0.00 C ATOM 758 CG1 ILE A 50 12.046 -4.521 1.313 1.00 0.00 C ATOM 759 CG2 ILE A 50 10.186 -3.107 2.241 1.00 0.00 C ATOM 760 CD1 ILE A 50 12.490 -5.118 2.655 1.00 0.00 C ATOM 0 H ILE A 50 13.168 -2.156 -0.394 1.00 0.00 H new ATOM 0 HA ILE A 50 10.340 -3.037 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 50 12.255 -2.473 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.280 -5.162 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.893 -4.522 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.377 -3.544 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.812 -2.090 2.363 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.442 -3.706 1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.866 -6.129 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.278 -4.500 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.641 -5.150 3.338 1.00 0.00 H new ATOM 772 N PRO A 51 10.035 -0.396 -0.801 1.00 0.00 N ATOM 773 CA PRO A 51 9.638 0.993 -0.667 1.00 0.00 C ATOM 774 C PRO A 51 8.809 1.174 0.600 1.00 0.00 C ATOM 775 O PRO A 51 8.203 0.218 1.081 1.00 0.00 O ATOM 776 CB PRO A 51 8.837 1.300 -1.933 1.00 0.00 C ATOM 777 CG PRO A 51 8.118 -0.019 -2.165 1.00 0.00 C ATOM 778 CD PRO A 51 9.170 -1.056 -1.765 1.00 0.00 C ATOM 0 HA PRO A 51 10.484 1.673 -0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.141 2.126 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.481 1.569 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.218 -0.101 -1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.811 -0.135 -3.205 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.702 -1.939 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.737 -1.391 -2.633 1.00 0.00 H new ATOM 786 N TRP A 52 8.761 2.391 1.129 1.00 0.00 N ATOM 787 CA TRP A 52 8.010 2.698 2.331 1.00 0.00 C ATOM 788 C TRP A 52 7.190 3.944 2.072 1.00 0.00 C ATOM 789 O TRP A 52 7.618 4.851 1.349 1.00 0.00 O ATOM 790 CB TRP A 52 8.951 2.924 3.524 1.00 0.00 C ATOM 791 CG TRP A 52 9.868 1.792 3.877 1.00 0.00 C ATOM 792 CD1 TRP A 52 10.959 1.434 3.170 1.00 0.00 C ATOM 793 CD2 TRP A 52 9.798 0.841 4.981 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.541 0.318 3.726 1.00 0.00 N ATOM 795 CE2 TRP A 52 10.879 -0.082 4.863 1.00 0.00 C ATOM 796 CE3 TRP A 52 8.921 0.651 6.066 1.00 0.00 C ATOM 797 CZ2 TRP A 52 11.088 -1.123 5.779 1.00 0.00 C ATOM 798 CZ3 TRP A 52 9.106 -0.399 6.980 1.00 0.00 C ATOM 799 CH2 TRP A 52 10.197 -1.277 6.852 1.00 0.00 C ATOM 0 H TRP A 52 9.247 3.195 0.730 1.00 0.00 H new ATOM 0 HA TRP A 52 7.359 1.859 2.578 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.560 3.804 3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.343 3.156 4.399 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.324 1.949 2.294 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.360 -0.153 3.343 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.089 1.327 6.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.923 -1.797 5.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.403 -0.534 7.789 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.348 -2.065 7.575 1.00 0.00 H new ATOM 810 N LEU A 53 6.047 4.020 2.748 1.00 0.00 N ATOM 811 CA LEU A 53 5.234 5.209 2.836 1.00 0.00 C ATOM 812 C LEU A 53 5.387 5.759 4.234 1.00 0.00 C ATOM 813 O LEU A 53 4.857 5.225 5.212 1.00 0.00 O ATOM 814 CB LEU A 53 3.782 4.886 2.477 1.00 0.00 C ATOM 815 CG LEU A 53 2.969 6.141 2.152 1.00 0.00 C ATOM 816 CD1 LEU A 53 3.284 6.644 0.746 1.00 0.00 C ATOM 817 CD2 LEU A 53 1.481 5.810 2.267 1.00 0.00 C ATOM 0 H LEU A 53 5.658 3.229 3.261 1.00 0.00 H new ATOM 0 HA LEU A 53 5.556 5.968 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.764 4.212 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.314 4.358 3.308 1.00 0.00 H new ATOM 0 HG LEU A 53 3.232 6.929 2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.694 7.537 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.345 6.885 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.039 5.870 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.892 6.698 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.230 5.016 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.259 5.480 3.282 1.00 0.00 H new ATOM 829 N LEU A 54 6.199 6.800 4.344 1.00 0.00 N ATOM 830 CA LEU A 54 6.385 7.459 5.622 1.00 0.00 C ATOM 831 C LEU A 54 5.109 8.277 5.885 1.00 0.00 C ATOM 832 O LEU A 54 4.486 8.783 4.940 1.00 0.00 O ATOM 833 CB LEU A 54 7.662 8.314 5.627 1.00 0.00 C ATOM 834 CG LEU A 54 8.868 7.831 4.788 1.00 0.00 C ATOM 835 CD1 LEU A 54 10.036 8.812 4.938 1.00 0.00 C ATOM 836 CD2 LEU A 54 9.354 6.429 5.159 1.00 0.00 C ATOM 0 H LEU A 54 6.732 7.201 3.572 1.00 0.00 H new ATOM 0 HA LEU A 54 6.529 6.738 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.395 9.313 5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.993 8.412 6.661 1.00 0.00 H new ATOM 0 HG LEU A 54 8.518 7.789 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.881 8.465 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.729 9.799 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.329 8.871 5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.201 6.159 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.661 6.415 6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.547 5.712 5.008 1.00 0.00 H new ATOM 848 N TYR A 55 4.682 8.400 7.143 1.00 0.00 N ATOM 849 CA TYR A 55 3.446 9.105 7.473 1.00 0.00 C ATOM 850 C TYR A 55 3.711 10.610 7.513 1.00 0.00 C ATOM 851 O TYR A 55 4.026 11.155 8.573 1.00 0.00 O ATOM 852 CB TYR A 55 2.812 8.537 8.755 1.00 0.00 C ATOM 853 CG TYR A 55 1.364 8.945 8.994 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.396 8.772 7.982 1.00 0.00 C ATOM 855 CD2 TYR A 55 0.963 9.451 10.246 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.956 9.077 8.217 1.00 0.00 C ATOM 857 CE2 TYR A 55 -0.392 9.732 10.498 1.00 0.00 C ATOM 858 CZ TYR A 55 -1.361 9.517 9.494 1.00 0.00 C ATOM 859 OH TYR A 55 -2.669 9.769 9.760 1.00 0.00 O ATOM 0 H TYR A 55 5.176 8.019 7.950 1.00 0.00 H new ATOM 0 HA TYR A 55 2.700 8.942 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.865 7.449 8.717 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.409 8.856 9.609 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.698 8.400 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.700 9.624 11.016 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.681 8.975 7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.692 10.114 11.463 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.228 9.364 9.064 1.00 0.00 H new ATOM 869 N LEU A 56 3.642 11.281 6.356 1.00 0.00 N ATOM 870 CA LEU A 56 3.919 12.714 6.244 1.00 0.00 C ATOM 871 C LEU A 56 2.883 13.382 5.341 1.00 0.00 C ATOM 872 O LEU A 56 3.104 13.426 4.128 1.00 0.00 O ATOM 873 CB LEU A 56 5.358 12.994 5.771 1.00 0.00 C ATOM 874 CG LEU A 56 5.947 14.317 6.299 1.00 0.00 C ATOM 875 CD1 LEU A 56 4.989 15.520 6.301 1.00 0.00 C ATOM 876 CD2 LEU A 56 6.488 14.112 7.712 1.00 0.00 C ATOM 0 H LEU A 56 3.392 10.842 5.470 1.00 0.00 H new ATOM 0 HA LEU A 56 3.838 13.150 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.000 12.171 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.374 13.011 4.681 1.00 0.00 H new ATOM 0 HG LEU A 56 6.736 14.572 5.591 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.506 16.396 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.654 15.720 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.127 15.298 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.904 15.049 8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.679 13.790 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.268 13.351 7.696 1.00 0.00 H new ATOM 888 N PRO A 57 1.725 13.812 5.865 1.00 0.00 N ATOM 889 CA PRO A 57 0.695 14.391 5.028 1.00 0.00 C ATOM 890 C PRO A 57 1.206 15.638 4.305 1.00 0.00 C ATOM 891 O PRO A 57 1.843 16.489 4.933 1.00 0.00 O ATOM 892 CB PRO A 57 -0.517 14.653 5.920 1.00 0.00 C ATOM 893 CG PRO A 57 0.102 14.752 7.308 1.00 0.00 C ATOM 894 CD PRO A 57 1.281 13.777 7.247 1.00 0.00 C ATOM 0 HA PRO A 57 0.403 13.710 4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.034 15.571 5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.247 13.845 5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.432 15.767 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.609 14.473 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.079 14.079 7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.978 12.772 7.539 1.00 0.00 H new ATOM 902 N GLY A 58 0.947 15.770 3.000 1.00 0.00 N ATOM 903 CA GLY A 58 1.345 16.955 2.256 1.00 0.00 C ATOM 904 C GLY A 58 2.851 17.067 1.986 1.00 0.00 C ATOM 905 O GLY A 58 3.315 18.155 1.644 1.00 0.00 O ATOM 0 H GLY A 58 0.463 15.066 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.817 16.963 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.022 17.839 2.806 1.00 0.00 H new ATOM 909 N LYS A 59 3.641 15.994 2.104 1.00 0.00 N ATOM 910 CA LYS A 59 5.030 15.952 1.639 1.00 0.00 C ATOM 911 C LYS A 59 5.086 14.871 0.575 1.00 0.00 C ATOM 912 O LYS A 59 4.797 13.734 0.905 1.00 0.00 O ATOM 913 CB LYS A 59 5.931 15.608 2.837 1.00 0.00 C ATOM 914 CG LYS A 59 7.384 15.246 2.486 1.00 0.00 C ATOM 915 CD LYS A 59 8.229 16.446 2.052 1.00 0.00 C ATOM 916 CE LYS A 59 8.589 17.308 3.263 1.00 0.00 C ATOM 917 NZ LYS A 59 9.606 18.318 2.924 1.00 0.00 N ATOM 0 H LYS A 59 3.329 15.121 2.530 1.00 0.00 H new ATOM 0 HA LYS A 59 5.370 16.901 1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.941 16.458 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.486 14.772 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.852 14.778 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.382 14.506 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.138 16.100 1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.679 17.042 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.693 17.804 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.960 16.672 4.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.827 18.885 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.469 17.843 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.241 18.940 2.175 1.00 0.00 H new ATOM 931 N GLY A 60 5.487 15.166 -0.658 1.00 0.00 N ATOM 932 CA GLY A 60 5.710 14.153 -1.682 1.00 0.00 C ATOM 933 C GLY A 60 4.652 14.184 -2.773 1.00 0.00 C ATOM 934 O GLY A 60 4.315 15.268 -3.255 1.00 0.00 O ATOM 0 H GLY A 60 5.667 16.119 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.693 14.303 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.719 13.167 -1.217 1.00 0.00 H new ATOM 938 N HIS A 61 4.202 13.020 -3.244 1.00 0.00 N ATOM 939 CA HIS A 61 3.255 12.896 -4.352 1.00 0.00 C ATOM 940 C HIS A 61 2.048 12.042 -3.988 1.00 0.00 C ATOM 941 O HIS A 61 2.005 11.397 -2.940 1.00 0.00 O ATOM 942 CB HIS A 61 3.929 12.278 -5.582 1.00 0.00 C ATOM 943 CG HIS A 61 4.787 13.205 -6.373 1.00 0.00 C ATOM 944 ND1 HIS A 61 4.433 14.455 -6.826 1.00 0.00 N ATOM 945 CD2 HIS A 61 5.985 12.865 -6.923 1.00 0.00 C ATOM 946 CE1 HIS A 61 5.430 14.894 -7.609 1.00 0.00 C ATOM 947 NE2 HIS A 61 6.408 13.966 -7.680 1.00 0.00 N ATOM 0 H HIS A 61 4.491 12.121 -2.859 1.00 0.00 H new ATOM 0 HA HIS A 61 2.916 13.908 -4.575 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.538 11.435 -5.256 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.155 11.878 -6.237 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.508 11.928 -6.800 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.448 15.851 -8.110 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.288 14.050 -8.188 1.00 0.00 H new ATOM 955 N CYS A 62 1.081 12.051 -4.902 1.00 0.00 N ATOM 956 CA CYS A 62 -0.184 11.357 -4.826 1.00 0.00 C ATOM 957 C CYS A 62 -0.052 9.948 -5.389 1.00 0.00 C ATOM 958 O CYS A 62 0.054 9.772 -6.601 1.00 0.00 O ATOM 959 CB CYS A 62 -1.224 12.183 -5.594 1.00 0.00 C ATOM 960 SG CYS A 62 -1.245 13.882 -4.939 1.00 0.00 S ATOM 0 H CYS A 62 1.175 12.580 -5.769 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.503 11.252 -3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.984 12.194 -6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.211 11.730 -5.495 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.124 14.587 -5.588 1.00 0.00 H new ATOM 966 N VAL A 63 -0.029 8.941 -4.521 1.00 0.00 N ATOM 967 CA VAL A 63 0.053 7.553 -4.948 1.00 0.00 C ATOM 968 C VAL A 63 -1.292 7.149 -5.537 1.00 0.00 C ATOM 969 O VAL A 63 -2.314 7.152 -4.849 1.00 0.00 O ATOM 970 CB VAL A 63 0.510 6.653 -3.791 1.00 0.00 C ATOM 971 CG1 VAL A 63 0.424 5.160 -4.123 1.00 0.00 C ATOM 972 CG2 VAL A 63 1.973 6.963 -3.485 1.00 0.00 C ATOM 0 H VAL A 63 -0.066 9.065 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 63 0.808 7.432 -5.725 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.152 6.856 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.760 4.577 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.608 4.898 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.058 4.941 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.315 6.332 -2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.579 6.768 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.071 8.011 -3.202 1.00 0.00 H new ATOM 982 N THR A 64 -1.293 6.807 -6.818 1.00 0.00 N ATOM 983 CA THR A 64 -2.411 6.154 -7.482 1.00 0.00 C ATOM 984 C THR A 64 -2.527 4.704 -6.979 1.00 0.00 C ATOM 985 O THR A 64 -1.537 4.145 -6.495 1.00 0.00 O ATOM 986 CB THR A 64 -2.206 6.261 -9.001 1.00 0.00 C ATOM 987 OG1 THR A 64 -0.974 5.703 -9.431 1.00 0.00 O ATOM 988 CG2 THR A 64 -2.206 7.721 -9.455 1.00 0.00 C ATOM 0 H THR A 64 -0.500 6.979 -7.436 1.00 0.00 H new ATOM 0 HA THR A 64 -3.358 6.640 -7.247 1.00 0.00 H new ATOM 0 HB THR A 64 -3.035 5.706 -9.440 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.231 6.215 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.059 7.766 -10.534 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.160 8.182 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.399 8.257 -8.956 1.00 0.00 H new ATOM 996 N GLY A 65 -3.707 4.081 -7.065 1.00 0.00 N ATOM 997 CA GLY A 65 -3.936 2.777 -6.464 1.00 0.00 C ATOM 998 C GLY A 65 -5.407 2.368 -6.509 1.00 0.00 C ATOM 999 O GLY A 65 -6.177 2.853 -7.345 1.00 0.00 O ATOM 0 H GLY A 65 -4.518 4.467 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.337 2.029 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.597 2.792 -5.428 1.00 0.00 H new ATOM 1003 N GLU A 66 -5.806 1.437 -5.641 1.00 0.00 N ATOM 1004 CA GLU A 66 -7.130 0.819 -5.657 1.00 0.00 C ATOM 1005 C GLU A 66 -7.691 0.696 -4.237 1.00 0.00 C ATOM 1006 O GLU A 66 -6.929 0.750 -3.265 1.00 0.00 O ATOM 1007 CB GLU A 66 -7.037 -0.544 -6.373 1.00 0.00 C ATOM 1008 CG GLU A 66 -7.979 -0.582 -7.573 1.00 0.00 C ATOM 1009 CD GLU A 66 -7.582 -1.658 -8.581 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -7.830 -2.866 -8.349 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -7.023 -1.289 -9.633 1.00 0.00 O ATOM 0 H GLU A 66 -5.206 1.086 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.828 1.449 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.013 -0.720 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.291 -1.345 -5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.997 -0.766 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.980 0.391 -8.064 1.00 0.00 H new ATOM 1018 N ILE A 67 -9.006 0.512 -4.099 1.00 0.00 N ATOM 1019 CA ILE A 67 -9.699 0.481 -2.815 1.00 0.00 C ATOM 1020 C ILE A 67 -10.361 -0.877 -2.724 1.00 0.00 C ATOM 1021 O ILE A 67 -11.276 -1.200 -3.479 1.00 0.00 O ATOM 1022 CB ILE A 67 -10.725 1.636 -2.675 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -10.053 3.014 -2.876 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -11.441 1.582 -1.306 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -11.056 4.168 -2.973 1.00 0.00 C ATOM 0 H ILE A 67 -9.629 0.378 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 67 -8.997 0.629 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.471 1.504 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.371 3.203 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.451 2.988 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.154 2.403 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.969 0.633 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -10.705 1.671 -0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.519 5.106 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.722 4.001 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.642 4.219 -2.055 1.00 0.00 H new ATOM 1037 N TYR A 68 -9.860 -1.690 -1.808 1.00 0.00 N ATOM 1038 CA TYR A 68 -10.434 -2.969 -1.495 1.00 0.00 C ATOM 1039 C TYR A 68 -11.214 -2.846 -0.189 1.00 0.00 C ATOM 1040 O TYR A 68 -10.711 -2.323 0.810 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.334 -4.036 -1.479 1.00 0.00 C ATOM 1042 CG TYR A 68 -8.663 -4.236 -2.833 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -9.444 -4.661 -3.923 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -7.285 -3.999 -3.021 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -8.889 -4.794 -5.207 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -6.708 -4.204 -4.286 1.00 0.00 C ATOM 1047 CZ TYR A 68 -7.509 -4.565 -5.392 1.00 0.00 C ATOM 1048 OH TYR A 68 -6.952 -4.644 -6.628 1.00 0.00 O ATOM 0 H TYR A 68 -9.030 -1.467 -1.258 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.145 -3.291 -2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.578 -3.756 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.762 -4.983 -1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.489 -4.889 -3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -6.676 -3.661 -2.196 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.513 -5.069 -6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.642 -4.084 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.171 -3.836 -7.138 1.00 0.00 H new ATOM 1058 N GLU A 69 -12.459 -3.316 -0.204 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.143 -3.744 1.004 1.00 0.00 C ATOM 1060 C GLU A 69 -12.419 -4.991 1.487 1.00 0.00 C ATOM 1061 O GLU A 69 -12.025 -5.831 0.670 1.00 0.00 O ATOM 1062 CB GLU A 69 -14.601 -4.072 0.675 1.00 0.00 C ATOM 1063 CG GLU A 69 -15.415 -4.608 1.865 1.00 0.00 C ATOM 1064 CD GLU A 69 -16.648 -5.349 1.364 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -17.380 -4.789 0.520 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -16.862 -6.510 1.793 1.00 0.00 O ATOM 0 H GLU A 69 -13.017 -3.409 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.137 -2.968 1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.086 -3.173 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.623 -4.810 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.798 -5.277 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.714 -3.783 2.512 1.00 0.00 H new ATOM 1073 N VAL A 70 -12.269 -5.126 2.800 1.00 0.00 N ATOM 1074 CA VAL A 70 -11.644 -6.280 3.412 1.00 0.00 C ATOM 1075 C VAL A 70 -12.436 -6.710 4.635 1.00 0.00 C ATOM 1076 O VAL A 70 -13.101 -5.900 5.302 1.00 0.00 O ATOM 1077 CB VAL A 70 -10.175 -5.972 3.757 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.338 -5.899 2.477 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -9.969 -4.690 4.575 1.00 0.00 C ATOM 0 H VAL A 70 -12.583 -4.426 3.472 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.645 -7.111 2.706 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.846 -6.795 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.301 -5.681 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.390 -6.854 1.954 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.727 -5.110 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.906 -4.551 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.349 -3.836 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.506 -4.771 5.520 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.331 -7.997 4.951 1.00 0.00 N ATOM 1090 CA ASP A 71 -12.730 -8.499 6.245 1.00 0.00 C ATOM 1091 C ASP A 71 -11.581 -8.352 7.222 1.00 0.00 C ATOM 1092 O ASP A 71 -10.458 -7.943 6.908 1.00 0.00 O ATOM 1093 CB ASP A 71 -13.288 -9.929 6.233 1.00 0.00 C ATOM 1094 CG ASP A 71 -12.216 -11.013 6.276 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -11.128 -10.820 5.700 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -12.464 -12.046 6.932 1.00 0.00 O ATOM 0 H ASP A 71 -11.969 -8.710 4.317 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.572 -7.888 6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.953 -10.056 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.892 -10.065 5.336 1.00 0.00 H new ATOM 1101 N GLU A 72 -11.925 -8.677 8.453 1.00 0.00 N ATOM 1102 CA GLU A 72 -11.013 -8.683 9.568 1.00 0.00 C ATOM 1103 C GLU A 72 -9.865 -9.660 9.374 1.00 0.00 C ATOM 1104 O GLU A 72 -8.795 -9.368 9.899 1.00 0.00 O ATOM 1105 CB GLU A 72 -11.800 -8.984 10.847 1.00 0.00 C ATOM 1106 CG GLU A 72 -12.347 -7.734 11.501 1.00 0.00 C ATOM 1107 CD GLU A 72 -13.864 -7.601 11.367 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -14.398 -7.456 10.239 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.517 -7.662 12.437 1.00 0.00 O ATOM 0 H GLU A 72 -12.874 -8.951 8.707 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.551 -7.699 9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.624 -9.657 10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.154 -9.506 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.081 -7.738 12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.871 -6.860 11.056 1.00 0.00 H new ATOM 1116 N GLN A 73 -10.039 -10.775 8.655 1.00 0.00 N ATOM 1117 CA GLN A 73 -8.930 -11.678 8.397 1.00 0.00 C ATOM 1118 C GLN A 73 -7.959 -11.084 7.389 1.00 0.00 C ATOM 1119 O GLN A 73 -6.771 -11.186 7.647 1.00 0.00 O ATOM 1120 CB GLN A 73 -9.418 -13.067 7.988 1.00 0.00 C ATOM 1121 CG GLN A 73 -8.302 -14.085 7.678 1.00 0.00 C ATOM 1122 CD GLN A 73 -7.230 -14.254 8.757 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -6.063 -14.484 8.465 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -7.597 -14.205 10.025 1.00 0.00 N ATOM 0 H GLN A 73 -10.929 -11.065 8.249 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.380 -11.806 9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.042 -13.467 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.053 -12.968 7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.763 -15.056 7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.812 -13.787 6.751 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.569 -14.013 10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.908 -14.359 10.762 1.00 0.00 H new ATOM 1133 N MET A 74 -8.397 -10.440 6.303 1.00 0.00 N ATOM 1134 CA MET A 74 -7.433 -9.861 5.360 1.00 0.00 C ATOM 1135 C MET A 74 -6.656 -8.761 6.076 1.00 0.00 C ATOM 1136 O MET A 74 -5.431 -8.702 6.004 1.00 0.00 O ATOM 1137 CB MET A 74 -8.148 -9.350 4.102 1.00 0.00 C ATOM 1138 CG MET A 74 -7.275 -8.516 3.155 1.00 0.00 C ATOM 1139 SD MET A 74 -5.715 -9.240 2.589 1.00 0.00 S ATOM 1140 CE MET A 74 -6.313 -10.867 2.080 1.00 0.00 C ATOM 0 H MET A 74 -9.379 -10.308 6.059 1.00 0.00 H new ATOM 0 HA MET A 74 -6.727 -10.620 5.024 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.540 -10.206 3.552 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.004 -8.748 4.408 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.871 -8.275 2.275 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.046 -7.574 3.653 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.644 -11.281 1.326 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.341 -11.531 2.944 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.315 -10.772 1.662 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.362 -7.914 6.830 1.00 0.00 N ATOM 1151 CA LEU A 75 -6.727 -6.853 7.610 1.00 0.00 C ATOM 1152 C LEU A 75 -5.752 -7.400 8.656 1.00 0.00 C ATOM 1153 O LEU A 75 -4.794 -6.715 9.000 1.00 0.00 O ATOM 1154 CB LEU A 75 -7.807 -5.997 8.288 1.00 0.00 C ATOM 1155 CG LEU A 75 -7.386 -4.529 8.537 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -7.121 -3.734 7.254 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -8.489 -3.770 9.277 1.00 0.00 C ATOM 0 H LEU A 75 -8.378 -7.945 6.916 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.144 -6.241 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.704 -6.006 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.072 -6.454 9.241 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.465 -4.603 9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.831 -2.715 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.318 -4.209 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.026 -3.712 6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.174 -2.740 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.401 -3.779 8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.680 -4.250 10.237 1.00 0.00 H new ATOM 1169 N ARG A 76 -6.004 -8.600 9.183 1.00 0.00 N ATOM 1170 CA ARG A 76 -5.116 -9.313 10.114 1.00 0.00 C ATOM 1171 C ARG A 76 -3.966 -10.036 9.432 1.00 0.00 C ATOM 1172 O ARG A 76 -2.885 -10.076 10.008 1.00 0.00 O ATOM 1173 CB ARG A 76 -5.899 -10.355 10.914 1.00 0.00 C ATOM 1174 CG ARG A 76 -6.642 -9.679 12.056 1.00 0.00 C ATOM 1175 CD ARG A 76 -7.565 -10.698 12.717 1.00 0.00 C ATOM 1176 NE ARG A 76 -7.999 -10.190 14.019 1.00 0.00 N ATOM 1177 CZ ARG A 76 -7.608 -10.643 15.212 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -6.901 -11.761 15.335 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -7.963 -9.946 16.280 1.00 0.00 N ATOM 0 H ARG A 76 -6.855 -9.120 8.970 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.702 -8.537 10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.606 -10.870 10.263 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.219 -11.110 11.308 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.934 -9.283 12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.220 -8.834 11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.430 -10.887 12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.046 -11.649 12.840 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.663 -9.416 14.014 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.644 -12.296 14.505 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.615 -12.085 16.259 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.516 -9.096 16.173 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.684 -10.259 17.210 1.00 0.00 H new ATOM 1193 N PHE A 77 -4.170 -10.616 8.258 1.00 0.00 N ATOM 1194 CA PHE A 77 -3.124 -11.280 7.504 1.00 0.00 C ATOM 1195 C PHE A 77 -2.061 -10.249 7.148 1.00 0.00 C ATOM 1196 O PHE A 77 -0.877 -10.467 7.387 1.00 0.00 O ATOM 1197 CB PHE A 77 -3.719 -11.945 6.253 1.00 0.00 C ATOM 1198 CG PHE A 77 -2.648 -12.317 5.251 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -1.808 -13.416 5.498 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -2.388 -11.463 4.165 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -0.700 -13.659 4.670 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -1.255 -11.679 3.365 1.00 0.00 C ATOM 1203 CZ PHE A 77 -0.416 -12.782 3.609 1.00 0.00 C ATOM 0 H PHE A 77 -5.080 -10.637 7.799 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.663 -12.069 8.098 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.271 -12.839 6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.434 -11.267 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.015 -14.076 6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.057 -10.644 3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.068 -14.517 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.027 -10.997 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.446 -12.955 2.981 1.00 0.00 H new ATOM 1213 N LEU A 78 -2.473 -9.086 6.633 1.00 0.00 N ATOM 1214 CA LEU A 78 -1.530 -8.006 6.357 1.00 0.00 C ATOM 1215 C LEU A 78 -0.865 -7.519 7.651 1.00 0.00 C ATOM 1216 O LEU A 78 0.260 -7.038 7.610 1.00 0.00 O ATOM 1217 CB LEU A 78 -2.219 -6.854 5.612 1.00 0.00 C ATOM 1218 CG LEU A 78 -2.875 -7.247 4.272 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -3.581 -6.016 3.698 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -1.908 -7.834 3.236 1.00 0.00 C ATOM 0 H LEU A 78 -3.443 -8.873 6.402 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.746 -8.395 5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.982 -6.426 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.484 -6.071 5.424 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.580 -8.049 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.051 -6.275 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.343 -5.674 4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.853 -5.221 3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.455 -8.081 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.133 -7.103 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.447 -8.736 3.639 1.00 0.00 H new ATOM 1232 N ASP A 79 -1.502 -7.707 8.808 1.00 0.00 N ATOM 1233 CA ASP A 79 -0.963 -7.357 10.127 1.00 0.00 C ATOM 1234 C ASP A 79 0.060 -8.372 10.649 1.00 0.00 C ATOM 1235 O ASP A 79 0.416 -8.368 11.832 1.00 0.00 O ATOM 1236 CB ASP A 79 -2.112 -7.167 11.119 1.00 0.00 C ATOM 1237 CG ASP A 79 -1.877 -6.119 12.209 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -1.241 -5.069 11.954 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -2.568 -6.234 13.251 1.00 0.00 O ATOM 0 H ASP A 79 -2.434 -8.119 8.857 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.418 -6.419 10.018 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.008 -6.891 10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.317 -8.124 11.598 1.00 0.00 H new ATOM 1244 N ASP A 80 0.492 -9.294 9.792 1.00 0.00 N ATOM 1245 CA ASP A 80 1.454 -10.351 10.098 1.00 0.00 C ATOM 1246 C ASP A 80 2.397 -10.642 8.932 1.00 0.00 C ATOM 1247 O ASP A 80 3.566 -10.974 9.123 1.00 0.00 O ATOM 1248 CB ASP A 80 0.678 -11.616 10.467 1.00 0.00 C ATOM 1249 CG ASP A 80 1.589 -12.660 11.090 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.273 -12.317 12.079 1.00 0.00 O ATOM 1251 OD2 ASP A 80 1.538 -13.837 10.667 1.00 0.00 O ATOM 0 H ASP A 80 0.168 -9.327 8.825 1.00 0.00 H new ATOM 0 HA ASP A 80 2.076 -10.017 10.928 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.121 -11.365 11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.205 -12.028 9.576 1.00 0.00 H new ATOM 1256 N PHE A 81 1.914 -10.458 7.707 1.00 0.00 N ATOM 1257 CA PHE A 81 2.712 -10.530 6.500 1.00 0.00 C ATOM 1258 C PHE A 81 3.671 -9.341 6.402 1.00 0.00 C ATOM 1259 O PHE A 81 4.762 -9.482 5.841 1.00 0.00 O ATOM 1260 CB PHE A 81 1.752 -10.571 5.308 1.00 0.00 C ATOM 1261 CG PHE A 81 2.416 -10.563 3.946 1.00 0.00 C ATOM 1262 CD1 PHE A 81 3.419 -11.502 3.637 1.00 0.00 C ATOM 1263 CD2 PHE A 81 2.047 -9.594 2.993 1.00 0.00 C ATOM 1264 CE1 PHE A 81 4.061 -11.457 2.389 1.00 0.00 C ATOM 1265 CE2 PHE A 81 2.673 -9.566 1.737 1.00 0.00 C ATOM 1266 CZ PHE A 81 3.678 -10.500 1.437 1.00 0.00 C ATOM 0 H PHE A 81 0.932 -10.250 7.528 1.00 0.00 H new ATOM 0 HA PHE A 81 3.331 -11.427 6.511 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.135 -11.466 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.081 -9.715 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.694 -12.256 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.281 -8.871 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.850 -12.159 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.383 -8.828 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.158 -10.482 0.470 1.00 0.00 H new ATOM 1276 N GLU A 82 3.290 -8.171 6.921 1.00 0.00 N ATOM 1277 CA GLU A 82 4.029 -6.924 6.726 1.00 0.00 C ATOM 1278 C GLU A 82 5.034 -6.666 7.853 1.00 0.00 C ATOM 1279 O GLU A 82 5.649 -5.604 7.871 1.00 0.00 O ATOM 1280 CB GLU A 82 3.054 -5.747 6.530 1.00 0.00 C ATOM 1281 CG GLU A 82 2.017 -5.977 5.409 1.00 0.00 C ATOM 1282 CD GLU A 82 2.581 -5.756 4.011 1.00 0.00 C ATOM 1283 OE1 GLU A 82 3.621 -6.341 3.625 1.00 0.00 O ATOM 1284 OE2 GLU A 82 2.008 -4.921 3.274 1.00 0.00 O ATOM 0 H GLU A 82 2.452 -8.063 7.493 1.00 0.00 H new ATOM 0 HA GLU A 82 4.620 -7.022 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.528 -5.563 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.626 -4.847 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.633 -6.995 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.172 -5.306 5.562 1.00 0.00 H new ATOM 1291 N ASP A 83 5.204 -7.617 8.781 1.00 0.00 N ATOM 1292 CA ASP A 83 6.052 -7.534 9.981 1.00 0.00 C ATOM 1293 C ASP A 83 5.756 -6.318 10.867 1.00 0.00 C ATOM 1294 O ASP A 83 6.559 -5.922 11.710 1.00 0.00 O ATOM 1295 CB ASP A 83 7.547 -7.570 9.637 1.00 0.00 C ATOM 1296 CG ASP A 83 8.376 -8.127 10.795 1.00 0.00 C ATOM 1297 OD1 ASP A 83 8.048 -9.226 11.293 1.00 0.00 O ATOM 1298 OD2 ASP A 83 9.437 -7.556 11.139 1.00 0.00 O ATOM 0 H ASP A 83 4.727 -8.516 8.712 1.00 0.00 H new ATOM 0 HA ASP A 83 5.796 -8.423 10.557 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.702 -8.183 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.890 -6.564 9.394 1.00 0.00 H new ATOM 1303 N CYS A 84 4.613 -5.668 10.676 1.00 0.00 N ATOM 1304 CA CYS A 84 4.122 -4.677 11.613 1.00 0.00 C ATOM 1305 C CYS A 84 3.858 -5.374 12.956 1.00 0.00 C ATOM 1306 O CYS A 84 3.483 -6.550 12.952 1.00 0.00 O ATOM 1307 CB CYS A 84 2.850 -4.042 11.049 1.00 0.00 C ATOM 1308 SG CYS A 84 1.785 -5.330 10.363 1.00 0.00 S ATOM 0 H CYS A 84 4.007 -5.816 9.869 1.00 0.00 H new ATOM 0 HA CYS A 84 4.853 -3.883 11.768 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.323 -3.500 11.834 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.105 -3.317 10.276 1.00 0.00 H new ATOM 0 HG CYS A 84 0.799 -4.780 9.719 1.00 0.00 H new ATOM 1314 N PRO A 85 3.986 -4.688 14.102 1.00 0.00 N ATOM 1315 CA PRO A 85 4.319 -3.271 14.240 1.00 0.00 C ATOM 1316 C PRO A 85 5.806 -2.930 14.028 1.00 0.00 C ATOM 1317 O PRO A 85 6.158 -1.747 14.017 1.00 0.00 O ATOM 1318 CB PRO A 85 3.902 -2.929 15.668 1.00 0.00 C ATOM 1319 CG PRO A 85 4.073 -4.241 16.434 1.00 0.00 C ATOM 1320 CD PRO A 85 3.692 -5.288 15.395 1.00 0.00 C ATOM 0 HA PRO A 85 3.809 -2.696 13.467 1.00 0.00 H new ATOM 0 HB2 PRO A 85 4.526 -2.139 16.087 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.872 -2.576 15.708 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.096 -4.374 16.786 1.00 0.00 H new ATOM 0 HG3 PRO A 85 3.426 -4.286 17.310 1.00 0.00 H new ATOM 0 HD2 PRO A 85 4.261 -6.207 15.538 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.637 -5.551 15.473 1.00 0.00 H new ATOM 1328 N SER A 86 6.685 -3.929 13.915 1.00 0.00 N ATOM 1329 CA SER A 86 8.129 -3.759 13.818 1.00 0.00 C ATOM 1330 C SER A 86 8.498 -2.953 12.586 1.00 0.00 C ATOM 1331 O SER A 86 9.073 -1.872 12.720 1.00 0.00 O ATOM 1332 CB SER A 86 8.808 -5.123 13.808 1.00 0.00 C ATOM 1333 OG SER A 86 8.284 -5.877 14.893 1.00 0.00 O ATOM 0 H SER A 86 6.398 -4.907 13.888 1.00 0.00 H new ATOM 0 HA SER A 86 8.479 -3.203 14.688 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.624 -5.634 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.888 -5.013 13.906 1.00 0.00 H new ATOM 0 HG SER A 86 8.704 -6.762 14.909 1.00 0.00 H new ATOM 1339 N MET A 87 8.177 -3.472 11.403 1.00 0.00 N ATOM 1340 CA MET A 87 8.474 -2.807 10.156 1.00 0.00 C ATOM 1341 C MET A 87 7.530 -1.607 10.002 1.00 0.00 C ATOM 1342 O MET A 87 7.950 -0.465 10.208 1.00 0.00 O ATOM 1343 CB MET A 87 8.371 -3.814 9.004 1.00 0.00 C ATOM 1344 CG MET A 87 9.599 -4.722 8.855 1.00 0.00 C ATOM 1345 SD MET A 87 9.634 -5.873 7.439 1.00 0.00 S ATOM 1346 CE MET A 87 8.919 -4.888 6.097 1.00 0.00 C ATOM 0 H MET A 87 7.703 -4.368 11.292 1.00 0.00 H new ATOM 0 HA MET A 87 9.494 -2.422 10.142 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.489 -4.436 9.157 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.220 -3.270 8.072 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.482 -4.085 8.792 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.695 -5.310 9.768 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.034 -5.421 5.153 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.860 -4.721 6.293 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.432 -3.928 6.037 1.00 0.00 H new ATOM 1356 N TYR A 88 6.279 -1.855 9.610 1.00 0.00 N ATOM 1357 CA TYR A 88 5.265 -0.829 9.373 1.00 0.00 C ATOM 1358 C TYR A 88 4.388 -0.654 10.615 1.00 0.00 C ATOM 1359 O TYR A 88 4.480 -1.432 11.559 1.00 0.00 O ATOM 1360 CB TYR A 88 4.394 -1.255 8.182 1.00 0.00 C ATOM 1361 CG TYR A 88 5.118 -1.288 6.855 1.00 0.00 C ATOM 1362 CD1 TYR A 88 5.342 -0.092 6.147 1.00 0.00 C ATOM 1363 CD2 TYR A 88 5.558 -2.513 6.325 1.00 0.00 C ATOM 1364 CE1 TYR A 88 6.041 -0.107 4.931 1.00 0.00 C ATOM 1365 CE2 TYR A 88 6.254 -2.542 5.104 1.00 0.00 C ATOM 1366 CZ TYR A 88 6.515 -1.335 4.417 1.00 0.00 C ATOM 1367 OH TYR A 88 7.223 -1.335 3.264 1.00 0.00 O ATOM 0 H TYR A 88 5.935 -2.801 9.444 1.00 0.00 H new ATOM 0 HA TYR A 88 5.755 0.120 9.156 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.985 -2.245 8.383 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.549 -0.571 8.103 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.973 0.843 6.543 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.361 -3.433 6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 88 6.216 0.812 4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.588 -3.483 4.693 1.00 0.00 H new ATOM 0 HH TYR A 88 7.240 -0.429 2.891 1.00 0.00 H new ATOM 1377 N GLN A 89 3.477 0.317 10.591 1.00 0.00 N ATOM 1378 CA GLN A 89 2.346 0.452 11.499 1.00 0.00 C ATOM 1379 C GLN A 89 1.099 0.673 10.636 1.00 0.00 C ATOM 1380 O GLN A 89 1.205 1.272 9.563 1.00 0.00 O ATOM 1381 CB GLN A 89 2.570 1.638 12.450 1.00 0.00 C ATOM 1382 CG GLN A 89 3.837 1.525 13.320 1.00 0.00 C ATOM 1383 CD GLN A 89 5.066 2.215 12.716 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.075 3.436 12.523 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.135 1.479 12.453 1.00 0.00 N ATOM 0 H GLN A 89 3.512 1.068 9.901 1.00 0.00 H new ATOM 0 HA GLN A 89 2.228 -0.440 12.114 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.628 2.554 11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.703 1.733 13.103 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.634 1.958 14.299 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.065 0.471 13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.114 0.472 12.617 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.979 1.919 12.087 1.00 0.00 H new ATOM 1394 N ARG A 90 -0.074 0.180 11.050 1.00 0.00 N ATOM 1395 CA ARG A 90 -1.314 0.452 10.314 1.00 0.00 C ATOM 1396 C ARG A 90 -1.810 1.824 10.734 1.00 0.00 C ATOM 1397 O ARG A 90 -1.927 2.079 11.934 1.00 0.00 O ATOM 1398 CB ARG A 90 -2.372 -0.633 10.578 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.711 -0.380 9.843 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.749 0.434 10.620 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.989 -0.120 11.961 1.00 0.00 N ATOM 1402 CZ ARG A 90 -5.870 0.350 12.843 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -6.739 1.288 12.479 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -5.905 -0.100 14.091 1.00 0.00 N ATOM 0 H ARG A 90 -0.191 -0.402 11.880 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.123 0.437 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.974 -1.600 10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.560 -0.693 11.650 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.499 0.135 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.151 -1.343 9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.409 1.466 10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.686 0.454 10.063 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.436 -0.931 12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.731 1.648 11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.414 1.648 13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.249 -0.820 14.392 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.588 0.275 14.749 1.00 0.00 H new ATOM 1418 N THR A 91 -2.200 2.659 9.778 1.00 0.00 N ATOM 1419 CA THR A 91 -2.600 4.040 10.010 1.00 0.00 C ATOM 1420 C THR A 91 -3.804 4.378 9.127 1.00 0.00 C ATOM 1421 O THR A 91 -4.156 3.613 8.226 1.00 0.00 O ATOM 1422 CB THR A 91 -1.387 4.936 9.708 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.250 4.406 10.357 1.00 0.00 O ATOM 1424 CG2 THR A 91 -1.500 6.368 10.218 1.00 0.00 C ATOM 0 H THR A 91 -2.248 2.387 8.796 1.00 0.00 H new ATOM 0 HA THR A 91 -2.907 4.201 11.044 1.00 0.00 H new ATOM 0 HB THR A 91 -1.323 4.956 8.620 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.454 4.235 9.697 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.597 6.920 9.957 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.365 6.850 9.761 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.619 6.360 11.301 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.439 5.524 9.378 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.517 6.100 8.586 1.00 0.00 C ATOM 1434 C ALA A 92 -5.008 7.305 7.789 1.00 0.00 C ATOM 1435 O ALA A 92 -4.269 8.132 8.326 1.00 0.00 O ATOM 1436 CB ALA A 92 -6.628 6.548 9.539 1.00 0.00 C ATOM 0 H ALA A 92 -4.199 6.103 10.183 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.894 5.357 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.446 6.983 8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.995 5.688 10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.235 7.292 10.232 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.435 7.432 6.532 1.00 0.00 N ATOM 1443 CA LEU A 93 -5.136 8.569 5.646 1.00 0.00 C ATOM 1444 C LEU A 93 -6.306 8.930 4.712 1.00 0.00 C ATOM 1445 O LEU A 93 -7.293 8.193 4.659 1.00 0.00 O ATOM 1446 CB LEU A 93 -3.839 8.277 4.871 1.00 0.00 C ATOM 1447 CG LEU A 93 -3.891 7.312 3.663 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -4.793 6.081 3.807 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -4.258 8.038 2.387 1.00 0.00 C ATOM 0 H LEU A 93 -6.018 6.726 6.083 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.990 9.455 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.446 9.229 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.114 7.878 5.580 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.872 6.928 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.743 5.485 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.457 5.480 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.821 6.401 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.285 7.329 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.238 8.500 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.515 8.809 2.180 1.00 0.00 H new ATOM 1461 N GLN A 94 -6.185 10.038 3.965 1.00 0.00 N ATOM 1462 CA GLN A 94 -7.199 10.535 3.018 1.00 0.00 C ATOM 1463 C GLN A 94 -6.924 10.056 1.577 1.00 0.00 C ATOM 1464 O GLN A 94 -5.843 10.295 1.030 1.00 0.00 O ATOM 1465 CB GLN A 94 -7.214 12.075 3.070 1.00 0.00 C ATOM 1466 CG GLN A 94 -8.271 12.741 2.167 1.00 0.00 C ATOM 1467 CD GLN A 94 -9.645 12.854 2.825 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -10.111 13.959 3.096 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -10.336 11.766 3.118 1.00 0.00 N ATOM 0 H GLN A 94 -5.356 10.631 4.003 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.170 10.136 3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.387 12.388 4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.229 12.444 2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.926 13.737 1.890 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.364 12.168 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.956 10.846 2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.249 11.847 3.566 1.00 0.00 H new ATOM 1478 N VAL A 95 -7.912 9.426 0.932 1.00 0.00 N ATOM 1479 CA VAL A 95 -7.812 8.814 -0.391 1.00 0.00 C ATOM 1480 C VAL A 95 -8.950 9.367 -1.248 1.00 0.00 C ATOM 1481 O VAL A 95 -10.108 9.156 -0.899 1.00 0.00 O ATOM 1482 CB VAL A 95 -7.895 7.275 -0.263 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -7.785 6.557 -1.615 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -6.809 6.709 0.663 1.00 0.00 C ATOM 0 H VAL A 95 -8.842 9.326 1.338 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.858 9.050 -0.862 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.880 7.087 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.850 5.480 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.597 6.880 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.829 6.800 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.909 5.625 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.825 6.962 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.921 7.137 1.659 1.00 0.00 H new ATOM 1494 N GLN A 96 -8.646 10.038 -2.364 1.00 0.00 N ATOM 1495 CA GLN A 96 -9.622 10.403 -3.361 1.00 0.00 C ATOM 1496 C GLN A 96 -10.158 9.100 -3.901 1.00 0.00 C ATOM 1497 O GLN A 96 -9.410 8.231 -4.353 1.00 0.00 O ATOM 1498 CB GLN A 96 -9.016 11.254 -4.491 1.00 0.00 C ATOM 1499 CG GLN A 96 -9.988 11.372 -5.692 1.00 0.00 C ATOM 1500 CD GLN A 96 -9.411 11.915 -6.991 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -8.214 11.871 -7.256 1.00 0.00 O ATOM 1502 NE2 GLN A 96 -10.272 12.303 -7.908 1.00 0.00 N ATOM 0 H GLN A 96 -7.699 10.341 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.406 11.020 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.780 12.249 -4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.078 10.808 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.403 10.384 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.818 12.013 -5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.268 12.340 -7.690 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.944 12.566 -8.837 1.00 0.00 H new ATOM 1511 N VAL A 97 -11.469 9.012 -3.907 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.197 7.996 -4.618 1.00 0.00 C ATOM 1513 C VAL A 97 -12.171 8.359 -6.117 1.00 0.00 C ATOM 1514 O VAL A 97 -12.615 9.428 -6.541 1.00 0.00 O ATOM 1515 CB VAL A 97 -13.579 7.929 -3.960 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -14.271 9.232 -3.898 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -14.428 6.765 -4.425 1.00 0.00 C ATOM 0 H VAL A 97 -12.070 9.664 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.774 6.993 -4.565 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.387 7.692 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.242 9.106 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -13.671 9.936 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.411 9.618 -4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -15.390 6.789 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.588 6.838 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -13.918 5.829 -4.197 1.00 0.00 H new ATOM 1527 N LEU A 98 -11.555 7.513 -6.936 1.00 0.00 N ATOM 1528 CA LEU A 98 -11.624 7.611 -8.393 1.00 0.00 C ATOM 1529 C LEU A 98 -12.832 6.834 -8.923 1.00 0.00 C ATOM 1530 O LEU A 98 -13.262 7.065 -10.051 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.330 7.072 -9.043 1.00 0.00 C ATOM 1532 CG LEU A 98 -9.317 8.121 -9.531 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -9.953 9.274 -10.315 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -8.461 8.635 -8.375 1.00 0.00 C ATOM 0 H LEU A 98 -10.988 6.732 -6.606 1.00 0.00 H new ATOM 0 HA LEU A 98 -11.733 8.663 -8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.830 6.425 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.609 6.447 -9.891 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.669 7.608 -10.241 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.177 9.974 -10.626 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.460 8.879 -11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.674 9.790 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.753 9.375 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.103 9.093 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.915 7.804 -7.929 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.357 5.874 -8.162 1.00 0.00 N ATOM 1547 CA GLU A 99 -14.613 5.188 -8.435 1.00 0.00 C ATOM 1548 C GLU A 99 -15.072 4.620 -7.102 1.00 0.00 C ATOM 1549 O GLU A 99 -14.212 4.222 -6.315 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.347 4.094 -9.479 1.00 0.00 C ATOM 1551 CG GLU A 99 -15.582 3.515 -10.177 1.00 0.00 C ATOM 1552 CD GLU A 99 -15.200 2.739 -11.454 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -14.012 2.385 -11.645 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -16.070 2.527 -12.334 1.00 0.00 O ATOM 0 H GLU A 99 -12.902 5.544 -7.311 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.388 5.838 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.681 4.501 -10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.813 3.278 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.111 2.852 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -16.268 4.322 -10.433 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.381 4.559 -6.863 1.00 0.00 N ATOM 1562 CA TRP A 100 -16.999 3.993 -5.669 1.00 0.00 C ATOM 1563 C TRP A 100 -18.048 2.986 -6.094 1.00 0.00 C ATOM 1564 O TRP A 100 -19.035 3.354 -6.732 1.00 0.00 O ATOM 1565 CB TRP A 100 -17.684 5.047 -4.792 1.00 0.00 C ATOM 1566 CG TRP A 100 -18.132 4.473 -3.477 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -19.400 4.184 -3.094 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -17.280 4.009 -2.389 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -19.377 3.522 -1.882 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -18.094 3.377 -1.406 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -15.890 4.024 -2.156 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -17.553 2.779 -0.258 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -15.334 3.443 -1.001 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -16.163 2.819 -0.054 1.00 0.00 C ATOM 0 H TRP A 100 -17.068 4.919 -7.526 1.00 0.00 H new ATOM 0 HA TRP A 100 -16.202 3.536 -5.082 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -16.996 5.873 -4.613 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -18.544 5.457 -5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -20.291 4.433 -3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -20.209 3.182 -1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -15.238 4.491 -2.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -18.197 2.294 0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -14.266 3.477 -0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -15.733 2.371 0.829 1.00 0.00 H new ATOM 1585 N GLU A 101 -17.841 1.722 -5.748 1.00 0.00 N ATOM 1586 CA GLU A 101 -18.758 0.658 -6.117 1.00 0.00 C ATOM 1587 C GLU A 101 -19.656 0.321 -4.922 1.00 0.00 C ATOM 1588 O GLU A 101 -19.191 -0.192 -3.900 1.00 0.00 O ATOM 1589 CB GLU A 101 -17.968 -0.545 -6.655 1.00 0.00 C ATOM 1590 CG GLU A 101 -17.158 -0.213 -7.922 1.00 0.00 C ATOM 1591 CD GLU A 101 -18.047 0.121 -9.129 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -18.556 -0.826 -9.771 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -18.260 1.309 -9.461 1.00 0.00 O ATOM 0 H GLU A 101 -17.036 1.409 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.418 0.977 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.290 -0.904 -5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.660 -1.358 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.501 0.632 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.519 -1.060 -8.171 1.00 0.00 H new ATOM 1600 N GLY A 102 -20.948 0.607 -5.052 1.00 0.00 N ATOM 1601 CA GLY A 102 -21.997 0.207 -4.129 1.00 0.00 C ATOM 1602 C GLY A 102 -22.481 1.366 -3.267 1.00 0.00 C ATOM 1603 O GLY A 102 -22.232 2.541 -3.548 1.00 0.00 O ATOM 0 H GLY A 102 -21.305 1.148 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.837 -0.200 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.627 -0.592 -3.486 1.00 0.00 H new ATOM 1607 N ASP A 103 -23.239 1.020 -2.231 1.00 0.00 N ATOM 1608 CA ASP A 103 -23.770 1.962 -1.257 1.00 0.00 C ATOM 1609 C ASP A 103 -22.643 2.405 -0.318 1.00 0.00 C ATOM 1610 O ASP A 103 -21.543 1.837 -0.337 1.00 0.00 O ATOM 1611 CB ASP A 103 -24.912 1.283 -0.490 1.00 0.00 C ATOM 1612 CG ASP A 103 -25.752 2.250 0.346 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -26.515 3.038 -0.247 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -25.746 2.144 1.599 1.00 0.00 O ATOM 0 H ASP A 103 -23.506 0.054 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 103 -24.165 2.851 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -25.562 0.772 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -24.494 0.519 0.165 1.00 0.00 H new ATOM 1619 N GLY A 104 -22.914 3.394 0.528 1.00 0.00 N ATOM 1620 CA GLY A 104 -21.988 3.876 1.528 1.00 0.00 C ATOM 1621 C GLY A 104 -20.943 4.802 0.918 1.00 0.00 C ATOM 1622 O GLY A 104 -19.761 4.558 1.115 1.00 0.00 O ATOM 0 H GLY A 104 -23.806 3.889 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -22.535 4.406 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -21.493 3.030 2.005 1.00 0.00 H new ATOM 1626 N ASP A 105 -21.380 5.934 0.368 1.00 0.00 N ATOM 1627 CA ASP A 105 -20.738 6.867 -0.566 1.00 0.00 C ATOM 1628 C ASP A 105 -20.196 8.084 0.194 1.00 0.00 C ATOM 1629 O ASP A 105 -20.980 8.968 0.569 1.00 0.00 O ATOM 1630 CB ASP A 105 -21.713 7.367 -1.643 1.00 0.00 C ATOM 1631 CG ASP A 105 -21.181 8.613 -2.375 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -19.948 8.778 -2.541 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -22.015 9.500 -2.675 1.00 0.00 O ATOM 0 H ASP A 105 -22.318 6.264 0.596 1.00 0.00 H new ATOM 0 HA ASP A 105 -19.928 6.322 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -21.892 6.571 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -22.673 7.601 -1.182 1.00 0.00 H new ATOM 1638 N PRO A 106 -18.938 8.033 0.666 1.00 0.00 N ATOM 1639 CA PRO A 106 -18.325 9.064 1.493 1.00 0.00 C ATOM 1640 C PRO A 106 -18.175 10.451 0.827 1.00 0.00 C ATOM 1641 O PRO A 106 -17.753 11.386 1.517 1.00 0.00 O ATOM 1642 CB PRO A 106 -16.952 8.495 1.862 1.00 0.00 C ATOM 1643 CG PRO A 106 -16.582 7.649 0.651 1.00 0.00 C ATOM 1644 CD PRO A 106 -17.925 7.055 0.269 1.00 0.00 C ATOM 0 HA PRO A 106 -18.971 9.269 2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -16.223 9.286 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.997 7.896 2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -16.156 8.249 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -15.849 6.880 0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -17.973 6.860 -0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -18.086 6.103 0.774 1.00 0.00 H new ATOM 1652 N GLY A 107 -18.500 10.636 -0.457 1.00 0.00 N ATOM 1653 CA GLY A 107 -18.070 11.794 -1.231 1.00 0.00 C ATOM 1654 C GLY A 107 -16.720 11.483 -1.876 1.00 0.00 C ATOM 1655 O GLY A 107 -16.215 10.365 -1.743 1.00 0.00 O ATOM 0 H GLY A 107 -19.073 9.979 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -18.808 12.031 -1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -17.987 12.669 -0.586 1.00 0.00 H new ATOM 1659 N ASP A 108 -16.146 12.452 -2.589 1.00 0.00 N ATOM 1660 CA ASP A 108 -14.964 12.276 -3.451 1.00 0.00 C ATOM 1661 C ASP A 108 -13.634 12.079 -2.743 1.00 0.00 C ATOM 1662 O ASP A 108 -12.606 11.893 -3.399 1.00 0.00 O ATOM 1663 CB ASP A 108 -14.730 13.463 -4.403 1.00 0.00 C ATOM 1664 CG ASP A 108 -15.926 14.017 -5.174 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -16.883 14.523 -4.547 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -15.901 13.982 -6.432 1.00 0.00 O ATOM 0 H ASP A 108 -16.496 13.410 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.235 11.358 -3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.304 14.279 -3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.975 13.163 -5.130 1.00 0.00 H new ATOM 1671 N SER A 109 -13.642 11.976 -1.428 1.00 0.00 N ATOM 1672 CA SER A 109 -12.572 11.272 -0.755 1.00 0.00 C ATOM 1673 C SER A 109 -13.140 10.379 0.351 1.00 0.00 C ATOM 1674 O SER A 109 -14.257 10.564 0.841 1.00 0.00 O ATOM 1675 CB SER A 109 -11.574 12.299 -0.239 1.00 0.00 C ATOM 1676 OG SER A 109 -10.235 12.138 -0.635 1.00 0.00 O ATOM 0 H SER A 109 -14.362 12.362 -0.817 1.00 0.00 H new ATOM 0 HA SER A 109 -12.048 10.607 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.906 13.286 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.609 12.289 0.850 1.00 0.00 H new ATOM 0 HG SER A 109 -9.721 12.933 -0.382 1.00 0.00 H new ATOM 1682 N VAL A 110 -12.341 9.404 0.748 1.00 0.00 N ATOM 1683 CA VAL A 110 -12.597 8.446 1.813 1.00 0.00 C ATOM 1684 C VAL A 110 -11.397 8.436 2.777 1.00 0.00 C ATOM 1685 O VAL A 110 -10.306 8.926 2.451 1.00 0.00 O ATOM 1686 CB VAL A 110 -12.948 7.085 1.165 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -11.792 6.432 0.397 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -13.519 6.075 2.169 1.00 0.00 C ATOM 0 H VAL A 110 -11.435 9.249 0.306 1.00 0.00 H new ATOM 0 HA VAL A 110 -13.455 8.714 2.430 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.719 7.344 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.125 5.483 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.470 7.093 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.958 6.255 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -13.746 5.140 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -12.787 5.889 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -14.431 6.477 2.611 1.00 0.00 H new ATOM 1698 N GLN A 111 -11.586 7.878 3.972 1.00 0.00 N ATOM 1699 CA GLN A 111 -10.553 7.577 4.944 1.00 0.00 C ATOM 1700 C GLN A 111 -10.326 6.070 4.884 1.00 0.00 C ATOM 1701 O GLN A 111 -11.137 5.295 5.388 1.00 0.00 O ATOM 1702 CB GLN A 111 -10.967 8.085 6.338 1.00 0.00 C ATOM 1703 CG GLN A 111 -9.862 7.979 7.405 1.00 0.00 C ATOM 1704 CD GLN A 111 -9.912 6.681 8.214 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -10.515 6.619 9.282 1.00 0.00 O ATOM 1706 NE2 GLN A 111 -9.215 5.631 7.810 1.00 0.00 N ATOM 0 H GLN A 111 -12.515 7.612 4.299 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.614 8.085 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -11.277 9.127 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.836 7.520 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.890 8.056 6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.945 8.825 8.087 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -8.708 5.665 6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.185 4.788 8.383 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.235 5.643 4.250 1.00 0.00 N ATOM 1716 CA CYS A 112 -8.841 4.236 4.216 1.00 0.00 C ATOM 1717 C CYS A 112 -7.786 3.962 5.286 1.00 0.00 C ATOM 1718 O CYS A 112 -7.198 4.901 5.834 1.00 0.00 O ATOM 1719 CB CYS A 112 -8.292 3.884 2.831 1.00 0.00 C ATOM 1720 SG CYS A 112 -9.660 3.778 1.645 1.00 0.00 S ATOM 0 H CYS A 112 -8.600 6.262 3.746 1.00 0.00 H new ATOM 0 HA CYS A 112 -9.714 3.616 4.419 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -7.576 4.640 2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -7.757 2.935 2.871 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.565 2.670 0.971 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.520 2.681 5.563 1.00 0.00 N ATOM 1727 CA PHE A 113 -6.310 2.254 6.263 1.00 0.00 C ATOM 1728 C PHE A 113 -5.223 1.905 5.243 1.00 0.00 C ATOM 1729 O PHE A 113 -5.534 1.478 4.127 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.599 1.089 7.225 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.657 1.423 8.255 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.368 2.350 9.273 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.944 0.864 8.156 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.383 2.768 10.151 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -9.954 1.267 9.049 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.676 2.230 10.035 1.00 0.00 C ATOM 0 H PHE A 113 -8.140 1.913 5.307 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.947 3.076 6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.921 0.221 6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.678 0.809 7.736 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.367 2.740 9.380 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.157 0.127 7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.169 3.502 10.914 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.942 0.837 8.977 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.458 2.557 10.705 1.00 0.00 H new ATOM 1746 N VAL A 114 -3.967 2.111 5.637 1.00 0.00 N ATOM 1747 CA VAL A 114 -2.720 1.883 4.906 1.00 0.00 C ATOM 1748 C VAL A 114 -1.665 1.463 5.936 1.00 0.00 C ATOM 1749 O VAL A 114 -1.789 1.810 7.114 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.331 3.186 4.158 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -0.881 3.255 3.669 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -3.196 3.357 2.903 1.00 0.00 C ATOM 0 H VAL A 114 -3.778 2.479 6.570 1.00 0.00 H new ATOM 0 HA VAL A 114 -2.814 1.098 4.156 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.482 3.965 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.713 4.204 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -0.206 3.175 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -0.691 2.434 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.913 4.275 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.045 2.506 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.246 3.411 3.190 1.00 0.00 H new ATOM 1762 N TYR A 115 -0.624 0.746 5.509 1.00 0.00 N ATOM 1763 CA TYR A 115 0.577 0.538 6.306 1.00 0.00 C ATOM 1764 C TYR A 115 1.570 1.655 6.017 1.00 0.00 C ATOM 1765 O TYR A 115 1.879 1.923 4.855 1.00 0.00 O ATOM 1766 CB TYR A 115 1.179 -0.842 6.020 1.00 0.00 C ATOM 1767 CG TYR A 115 0.519 -1.893 6.883 1.00 0.00 C ATOM 1768 CD1 TYR A 115 0.807 -1.927 8.260 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -0.463 -2.743 6.347 1.00 0.00 C ATOM 1770 CE1 TYR A 115 0.100 -2.784 9.113 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.174 -3.606 7.198 1.00 0.00 C ATOM 1772 CZ TYR A 115 -0.903 -3.620 8.586 1.00 0.00 C ATOM 1773 OH TYR A 115 -1.689 -4.352 9.419 1.00 0.00 O ATOM 0 H TYR A 115 -0.594 0.293 4.596 1.00 0.00 H new ATOM 0 HA TYR A 115 0.324 0.565 7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.048 -1.092 4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.252 -0.825 6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.579 -1.288 8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -0.670 -2.733 5.287 1.00 0.00 H new ATOM 0 HE1 TYR A 115 0.323 -2.803 10.170 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -1.930 -4.261 6.791 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.247 -4.445 10.288 1.00 0.00 H new ATOM 1783 N THR A 116 2.067 2.306 7.064 1.00 0.00 N ATOM 1784 CA THR A 116 2.997 3.424 6.995 1.00 0.00 C ATOM 1785 C THR A 116 4.175 3.160 7.934 1.00 0.00 C ATOM 1786 O THR A 116 4.243 2.114 8.581 1.00 0.00 O ATOM 1787 CB THR A 116 2.264 4.738 7.339 1.00 0.00 C ATOM 1788 OG1 THR A 116 1.731 4.710 8.646 1.00 0.00 O ATOM 1789 CG2 THR A 116 1.076 5.007 6.419 1.00 0.00 C ATOM 0 H THR A 116 1.822 2.057 8.022 1.00 0.00 H new ATOM 0 HA THR A 116 3.390 3.526 5.983 1.00 0.00 H new ATOM 0 HB THR A 116 3.023 5.512 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.388 5.598 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.598 5.943 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.423 5.078 5.388 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.358 4.192 6.505 1.00 0.00 H new ATOM 1797 N THR A 117 5.101 4.105 8.045 1.00 0.00 N ATOM 1798 CA THR A 117 6.101 4.125 9.101 1.00 0.00 C ATOM 1799 C THR A 117 6.234 5.569 9.587 1.00 0.00 C ATOM 1800 O THR A 117 6.192 6.515 8.792 1.00 0.00 O ATOM 1801 CB THR A 117 7.418 3.480 8.618 1.00 0.00 C ATOM 1802 OG1 THR A 117 8.486 3.808 9.487 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.798 3.892 7.192 1.00 0.00 C ATOM 0 H THR A 117 5.178 4.888 7.395 1.00 0.00 H new ATOM 0 HA THR A 117 5.802 3.518 9.955 1.00 0.00 H new ATOM 0 HB THR A 117 7.243 2.404 8.623 1.00 0.00 H new ATOM 0 HG1 THR A 117 9.311 3.388 9.164 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.732 3.406 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 117 7.009 3.589 6.503 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.923 4.974 7.147 1.00 0.00 H new ATOM 1811 N ALA A 118 6.398 5.731 10.901 1.00 0.00 N ATOM 1812 CA ALA A 118 6.708 6.993 11.560 1.00 0.00 C ATOM 1813 C ALA A 118 8.115 6.962 12.167 1.00 0.00 C ATOM 1814 O ALA A 118 8.593 7.965 12.699 1.00 0.00 O ATOM 1815 CB ALA A 118 5.655 7.259 12.638 1.00 0.00 C ATOM 0 H ALA A 118 6.315 4.955 11.557 1.00 0.00 H new ATOM 0 HA ALA A 118 6.689 7.799 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.877 8.202 13.138 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.669 7.316 12.177 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.668 6.449 13.367 1.00 0.00 H new ATOM 1821 N THR A 119 8.789 5.817 12.097 1.00 0.00 N ATOM 1822 CA THR A 119 9.956 5.463 12.891 1.00 0.00 C ATOM 1823 C THR A 119 11.229 5.479 12.035 1.00 0.00 C ATOM 1824 O THR A 119 12.217 4.817 12.353 1.00 0.00 O ATOM 1825 CB THR A 119 9.646 4.097 13.537 1.00 0.00 C ATOM 1826 OG1 THR A 119 9.116 3.173 12.598 1.00 0.00 O ATOM 1827 CG2 THR A 119 8.588 4.250 14.629 1.00 0.00 C ATOM 0 H THR A 119 8.520 5.075 11.451 1.00 0.00 H new ATOM 0 HA THR A 119 10.155 6.190 13.679 1.00 0.00 H new ATOM 0 HB THR A 119 10.592 3.731 13.937 1.00 0.00 H new ATOM 0 HG1 THR A 119 8.934 2.320 13.045 1.00 0.00 H new ATOM 0 HG21 THR A 119 8.381 3.277 15.074 1.00 0.00 H new ATOM 0 HG22 THR A 119 8.954 4.930 15.398 1.00 0.00 H new ATOM 0 HG23 THR A 119 7.673 4.652 14.195 1.00 0.00 H new ATOM 1835 N TYR A 120 11.177 6.170 10.898 1.00 0.00 N ATOM 1836 CA TYR A 120 12.169 6.126 9.841 1.00 0.00 C ATOM 1837 C TYR A 120 13.473 6.829 10.243 1.00 0.00 C ATOM 1838 O TYR A 120 13.507 7.669 11.152 1.00 0.00 O ATOM 1839 CB TYR A 120 11.559 6.768 8.580 1.00 0.00 C ATOM 1840 CG TYR A 120 10.894 8.115 8.843 1.00 0.00 C ATOM 1841 CD1 TYR A 120 11.658 9.298 8.864 1.00 0.00 C ATOM 1842 CD2 TYR A 120 9.522 8.167 9.159 1.00 0.00 C ATOM 1843 CE1 TYR A 120 11.070 10.509 9.279 1.00 0.00 C ATOM 1844 CE2 TYR A 120 8.923 9.384 9.528 1.00 0.00 C ATOM 1845 CZ TYR A 120 9.697 10.562 9.607 1.00 0.00 C ATOM 1846 OH TYR A 120 9.110 11.761 9.890 1.00 0.00 O ATOM 0 H TYR A 120 10.405 6.802 10.685 1.00 0.00 H new ATOM 0 HA TYR A 120 12.433 5.087 9.643 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.342 6.898 7.833 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.823 6.086 8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 120 12.695 9.277 8.562 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.927 7.267 9.117 1.00 0.00 H new ATOM 0 HE1 TYR A 120 11.673 11.403 9.347 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.867 9.418 9.752 1.00 0.00 H new ATOM 0 HH TYR A 120 8.162 11.621 10.094 1.00 0.00 H new ATOM 1856 N ALA A 121 14.547 6.519 9.520 1.00 0.00 N ATOM 1857 CA ALA A 121 15.811 7.239 9.553 1.00 0.00 C ATOM 1858 C ALA A 121 15.751 8.454 8.604 1.00 0.00 C ATOM 1859 O ALA A 121 15.031 8.400 7.602 1.00 0.00 O ATOM 1860 CB ALA A 121 16.911 6.254 9.158 1.00 0.00 C ATOM 0 H ALA A 121 14.558 5.731 8.873 1.00 0.00 H new ATOM 0 HA ALA A 121 16.020 7.630 10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 121 17.876 6.761 9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 121 16.927 5.424 9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 121 16.716 5.873 8.155 1.00 0.00 H new ATOM 1866 N PRO A 122 16.497 9.547 8.860 1.00 0.00 N ATOM 1867 CA PRO A 122 16.396 10.784 8.095 1.00 0.00 C ATOM 1868 C PRO A 122 16.848 10.642 6.647 1.00 0.00 C ATOM 1869 O PRO A 122 16.355 11.383 5.800 1.00 0.00 O ATOM 1870 CB PRO A 122 17.259 11.808 8.836 1.00 0.00 C ATOM 1871 CG PRO A 122 18.280 10.951 9.574 1.00 0.00 C ATOM 1872 CD PRO A 122 17.461 9.718 9.930 1.00 0.00 C ATOM 0 HA PRO A 122 15.352 11.090 8.029 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.741 12.500 8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.666 12.408 9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 122 19.136 10.705 8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 122 18.669 11.452 10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 122 18.100 8.840 10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 122 16.959 9.848 10.889 1.00 0.00 H new ATOM 1880 N GLU A 123 17.728 9.685 6.349 1.00 0.00 N ATOM 1881 CA GLU A 123 18.200 9.404 4.998 1.00 0.00 C ATOM 1882 C GLU A 123 17.054 9.192 4.015 1.00 0.00 C ATOM 1883 O GLU A 123 17.177 9.538 2.839 1.00 0.00 O ATOM 1884 CB GLU A 123 19.184 8.220 4.959 1.00 0.00 C ATOM 1885 CG GLU A 123 18.791 7.011 5.830 1.00 0.00 C ATOM 1886 CD GLU A 123 19.523 7.036 7.174 1.00 0.00 C ATOM 1887 OE1 GLU A 123 19.464 8.067 7.882 1.00 0.00 O ATOM 1888 OE2 GLU A 123 20.196 6.041 7.509 1.00 0.00 O ATOM 0 H GLU A 123 18.138 9.074 7.055 1.00 0.00 H new ATOM 0 HA GLU A 123 18.743 10.294 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.285 7.886 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.165 8.573 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.714 7.016 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.026 6.087 5.302 1.00 0.00 H new ATOM 1895 N TRP A 124 15.928 8.667 4.495 1.00 0.00 N ATOM 1896 CA TRP A 124 14.802 8.343 3.652 1.00 0.00 C ATOM 1897 C TRP A 124 14.012 9.592 3.256 1.00 0.00 C ATOM 1898 O TRP A 124 13.193 9.523 2.347 1.00 0.00 O ATOM 1899 CB TRP A 124 13.969 7.283 4.376 1.00 0.00 C ATOM 1900 CG TRP A 124 14.612 5.923 4.503 1.00 0.00 C ATOM 1901 CD1 TRP A 124 15.863 5.558 4.120 1.00 0.00 C ATOM 1902 CD2 TRP A 124 14.009 4.715 5.041 1.00 0.00 C ATOM 1903 NE1 TRP A 124 16.044 4.203 4.333 1.00 0.00 N ATOM 1904 CE2 TRP A 124 14.934 3.638 4.915 1.00 0.00 C ATOM 1905 CE3 TRP A 124 12.739 4.417 5.571 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 14.620 2.334 5.317 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 12.416 3.113 5.982 1.00 0.00 C ATOM 1908 CH2 TRP A 124 13.356 2.074 5.867 1.00 0.00 C ATOM 0 H TRP A 124 15.781 8.458 5.482 1.00 0.00 H new ATOM 0 HA TRP A 124 15.136 7.928 2.701 1.00 0.00 H new ATOM 0 HB2 TRP A 124 13.736 7.650 5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.021 7.169 3.850 1.00 0.00 H new ATOM 0 HD1 TRP A 124 16.606 6.226 3.710 1.00 0.00 H new ATOM 0 HE1 TRP A 124 16.891 3.690 4.090 1.00 0.00 H new ATOM 0 HE3 TRP A 124 12.003 5.202 5.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 15.342 1.538 5.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.437 2.907 6.390 1.00 0.00 H new ATOM 0 HH2 TRP A 124 13.106 1.078 6.201 1.00 0.00 H new ATOM 1919 N LEU A 125 14.264 10.748 3.879 1.00 0.00 N ATOM 1920 CA LEU A 125 13.681 12.016 3.448 1.00 0.00 C ATOM 1921 C LEU A 125 14.509 12.673 2.350 1.00 0.00 C ATOM 1922 O LEU A 125 14.001 13.590 1.702 1.00 0.00 O ATOM 1923 CB LEU A 125 13.529 12.987 4.632 1.00 0.00 C ATOM 1924 CG LEU A 125 12.323 12.739 5.543 1.00 0.00 C ATOM 1925 CD1 LEU A 125 10.982 12.781 4.801 1.00 0.00 C ATOM 1926 CD2 LEU A 125 12.412 11.416 6.292 1.00 0.00 C ATOM 0 H LEU A 125 14.875 10.828 4.692 1.00 0.00 H new ATOM 0 HA LEU A 125 12.694 11.789 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 125 14.434 12.938 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 125 13.462 14.002 4.240 1.00 0.00 H new ATOM 0 HG LEU A 125 12.358 13.563 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.171 12.598 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.850 13.761 4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 125 10.971 12.014 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 125 11.531 11.294 6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 125 12.463 10.595 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.306 11.410 6.915 1.00 0.00 H new ATOM 1938 N PHE A 126 15.755 12.253 2.131 1.00 0.00 N ATOM 1939 CA PHE A 126 16.566 12.738 1.012 1.00 0.00 C ATOM 1940 C PHE A 126 16.278 11.946 -0.273 1.00 0.00 C ATOM 1941 O PHE A 126 16.760 12.335 -1.340 1.00 0.00 O ATOM 1942 CB PHE A 126 18.064 12.671 1.358 1.00 0.00 C ATOM 1943 CG PHE A 126 18.439 13.122 2.761 1.00 0.00 C ATOM 1944 CD1 PHE A 126 17.922 14.311 3.309 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.298 12.325 3.537 1.00 0.00 C ATOM 1946 CE1 PHE A 126 18.203 14.662 4.641 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.567 12.667 4.874 1.00 0.00 C ATOM 1948 CZ PHE A 126 19.014 13.829 5.430 1.00 0.00 C ATOM 0 H PHE A 126 16.230 11.570 2.721 1.00 0.00 H new ATOM 0 HA PHE A 126 16.294 13.778 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 126 18.403 11.644 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 126 18.611 13.283 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 126 17.306 14.958 2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 126 19.753 11.446 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 126 17.796 15.571 5.058 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.202 12.032 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.211 14.083 6.461 1.00 0.00 H new ATOM 1958 N LEU A 127 15.535 10.835 -0.179 1.00 0.00 N ATOM 1959 CA LEU A 127 15.181 9.969 -1.303 1.00 0.00 C ATOM 1960 C LEU A 127 14.140 10.645 -2.212 1.00 0.00 C ATOM 1961 O LEU A 127 13.417 11.535 -1.747 1.00 0.00 O ATOM 1962 CB LEU A 127 14.616 8.632 -0.778 1.00 0.00 C ATOM 1963 CG LEU A 127 15.647 7.696 -0.122 1.00 0.00 C ATOM 1964 CD1 LEU A 127 14.939 6.459 0.444 1.00 0.00 C ATOM 1965 CD2 LEU A 127 16.730 7.226 -1.099 1.00 0.00 C ATOM 0 H LEU A 127 15.154 10.508 0.709 1.00 0.00 H new ATOM 0 HA LEU A 127 16.083 9.783 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.832 8.848 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 127 14.146 8.104 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 127 16.130 8.271 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 127 15.673 5.800 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 127 14.207 6.768 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 127 14.433 5.929 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 127 17.428 6.569 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 127 16.266 6.684 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 127 17.267 8.090 -1.490 1.00 0.00 H new ATOM 1977 N PRO A 128 14.040 10.208 -3.483 1.00 0.00 N ATOM 1978 CA PRO A 128 13.058 10.701 -4.442 1.00 0.00 C ATOM 1979 C PRO A 128 11.669 10.116 -4.187 1.00 0.00 C ATOM 1980 O PRO A 128 11.536 9.018 -3.642 1.00 0.00 O ATOM 1981 CB PRO A 128 13.569 10.246 -5.812 1.00 0.00 C ATOM 1982 CG PRO A 128 14.242 8.921 -5.472 1.00 0.00 C ATOM 1983 CD PRO A 128 14.908 9.239 -4.138 1.00 0.00 C ATOM 0 HA PRO A 128 12.953 11.783 -4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 128 12.758 10.120 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 128 14.269 10.961 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 128 13.522 8.108 -5.385 1.00 0.00 H new ATOM 0 HG3 PRO A 128 14.967 8.625 -6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 128 15.018 8.340 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 128 15.908 9.647 -4.287 1.00 0.00 H new ATOM 1991 N TYR A 129 10.644 10.832 -4.647 1.00 0.00 N ATOM 1992 CA TYR A 129 9.248 10.457 -4.523 1.00 0.00 C ATOM 1993 C TYR A 129 8.656 10.014 -5.857 1.00 0.00 C ATOM 1994 O TYR A 129 9.063 10.492 -6.920 1.00 0.00 O ATOM 1995 CB TYR A 129 8.485 11.656 -3.961 1.00 0.00 C ATOM 1996 CG TYR A 129 8.943 12.154 -2.606 1.00 0.00 C ATOM 1997 CD1 TYR A 129 9.402 11.260 -1.625 1.00 0.00 C ATOM 1998 CD2 TYR A 129 8.905 13.529 -2.324 1.00 0.00 C ATOM 1999 CE1 TYR A 129 9.819 11.734 -0.373 1.00 0.00 C ATOM 2000 CE2 TYR A 129 9.233 13.999 -1.044 1.00 0.00 C ATOM 2001 CZ TYR A 129 9.705 13.103 -0.062 1.00 0.00 C ATOM 2002 OH TYR A 129 10.036 13.536 1.186 1.00 0.00 O ATOM 0 H TYR A 129 10.774 11.720 -5.132 1.00 0.00 H new ATOM 0 HA TYR A 129 9.163 9.603 -3.851 1.00 0.00 H new ATOM 0 HB2 TYR A 129 8.561 12.477 -4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 129 7.430 11.391 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.434 10.201 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.622 14.228 -3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 129 10.228 11.048 0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 129 9.124 15.048 -0.810 1.00 0.00 H new ATOM 0 HH TYR A 129 10.646 14.300 1.116 1.00 0.00 H new ATOM 2012 N HIS A 130 7.648 9.139 -5.795 1.00 0.00 N ATOM 2013 CA HIS A 130 7.001 8.526 -6.958 1.00 0.00 C ATOM 2014 C HIS A 130 5.475 8.519 -6.794 1.00 0.00 C ATOM 2015 O HIS A 130 4.975 8.773 -5.697 1.00 0.00 O ATOM 2016 CB HIS A 130 7.565 7.108 -7.141 1.00 0.00 C ATOM 2017 CG HIS A 130 9.060 7.084 -7.373 1.00 0.00 C ATOM 2018 ND1 HIS A 130 9.685 7.180 -8.595 1.00 0.00 N ATOM 2019 CD2 HIS A 130 10.040 7.030 -6.411 1.00 0.00 C ATOM 2020 CE1 HIS A 130 11.006 7.167 -8.374 1.00 0.00 C ATOM 2021 NE2 HIS A 130 11.280 7.091 -7.061 1.00 0.00 N ATOM 0 H HIS A 130 7.249 8.829 -4.909 1.00 0.00 H new ATOM 0 HA HIS A 130 7.214 9.109 -7.854 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.332 6.515 -6.257 1.00 0.00 H new ATOM 0 HB3 HIS A 130 7.066 6.632 -7.985 1.00 0.00 H new ATOM 0 HD1 HIS A 130 9.226 7.249 -9.503 1.00 0.00 H new ATOM 0 HD2 HIS A 130 9.883 6.954 -5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 130 11.755 7.212 -9.151 1.00 0.00 H new ATOM 2029 N GLU A 131 4.735 8.229 -7.871 1.00 0.00 N ATOM 2030 CA GLU A 131 3.272 8.347 -7.934 1.00 0.00 C ATOM 2031 C GLU A 131 2.574 6.984 -8.088 1.00 0.00 C ATOM 2032 O GLU A 131 1.347 6.875 -8.013 1.00 0.00 O ATOM 2033 CB GLU A 131 2.899 9.264 -9.106 1.00 0.00 C ATOM 2034 CG GLU A 131 2.846 10.722 -8.657 1.00 0.00 C ATOM 2035 CD GLU A 131 2.536 11.635 -9.841 1.00 0.00 C ATOM 2036 OE1 GLU A 131 3.478 11.917 -10.611 1.00 0.00 O ATOM 2037 OE2 GLU A 131 1.372 12.062 -10.032 1.00 0.00 O ATOM 0 H GLU A 131 5.146 7.898 -8.744 1.00 0.00 H new ATOM 0 HA GLU A 131 2.928 8.770 -6.990 1.00 0.00 H new ATOM 0 HB2 GLU A 131 3.629 9.152 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 131 1.932 8.968 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 131 2.084 10.844 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 131 3.799 11.006 -8.211 1.00 0.00 H new ATOM 2044 N SER A 132 3.347 5.925 -8.301 1.00 0.00 N ATOM 2045 CA SER A 132 2.915 4.541 -8.237 1.00 0.00 C ATOM 2046 C SER A 132 4.134 3.668 -7.902 1.00 0.00 C ATOM 2047 O SER A 132 5.266 4.171 -7.840 1.00 0.00 O ATOM 2048 CB SER A 132 2.196 4.166 -9.548 1.00 0.00 C ATOM 2049 OG SER A 132 3.043 4.100 -10.681 1.00 0.00 O ATOM 0 H SER A 132 4.336 6.016 -8.533 1.00 0.00 H new ATOM 0 HA SER A 132 2.184 4.375 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.708 3.200 -9.417 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.410 4.897 -9.739 1.00 0.00 H new ATOM 0 HG SER A 132 2.936 3.230 -11.119 1.00 0.00 H new ATOM 2055 N TYR A 133 3.938 2.366 -7.689 1.00 0.00 N ATOM 2056 CA TYR A 133 5.012 1.401 -7.468 1.00 0.00 C ATOM 2057 C TYR A 133 4.666 0.146 -8.260 1.00 0.00 C ATOM 2058 O TYR A 133 3.687 -0.534 -7.942 1.00 0.00 O ATOM 2059 CB TYR A 133 5.211 1.146 -5.965 1.00 0.00 C ATOM 2060 CG TYR A 133 6.113 -0.026 -5.636 1.00 0.00 C ATOM 2061 CD1 TYR A 133 7.495 0.059 -5.885 1.00 0.00 C ATOM 2062 CD2 TYR A 133 5.573 -1.198 -5.068 1.00 0.00 C ATOM 2063 CE1 TYR A 133 8.342 -1.013 -5.561 1.00 0.00 C ATOM 2064 CE2 TYR A 133 6.418 -2.266 -4.721 1.00 0.00 C ATOM 2065 CZ TYR A 133 7.810 -2.168 -4.958 1.00 0.00 C ATOM 2066 OH TYR A 133 8.639 -3.197 -4.658 1.00 0.00 O ATOM 0 H TYR A 133 3.009 1.946 -7.665 1.00 0.00 H new ATOM 0 HA TYR A 133 5.971 1.780 -7.821 1.00 0.00 H new ATOM 0 HB2 TYR A 133 5.626 2.045 -5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 133 4.237 0.977 -5.507 1.00 0.00 H new ATOM 0 HD1 TYR A 133 7.907 0.954 -6.328 1.00 0.00 H new ATOM 0 HD2 TYR A 133 4.509 -1.275 -4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 133 9.399 -0.951 -5.774 1.00 0.00 H new ATOM 0 HE2 TYR A 133 6.006 -3.159 -4.275 1.00 0.00 H new ATOM 0 HH TYR A 133 8.497 -3.471 -3.728 1.00 0.00 H new ATOM 2076 N ASP A 134 5.412 -0.107 -9.337 1.00 0.00 N ATOM 2077 CA ASP A 134 5.096 -1.112 -10.347 1.00 0.00 C ATOM 2078 C ASP A 134 6.389 -1.802 -10.756 1.00 0.00 C ATOM 2079 O ASP A 134 7.324 -1.145 -11.225 1.00 0.00 O ATOM 2080 CB ASP A 134 4.471 -0.473 -11.601 1.00 0.00 C ATOM 2081 CG ASP A 134 3.199 0.321 -11.307 1.00 0.00 C ATOM 2082 OD1 ASP A 134 2.133 -0.304 -11.102 1.00 0.00 O ATOM 2083 OD2 ASP A 134 3.293 1.572 -11.249 1.00 0.00 O ATOM 0 H ASP A 134 6.277 0.397 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 134 4.380 -1.816 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 134 5.203 0.187 -12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 134 4.243 -1.256 -12.324 1.00 0.00 H new ATOM 2088 N SER A 135 6.431 -3.125 -10.619 1.00 0.00 N ATOM 2089 CA SER A 135 7.547 -3.959 -11.032 1.00 0.00 C ATOM 2090 C SER A 135 7.795 -3.798 -12.532 1.00 0.00 C ATOM 2091 O SER A 135 8.934 -3.869 -12.974 1.00 0.00 O ATOM 2092 CB SER A 135 7.226 -5.411 -10.658 1.00 0.00 C ATOM 2093 OG SER A 135 8.346 -6.261 -10.755 1.00 0.00 O ATOM 0 H SER A 135 5.666 -3.658 -10.205 1.00 0.00 H new ATOM 0 HA SER A 135 8.463 -3.658 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 135 6.839 -5.442 -9.639 1.00 0.00 H new ATOM 0 HB3 SER A 135 6.436 -5.783 -11.310 1.00 0.00 H new ATOM 0 HG SER A 135 8.087 -7.173 -10.505 1.00 0.00 H new ATOM 2099 N GLU A 136 6.759 -3.509 -13.322 1.00 0.00 N ATOM 2100 CA GLU A 136 6.887 -3.274 -14.754 1.00 0.00 C ATOM 2101 C GLU A 136 7.754 -2.052 -15.089 1.00 0.00 C ATOM 2102 O GLU A 136 8.180 -1.931 -16.239 1.00 0.00 O ATOM 2103 CB GLU A 136 5.487 -3.080 -15.356 1.00 0.00 C ATOM 2104 CG GLU A 136 4.664 -4.371 -15.347 1.00 0.00 C ATOM 2105 CD GLU A 136 5.243 -5.450 -16.259 1.00 0.00 C ATOM 2106 OE1 GLU A 136 5.384 -5.183 -17.474 1.00 0.00 O ATOM 2107 OE2 GLU A 136 5.444 -6.590 -15.782 1.00 0.00 O ATOM 0 H GLU A 136 5.801 -3.432 -12.979 1.00 0.00 H new ATOM 0 HA GLU A 136 7.384 -4.145 -15.181 1.00 0.00 H new ATOM 0 HB2 GLU A 136 4.957 -2.310 -14.795 1.00 0.00 H new ATOM 0 HB3 GLU A 136 5.582 -2.720 -16.380 1.00 0.00 H new ATOM 0 HG2 GLU A 136 4.609 -4.754 -14.328 1.00 0.00 H new ATOM 0 HG3 GLU A 136 3.644 -4.148 -15.659 1.00 0.00 H new ATOM 2114 N GLY A 137 8.011 -1.137 -14.150 1.00 0.00 N ATOM 2115 CA GLY A 137 8.563 0.161 -14.504 1.00 0.00 C ATOM 2116 C GLY A 137 10.031 0.072 -14.951 1.00 0.00 C ATOM 2117 O GLY A 137 10.766 -0.828 -14.513 1.00 0.00 O ATOM 0 H GLY A 137 7.846 -1.274 -13.153 1.00 0.00 H new ATOM 0 HA2 GLY A 137 7.968 0.599 -15.305 1.00 0.00 H new ATOM 0 HA3 GLY A 137 8.487 0.831 -13.647 1.00 0.00 H new ATOM 2121 N PRO A 138 10.506 1.023 -15.777 1.00 0.00 N ATOM 2122 CA PRO A 138 11.868 1.010 -16.296 1.00 0.00 C ATOM 2123 C PRO A 138 12.964 1.190 -15.244 1.00 0.00 C ATOM 2124 O PRO A 138 14.129 1.035 -15.607 1.00 0.00 O ATOM 2125 CB PRO A 138 11.932 2.088 -17.386 1.00 0.00 C ATOM 2126 CG PRO A 138 10.753 3.006 -17.089 1.00 0.00 C ATOM 2127 CD PRO A 138 9.733 2.075 -16.431 1.00 0.00 C ATOM 0 HA PRO A 138 12.079 0.018 -16.695 1.00 0.00 H new ATOM 0 HB2 PRO A 138 12.876 2.632 -17.351 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.853 1.651 -18.381 1.00 0.00 H new ATOM 0 HG2 PRO A 138 11.037 3.823 -16.426 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.356 3.457 -17.999 1.00 0.00 H new ATOM 0 HD2 PRO A 138 9.122 2.616 -15.708 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.054 1.655 -17.173 1.00 0.00 H new ATOM 2135 N HIS A 139 12.650 1.464 -13.970 1.00 0.00 N ATOM 2136 CA HIS A 139 13.652 1.737 -12.945 1.00 0.00 C ATOM 2137 C HIS A 139 14.775 0.691 -12.924 1.00 0.00 C ATOM 2138 O HIS A 139 15.962 1.026 -12.884 1.00 0.00 O ATOM 2139 CB HIS A 139 13.053 1.789 -11.534 1.00 0.00 C ATOM 2140 CG HIS A 139 11.804 2.594 -11.295 1.00 0.00 C ATOM 2141 ND1 HIS A 139 11.740 3.890 -10.830 1.00 0.00 N ATOM 2142 CD2 HIS A 139 10.528 2.098 -11.330 1.00 0.00 C ATOM 2143 CE1 HIS A 139 10.441 4.185 -10.642 1.00 0.00 C ATOM 2144 NE2 HIS A 139 9.669 3.116 -10.909 1.00 0.00 N ATOM 0 H HIS A 139 11.690 1.501 -13.626 1.00 0.00 H new ATOM 0 HA HIS A 139 14.056 2.713 -13.215 1.00 0.00 H new ATOM 0 HB2 HIS A 139 12.846 0.764 -11.228 1.00 0.00 H new ATOM 0 HB3 HIS A 139 13.823 2.172 -10.865 1.00 0.00 H new ATOM 0 HD2 HIS A 139 10.239 1.101 -11.629 1.00 0.00 H new ATOM 0 HE1 HIS A 139 10.069 5.147 -10.321 1.00 0.00 H new ATOM 0 HE2 HIS A 139 8.654 3.060 -10.821 1.00 0.00 H new ATOM 2152 N GLY A 140 14.380 -0.584 -12.905 1.00 0.00 N ATOM 2153 CA GLY A 140 15.260 -1.715 -12.652 1.00 0.00 C ATOM 2154 C GLY A 140 15.417 -2.052 -11.167 1.00 0.00 C ATOM 2155 O GLY A 140 16.115 -3.014 -10.860 1.00 0.00 O ATOM 0 H GLY A 140 13.412 -0.860 -13.070 1.00 0.00 H new ATOM 0 HA2 GLY A 140 14.873 -2.589 -13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 140 16.242 -1.501 -13.073 1.00 0.00 H new ATOM 2159 N LEU A 141 14.734 -1.333 -10.263 1.00 0.00 N ATOM 2160 CA LEU A 141 14.644 -1.649 -8.838 1.00 0.00 C ATOM 2161 C LEU A 141 13.275 -2.265 -8.536 1.00 0.00 C ATOM 2162 O LEU A 141 12.287 -1.550 -8.376 1.00 0.00 O ATOM 2163 CB LEU A 141 15.024 -0.451 -7.924 1.00 0.00 C ATOM 2164 CG LEU A 141 14.667 0.996 -8.324 1.00 0.00 C ATOM 2165 CD1 LEU A 141 13.168 1.304 -8.279 1.00 0.00 C ATOM 2166 CD2 LEU A 141 15.355 1.974 -7.361 1.00 0.00 C ATOM 0 H LEU A 141 14.215 -0.492 -10.516 1.00 0.00 H new ATOM 0 HA LEU A 141 15.398 -2.398 -8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 141 14.569 -0.635 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 141 16.104 -0.486 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 141 15.004 1.108 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 141 13.000 2.340 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 141 12.640 0.642 -8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 141 12.795 1.150 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 141 15.105 2.997 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 141 15.014 1.783 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 141 16.435 1.837 -7.414 1.00 0.00 H new ATOM 2178 N ARG A 142 13.188 -3.596 -8.497 1.00 0.00 N ATOM 2179 CA ARG A 142 11.944 -4.313 -8.200 1.00 0.00 C ATOM 2180 C ARG A 142 12.092 -5.163 -6.939 1.00 0.00 C ATOM 2181 O ARG A 142 13.210 -5.394 -6.487 1.00 0.00 O ATOM 2182 CB ARG A 142 11.521 -5.169 -9.407 1.00 0.00 C ATOM 2183 CG ARG A 142 11.251 -4.384 -10.701 1.00 0.00 C ATOM 2184 CD ARG A 142 12.491 -4.138 -11.576 1.00 0.00 C ATOM 2185 NE ARG A 142 12.147 -3.544 -12.889 1.00 0.00 N ATOM 2186 CZ ARG A 142 11.555 -4.201 -13.902 1.00 0.00 C ATOM 2187 NH1 ARG A 142 11.308 -5.506 -13.809 1.00 0.00 N ATOM 2188 NH2 ARG A 142 11.201 -3.546 -15.002 1.00 0.00 N ATOM 0 H ARG A 142 13.983 -4.211 -8.671 1.00 0.00 H new ATOM 0 HA ARG A 142 11.158 -3.582 -8.011 1.00 0.00 H new ATOM 0 HB2 ARG A 142 12.302 -5.904 -9.603 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.621 -5.723 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.510 -4.925 -11.289 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.811 -3.422 -10.440 1.00 0.00 H new ATOM 0 HD2 ARG A 142 13.178 -3.476 -11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 142 13.015 -5.081 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 142 12.377 -2.561 -13.036 1.00 0.00 H new ATOM 0 HH11 ARG A 142 11.568 -6.015 -12.964 1.00 0.00 H new ATOM 0 HH12 ARG A 142 10.859 -5.996 -14.582 1.00 0.00 H new ATOM 0 HH21 ARG A 142 11.378 -2.544 -15.078 1.00 0.00 H new ATOM 0 HH22 ARG A 142 10.752 -4.045 -15.770 1.00 0.00 H new ATOM 2202 N TYR A 143 10.968 -5.581 -6.344 1.00 0.00 N ATOM 2203 CA TYR A 143 10.980 -6.291 -5.060 1.00 0.00 C ATOM 2204 C TYR A 143 11.670 -7.641 -5.238 1.00 0.00 C ATOM 2205 O TYR A 143 11.444 -8.312 -6.249 1.00 0.00 O ATOM 2206 CB TYR A 143 9.551 -6.520 -4.523 1.00 0.00 C ATOM 2207 CG TYR A 143 9.420 -7.099 -3.121 1.00 0.00 C ATOM 2208 CD1 TYR A 143 10.313 -6.753 -2.083 1.00 0.00 C ATOM 2209 CD2 TYR A 143 8.329 -7.941 -2.832 1.00 0.00 C ATOM 2210 CE1 TYR A 143 10.183 -7.331 -0.811 1.00 0.00 C ATOM 2211 CE2 TYR A 143 8.127 -8.430 -1.534 1.00 0.00 C ATOM 2212 CZ TYR A 143 9.081 -8.162 -0.528 1.00 0.00 C ATOM 2213 OH TYR A 143 8.883 -8.620 0.735 1.00 0.00 O ATOM 0 H TYR A 143 10.036 -5.439 -6.733 1.00 0.00 H new ATOM 0 HA TYR A 143 11.520 -5.677 -4.339 1.00 0.00 H new ATOM 0 HB2 TYR A 143 9.025 -5.566 -4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 143 9.033 -7.186 -5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 143 11.101 -6.039 -2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 143 7.641 -8.213 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 143 10.926 -7.139 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 143 7.245 -9.010 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 143 8.078 -9.179 0.758 1.00 0.00 H new ATOM 2223 N ASN A 144 12.408 -8.094 -4.223 1.00 0.00 N ATOM 2224 CA ASN A 144 13.035 -9.414 -4.219 1.00 0.00 C ATOM 2225 C ASN A 144 12.555 -10.221 -3.011 1.00 0.00 C ATOM 2226 O ASN A 144 13.200 -10.185 -1.962 1.00 0.00 O ATOM 2227 CB ASN A 144 14.566 -9.258 -4.270 1.00 0.00 C ATOM 2228 CG ASN A 144 15.047 -8.890 -5.669 1.00 0.00 C ATOM 2229 OD1 ASN A 144 14.586 -9.420 -6.674 1.00 0.00 O ATOM 2230 ND2 ASN A 144 16.011 -8.003 -5.783 1.00 0.00 N ATOM 0 H ASN A 144 12.587 -7.552 -3.378 1.00 0.00 H new ATOM 0 HA ASN A 144 12.739 -9.975 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 144 14.877 -8.489 -3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 144 15.038 -10.189 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 144 16.372 -7.758 -6.705 1.00 0.00 H new ATOM 0 HD22 ASN A 144 16.397 -7.560 -4.950 1.00 0.00 H new