USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 271 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 77 ASN : amide:sc= -1.4 K(o=-3.8,f=-1.1) USER MOD Set 1.2: A 81 GLN : amide:sc= -2.43! K(o=-3.8!,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 38:sc= 0.304 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -1.41! C(o=-1.4!,f=-2.7!) USER MOD Single : A 82 GLN : amide:sc= -10.3! C(o=-10!,f=-2.7!) USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= -0.083 (180deg=-0.475) USER MOD Single : A 88 ASN : amide:sc= -5.09! K(o=-5.1!,f=0.42) USER MOD Single : A 90 SER OG : rot 176:sc= -1.45! USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 1.17 (180deg=0.683) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 7.313 -5.396 -9.709 1.00 0.00 N ATOM 2 CA THR A 68 5.915 -5.824 -9.419 1.00 0.00 C ATOM 3 C THR A 68 5.918 -7.067 -8.529 1.00 0.00 C ATOM 4 O THR A 68 6.348 -8.129 -8.930 1.00 0.00 O ATOM 5 CB THR A 68 5.187 -6.145 -10.727 1.00 0.00 C ATOM 6 OG1 THR A 68 5.418 -5.102 -11.665 1.00 0.00 O ATOM 7 CG2 THR A 68 3.683 -6.268 -10.458 1.00 0.00 C ATOM 0 HA THR A 68 5.402 -5.012 -8.904 1.00 0.00 H new ATOM 0 HB THR A 68 5.561 -7.086 -11.130 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.339 -4.779 -11.575 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.164 -6.497 -11.389 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.506 -7.067 -9.738 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.307 -5.328 -10.055 1.00 0.00 H new ATOM 15 N VAL A 69 5.420 -6.932 -7.328 1.00 0.00 N ATOM 16 CA VAL A 69 5.359 -8.081 -6.375 1.00 0.00 C ATOM 17 C VAL A 69 4.841 -7.564 -5.028 1.00 0.00 C ATOM 18 O VAL A 69 5.503 -6.805 -4.348 1.00 0.00 O ATOM 19 CB VAL A 69 6.749 -8.720 -6.186 1.00 0.00 C ATOM 20 CG1 VAL A 69 7.810 -7.642 -5.925 1.00 0.00 C ATOM 21 CG2 VAL A 69 6.704 -9.687 -4.994 1.00 0.00 C ATOM 0 H VAL A 69 5.046 -6.057 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 69 4.692 -8.844 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 69 7.014 -9.258 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.784 -8.114 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.849 -6.957 -6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.551 -7.088 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.685 -10.141 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.428 -9.140 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.967 -10.467 -5.186 1.00 0.00 H new ATOM 31 N LEU A 70 3.661 -7.962 -4.640 1.00 0.00 N ATOM 32 CA LEU A 70 3.100 -7.485 -3.339 1.00 0.00 C ATOM 33 C LEU A 70 3.256 -5.963 -3.237 1.00 0.00 C ATOM 34 O LEU A 70 3.065 -5.377 -2.190 1.00 0.00 O ATOM 35 CB LEU A 70 3.859 -8.143 -2.187 1.00 0.00 C ATOM 36 CG LEU A 70 3.838 -9.668 -2.348 1.00 0.00 C ATOM 37 CD1 LEU A 70 4.733 -10.301 -1.280 1.00 0.00 C ATOM 38 CD2 LEU A 70 2.401 -10.193 -2.195 1.00 0.00 C ATOM 0 H LEU A 70 3.059 -8.596 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 70 2.044 -7.749 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.888 -7.785 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.406 -7.863 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 70 4.207 -9.931 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.721 -11.385 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.753 -9.936 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.363 -10.033 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.395 -11.277 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.021 -9.932 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.766 -9.743 -2.958 1.00 0.00 H new ATOM 50 N SER A 71 3.609 -5.324 -4.318 1.00 0.00 N ATOM 51 CA SER A 71 3.790 -3.852 -4.302 1.00 0.00 C ATOM 52 C SER A 71 2.443 -3.172 -4.462 1.00 0.00 C ATOM 53 O SER A 71 1.756 -3.329 -5.452 1.00 0.00 O ATOM 54 CB SER A 71 4.721 -3.436 -5.441 1.00 0.00 C ATOM 55 OG SER A 71 4.757 -2.017 -5.525 1.00 0.00 O ATOM 0 H SER A 71 3.781 -5.768 -5.220 1.00 0.00 H new ATOM 0 HA SER A 71 4.232 -3.552 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.724 -3.827 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.373 -3.859 -6.383 1.00 0.00 H new ATOM 0 HG SER A 71 5.354 -1.747 -6.254 1.00 0.00 H new ATOM 61 N VAL A 72 2.065 -2.421 -3.476 1.00 0.00 N ATOM 62 CA VAL A 72 0.764 -1.713 -3.515 1.00 0.00 C ATOM 63 C VAL A 72 0.977 -0.301 -4.061 1.00 0.00 C ATOM 64 O VAL A 72 0.052 0.354 -4.504 1.00 0.00 O ATOM 65 CB VAL A 72 0.215 -1.649 -2.094 1.00 0.00 C ATOM 66 CG1 VAL A 72 0.069 -3.071 -1.544 1.00 0.00 C ATOM 67 CG2 VAL A 72 1.180 -0.855 -1.209 1.00 0.00 C ATOM 0 H VAL A 72 2.612 -2.265 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 72 0.059 -2.236 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.758 -1.158 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.323 -3.030 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.617 -3.637 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.043 -3.560 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.788 -0.809 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.153 -1.346 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.287 0.156 -1.603 1.00 0.00 H new ATOM 77 N GLY A 73 2.194 0.169 -4.041 1.00 0.00 N ATOM 78 CA GLY A 73 2.474 1.533 -4.567 1.00 0.00 C ATOM 79 C GLY A 73 1.877 1.668 -5.968 1.00 0.00 C ATOM 80 O GLY A 73 1.821 2.743 -6.527 1.00 0.00 O ATOM 0 H GLY A 73 3.006 -0.333 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.047 2.285 -3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.549 1.709 -4.599 1.00 0.00 H new ATOM 84 N GLY A 74 1.433 0.583 -6.541 1.00 0.00 N ATOM 85 CA GLY A 74 0.841 0.649 -7.907 1.00 0.00 C ATOM 86 C GLY A 74 -0.534 1.314 -7.841 1.00 0.00 C ATOM 87 O GLY A 74 -0.828 2.227 -8.588 1.00 0.00 O ATOM 0 H GLY A 74 1.455 -0.347 -6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.497 1.212 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.751 -0.354 -8.324 1.00 0.00 H new ATOM 91 N GLN A 75 -1.382 0.867 -6.952 1.00 0.00 N ATOM 92 CA GLN A 75 -2.732 1.476 -6.844 1.00 0.00 C ATOM 93 C GLN A 75 -2.630 2.784 -6.064 1.00 0.00 C ATOM 94 O GLN A 75 -3.272 3.764 -6.388 1.00 0.00 O ATOM 95 CB GLN A 75 -3.677 0.513 -6.119 1.00 0.00 C ATOM 96 CG GLN A 75 -4.090 -0.610 -7.073 1.00 0.00 C ATOM 97 CD GLN A 75 -2.854 -1.415 -7.482 1.00 0.00 C ATOM 98 OE1 GLN A 75 -2.091 -1.849 -6.642 1.00 0.00 O ATOM 99 NE2 GLN A 75 -2.623 -1.633 -8.748 1.00 0.00 N ATOM 0 H GLN A 75 -1.194 0.107 -6.298 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.125 1.675 -7.841 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.185 0.096 -5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.559 1.048 -5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.818 -1.262 -6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.573 -0.192 -7.956 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.263 -1.269 -9.453 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.802 -2.168 -9.032 1.00 0.00 H new ATOM 108 N VAL A 76 -1.821 2.814 -5.042 1.00 0.00 N ATOM 109 CA VAL A 76 -1.676 4.067 -4.253 1.00 0.00 C ATOM 110 C VAL A 76 -1.111 5.155 -5.166 1.00 0.00 C ATOM 111 O VAL A 76 -1.685 6.218 -5.314 1.00 0.00 O ATOM 112 CB VAL A 76 -0.725 3.831 -3.079 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.789 5.024 -2.124 1.00 0.00 C ATOM 114 CG2 VAL A 76 -1.137 2.559 -2.334 1.00 0.00 C ATOM 0 H VAL A 76 -1.256 2.028 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.646 4.376 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 76 0.292 3.718 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.111 4.857 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.495 5.930 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.807 5.137 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.459 2.391 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.155 2.670 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.092 1.708 -3.014 1.00 0.00 H new ATOM 124 N ASN A 77 0.003 4.892 -5.796 1.00 0.00 N ATOM 125 CA ASN A 77 0.586 5.906 -6.711 1.00 0.00 C ATOM 126 C ASN A 77 -0.479 6.298 -7.731 1.00 0.00 C ATOM 127 O ASN A 77 -0.745 7.457 -7.953 1.00 0.00 O ATOM 128 CB ASN A 77 1.799 5.322 -7.437 1.00 0.00 C ATOM 129 CG ASN A 77 2.434 6.399 -8.320 1.00 0.00 C ATOM 130 OD1 ASN A 77 2.838 6.126 -9.433 1.00 0.00 O ATOM 131 ND2 ASN A 77 2.538 7.618 -7.869 1.00 0.00 N ATOM 0 H ASN A 77 0.530 4.022 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 77 0.907 6.778 -6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.527 4.954 -6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.496 4.470 -8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.959 8.343 -8.451 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.199 7.847 -6.935 1.00 0.00 H new ATOM 138 N LEU A 78 -1.109 5.335 -8.340 1.00 0.00 N ATOM 139 CA LEU A 78 -2.173 5.655 -9.333 1.00 0.00 C ATOM 140 C LEU A 78 -3.122 6.695 -8.725 1.00 0.00 C ATOM 141 O LEU A 78 -3.417 7.712 -9.320 1.00 0.00 O ATOM 142 CB LEU A 78 -2.945 4.369 -9.660 1.00 0.00 C ATOM 143 CG LEU A 78 -4.005 4.631 -10.742 1.00 0.00 C ATOM 144 CD1 LEU A 78 -3.332 4.926 -12.093 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.896 3.389 -10.871 1.00 0.00 C ATOM 0 H LEU A 78 -0.935 4.341 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.735 6.057 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.252 3.600 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.425 3.988 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.604 5.496 -10.458 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.097 5.109 -12.848 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.697 5.807 -11.998 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.725 4.071 -12.391 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.653 3.562 -11.636 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.286 2.531 -11.152 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.384 3.190 -9.917 1.00 0.00 H new ATOM 157 N LEU A 79 -3.598 6.443 -7.540 1.00 0.00 N ATOM 158 CA LEU A 79 -4.531 7.396 -6.881 1.00 0.00 C ATOM 159 C LEU A 79 -3.909 8.799 -6.787 1.00 0.00 C ATOM 160 O LEU A 79 -4.611 9.791 -6.824 1.00 0.00 O ATOM 161 CB LEU A 79 -4.854 6.881 -5.468 1.00 0.00 C ATOM 162 CG LEU A 79 -6.192 7.471 -4.973 1.00 0.00 C ATOM 163 CD1 LEU A 79 -7.365 6.613 -5.470 1.00 0.00 C ATOM 164 CD2 LEU A 79 -6.212 7.495 -3.440 1.00 0.00 C ATOM 0 H LEU A 79 -3.379 5.610 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.442 7.466 -7.476 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.910 5.792 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.052 7.155 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.291 8.484 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.303 7.039 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.365 6.593 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.260 5.597 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.158 7.912 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.103 6.480 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.390 8.110 -3.075 1.00 0.00 H new ATOM 176 N ILE A 80 -2.610 8.906 -6.646 1.00 0.00 N ATOM 177 CA ILE A 80 -1.997 10.263 -6.529 1.00 0.00 C ATOM 178 C ILE A 80 -1.991 10.953 -7.902 1.00 0.00 C ATOM 179 O ILE A 80 -2.211 12.141 -8.012 1.00 0.00 O ATOM 180 CB ILE A 80 -0.558 10.143 -5.941 1.00 0.00 C ATOM 181 CG1 ILE A 80 -0.284 11.308 -4.971 1.00 0.00 C ATOM 182 CG2 ILE A 80 0.523 10.162 -7.041 1.00 0.00 C ATOM 183 CD1 ILE A 80 -0.555 12.653 -5.662 1.00 0.00 C ATOM 0 H ILE A 80 -1.957 8.124 -6.607 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.588 10.877 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.508 9.187 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.916 11.211 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.750 11.269 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.509 10.076 -6.584 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.364 9.325 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.461 11.098 -7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.357 13.467 -4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.096 12.753 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.596 12.694 -5.982 1.00 0.00 H new ATOM 195 N GLN A 81 -1.730 10.217 -8.943 1.00 0.00 N ATOM 196 CA GLN A 81 -1.691 10.825 -10.300 1.00 0.00 C ATOM 197 C GLN A 81 -3.079 11.344 -10.692 1.00 0.00 C ATOM 198 O GLN A 81 -3.238 12.493 -11.051 1.00 0.00 O ATOM 199 CB GLN A 81 -1.225 9.768 -11.307 1.00 0.00 C ATOM 200 CG GLN A 81 0.297 9.519 -11.149 1.00 0.00 C ATOM 201 CD GLN A 81 0.616 8.034 -11.357 1.00 0.00 C ATOM 202 OE1 GLN A 81 1.072 7.639 -12.411 1.00 0.00 O ATOM 203 NE2 GLN A 81 0.388 7.192 -10.386 1.00 0.00 N ATOM 0 H GLN A 81 -1.541 9.215 -8.913 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.997 11.665 -10.299 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.772 8.838 -11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.444 10.099 -12.322 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.848 10.121 -11.871 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.623 9.833 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.005 7.525 -9.501 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.593 6.201 -10.512 1.00 0.00 H new ATOM 212 N GLN A 82 -4.090 10.520 -10.622 1.00 0.00 N ATOM 213 CA GLN A 82 -5.454 11.005 -10.986 1.00 0.00 C ATOM 214 C GLN A 82 -5.762 12.211 -10.113 1.00 0.00 C ATOM 215 O GLN A 82 -6.300 13.206 -10.554 1.00 0.00 O ATOM 216 CB GLN A 82 -6.501 9.903 -10.720 1.00 0.00 C ATOM 217 CG GLN A 82 -6.694 9.043 -11.969 1.00 0.00 C ATOM 218 CD GLN A 82 -5.398 8.301 -12.292 1.00 0.00 C ATOM 219 OE1 GLN A 82 -5.228 7.797 -13.383 1.00 0.00 O ATOM 220 NE2 GLN A 82 -4.471 8.214 -11.382 1.00 0.00 N ATOM 0 H GLN A 82 -4.033 9.544 -10.332 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.489 11.267 -12.043 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.179 9.279 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.450 10.355 -10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.502 8.329 -11.809 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.985 9.670 -12.812 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.615 8.638 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.601 7.722 -11.586 1.00 0.00 H new ATOM 229 N ALA A 83 -5.424 12.110 -8.867 1.00 0.00 N ATOM 230 CA ALA A 83 -5.684 13.218 -7.928 1.00 0.00 C ATOM 231 C ALA A 83 -4.850 14.444 -8.328 1.00 0.00 C ATOM 232 O ALA A 83 -5.145 15.557 -7.941 1.00 0.00 O ATOM 233 CB ALA A 83 -5.299 12.749 -6.525 1.00 0.00 C ATOM 0 H ALA A 83 -4.972 11.294 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.737 13.499 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.482 13.551 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.898 11.879 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.242 12.482 -6.508 1.00 0.00 H new ATOM 239 N ILE A 84 -3.810 14.250 -9.101 1.00 0.00 N ATOM 240 CA ILE A 84 -2.959 15.398 -9.525 1.00 0.00 C ATOM 241 C ILE A 84 -3.520 15.987 -10.827 1.00 0.00 C ATOM 242 O ILE A 84 -3.058 17.006 -11.300 1.00 0.00 O ATOM 243 CB ILE A 84 -1.522 14.886 -9.747 1.00 0.00 C ATOM 244 CG1 ILE A 84 -0.805 14.726 -8.388 1.00 0.00 C ATOM 245 CG2 ILE A 84 -0.737 15.847 -10.647 1.00 0.00 C ATOM 246 CD1 ILE A 84 -0.230 16.066 -7.895 1.00 0.00 C ATOM 0 H ILE A 84 -3.515 13.341 -9.457 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.955 16.175 -8.760 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.572 13.916 -10.242 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.505 14.335 -7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.001 13.996 -8.483 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.274 15.467 -10.791 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.235 15.929 -11.613 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.692 16.830 -10.178 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.268 15.918 -6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.489 16.443 -8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.039 16.787 -7.776 1.00 0.00 H new ATOM 258 N ASP A 85 -4.505 15.351 -11.409 1.00 0.00 N ATOM 259 CA ASP A 85 -5.095 15.866 -12.685 1.00 0.00 C ATOM 260 C ASP A 85 -6.623 15.799 -12.614 1.00 0.00 C ATOM 261 O ASP A 85 -7.261 15.188 -13.447 1.00 0.00 O ATOM 262 CB ASP A 85 -4.607 15.005 -13.851 1.00 0.00 C ATOM 263 CG ASP A 85 -5.192 15.539 -15.158 1.00 0.00 C ATOM 264 OD1 ASP A 85 -5.050 14.866 -16.166 1.00 0.00 O ATOM 265 OD2 ASP A 85 -5.773 16.611 -15.130 1.00 0.00 O ATOM 0 H ASP A 85 -4.929 14.493 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.785 16.900 -12.833 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.518 15.018 -13.896 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.908 13.968 -13.702 1.00 0.00 H new ATOM 270 N PRO A 86 -7.204 16.435 -11.632 1.00 0.00 N ATOM 271 CA PRO A 86 -8.685 16.460 -11.453 1.00 0.00 C ATOM 272 C PRO A 86 -9.355 17.409 -12.451 1.00 0.00 C ATOM 273 O PRO A 86 -10.518 17.738 -12.328 1.00 0.00 O ATOM 274 CB PRO A 86 -8.855 16.967 -10.017 1.00 0.00 C ATOM 275 CG PRO A 86 -7.668 17.846 -9.794 1.00 0.00 C ATOM 276 CD PRO A 86 -6.517 17.203 -10.576 1.00 0.00 C ATOM 0 HA PRO A 86 -9.147 15.488 -11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -9.787 17.519 -9.898 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.879 16.143 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.861 18.860 -10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.428 17.917 -8.733 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.849 17.954 -10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.911 16.558 -9.940 1.00 0.00 H new ATOM 284 N LYS A 87 -8.621 17.856 -13.433 1.00 0.00 N ATOM 285 CA LYS A 87 -9.196 18.789 -14.439 1.00 0.00 C ATOM 286 C LYS A 87 -10.393 18.130 -15.123 1.00 0.00 C ATOM 287 O LYS A 87 -11.334 18.786 -15.523 1.00 0.00 O ATOM 288 CB LYS A 87 -8.134 19.124 -15.495 1.00 0.00 C ATOM 289 CG LYS A 87 -6.857 19.670 -14.823 1.00 0.00 C ATOM 290 CD LYS A 87 -6.986 21.186 -14.569 1.00 0.00 C ATOM 291 CE LYS A 87 -6.542 21.973 -15.811 1.00 0.00 C ATOM 292 NZ LYS A 87 -5.067 21.851 -15.973 1.00 0.00 N ATOM 0 H LYS A 87 -7.642 17.612 -13.581 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.517 19.703 -13.939 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.894 18.232 -16.074 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.528 19.862 -16.194 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.685 19.151 -13.880 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.993 19.474 -15.458 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.018 21.434 -14.323 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.376 21.471 -13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.049 21.591 -16.697 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.822 23.021 -15.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.707 22.669 -16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.616 21.822 -15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.846 20.977 -16.491 1.00 0.00 H new ATOM 306 N ASN A 88 -10.361 16.835 -15.264 1.00 0.00 N ATOM 307 CA ASN A 88 -11.492 16.127 -15.926 1.00 0.00 C ATOM 308 C ASN A 88 -12.687 16.072 -14.967 1.00 0.00 C ATOM 309 O ASN A 88 -13.709 16.691 -15.195 1.00 0.00 O ATOM 310 CB ASN A 88 -11.048 14.699 -16.311 1.00 0.00 C ATOM 311 CG ASN A 88 -9.944 14.226 -15.359 1.00 0.00 C ATOM 312 OD1 ASN A 88 -8.779 14.247 -15.706 1.00 0.00 O ATOM 313 ND2 ASN A 88 -10.261 13.794 -14.169 1.00 0.00 N ATOM 0 H ASN A 88 -9.599 16.235 -14.949 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.786 16.661 -16.829 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -11.898 14.018 -16.264 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.685 14.685 -17.339 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.532 13.475 -13.531 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.238 13.776 -13.877 1.00 0.00 H new ATOM 320 N LEU A 89 -12.562 15.341 -13.896 1.00 0.00 N ATOM 321 CA LEU A 89 -13.685 15.247 -12.926 1.00 0.00 C ATOM 322 C LEU A 89 -14.139 16.656 -12.550 1.00 0.00 C ATOM 323 O LEU A 89 -15.317 16.936 -12.457 1.00 0.00 O ATOM 324 CB LEU A 89 -13.210 14.498 -11.673 1.00 0.00 C ATOM 325 CG LEU A 89 -14.422 14.000 -10.855 1.00 0.00 C ATOM 326 CD1 LEU A 89 -14.912 12.649 -11.396 1.00 0.00 C ATOM 327 CD2 LEU A 89 -14.012 13.827 -9.387 1.00 0.00 C ATOM 0 H LEU A 89 -11.730 14.804 -13.651 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.519 14.706 -13.372 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.585 13.653 -11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.594 15.155 -11.060 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.224 14.734 -10.937 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -15.766 12.311 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.209 12.761 -12.439 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.109 11.915 -11.324 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.867 13.476 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.204 13.099 -9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.673 14.783 -8.989 1.00 0.00 H new ATOM 339 N SER A 90 -13.212 17.549 -12.340 1.00 0.00 N ATOM 340 CA SER A 90 -13.592 18.941 -11.977 1.00 0.00 C ATOM 341 C SER A 90 -14.481 19.522 -13.076 1.00 0.00 C ATOM 342 O SER A 90 -15.505 20.118 -12.808 1.00 0.00 O ATOM 343 CB SER A 90 -12.338 19.801 -11.835 1.00 0.00 C ATOM 344 OG SER A 90 -12.722 21.158 -11.653 1.00 0.00 O ATOM 0 H SER A 90 -12.209 17.374 -12.404 1.00 0.00 H new ATOM 0 HA SER A 90 -14.131 18.933 -11.030 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.743 19.462 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.713 19.703 -12.722 1.00 0.00 H new ATOM 0 HG SER A 90 -11.924 21.706 -11.502 1.00 0.00 H new ATOM 350 N ARG A 91 -14.100 19.352 -14.313 1.00 0.00 N ATOM 351 CA ARG A 91 -14.930 19.896 -15.422 1.00 0.00 C ATOM 352 C ARG A 91 -16.363 19.382 -15.266 1.00 0.00 C ATOM 353 O ARG A 91 -17.315 20.052 -15.612 1.00 0.00 O ATOM 354 CB ARG A 91 -14.360 19.438 -16.771 1.00 0.00 C ATOM 355 CG ARG A 91 -15.063 20.185 -17.923 1.00 0.00 C ATOM 356 CD ARG A 91 -14.417 21.568 -18.151 1.00 0.00 C ATOM 357 NE ARG A 91 -13.433 21.474 -19.268 1.00 0.00 N ATOM 358 CZ ARG A 91 -13.006 22.562 -19.851 1.00 0.00 C ATOM 359 NH1 ARG A 91 -12.151 22.482 -20.834 1.00 0.00 N ATOM 360 NH2 ARG A 91 -13.433 23.728 -19.452 1.00 0.00 N ATOM 0 H ARG A 91 -13.253 18.862 -14.601 1.00 0.00 H new ATOM 0 HA ARG A 91 -14.922 20.985 -15.387 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.287 19.628 -16.805 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.497 18.363 -16.887 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.002 19.594 -18.837 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -16.121 20.306 -17.692 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -15.184 22.306 -18.388 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.920 21.905 -17.241 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.094 20.562 -19.576 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.817 21.570 -21.146 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.817 23.331 -21.290 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.101 23.791 -18.684 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.099 24.577 -19.908 1.00 0.00 H new ATOM 374 N LEU A 92 -16.521 18.195 -14.745 1.00 0.00 N ATOM 375 CA LEU A 92 -17.892 17.635 -14.563 1.00 0.00 C ATOM 376 C LEU A 92 -18.509 18.182 -13.272 1.00 0.00 C ATOM 377 O LEU A 92 -19.540 17.722 -12.825 1.00 0.00 O ATOM 378 CB LEU A 92 -17.814 16.110 -14.476 1.00 0.00 C ATOM 379 CG LEU A 92 -16.902 15.571 -15.581 1.00 0.00 C ATOM 380 CD1 LEU A 92 -16.970 14.042 -15.596 1.00 0.00 C ATOM 381 CD2 LEU A 92 -17.355 16.115 -16.940 1.00 0.00 C ATOM 0 H LEU A 92 -15.760 17.589 -14.438 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.511 17.924 -15.412 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -17.432 15.812 -13.500 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -18.811 15.680 -14.573 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.878 15.890 -15.390 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.321 13.657 -16.382 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -16.642 13.654 -14.632 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -17.996 13.725 -15.784 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.702 15.728 -17.723 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.380 15.801 -17.134 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -17.305 17.204 -16.931 1.00 0.00 H new ATOM 393 N PHE A 93 -17.883 19.160 -12.667 1.00 0.00 N ATOM 394 CA PHE A 93 -18.428 19.742 -11.397 1.00 0.00 C ATOM 395 C PHE A 93 -18.213 21.266 -11.409 1.00 0.00 C ATOM 396 O PHE A 93 -17.309 21.752 -12.055 1.00 0.00 O ATOM 397 CB PHE A 93 -17.678 19.128 -10.204 1.00 0.00 C ATOM 398 CG PHE A 93 -18.244 17.756 -9.895 1.00 0.00 C ATOM 399 CD1 PHE A 93 -19.567 17.631 -9.452 1.00 0.00 C ATOM 400 CD2 PHE A 93 -17.449 16.612 -10.054 1.00 0.00 C ATOM 401 CE1 PHE A 93 -20.094 16.367 -9.169 1.00 0.00 C ATOM 402 CE2 PHE A 93 -17.977 15.348 -9.770 1.00 0.00 C ATOM 403 CZ PHE A 93 -19.300 15.224 -9.328 1.00 0.00 C ATOM 0 H PHE A 93 -17.016 19.583 -12.997 1.00 0.00 H new ATOM 0 HA PHE A 93 -19.493 19.524 -11.313 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -16.615 19.050 -10.432 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -17.771 19.775 -9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -20.180 18.511 -9.329 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -16.429 16.707 -10.396 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -21.114 16.272 -8.828 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -17.364 14.467 -9.892 1.00 0.00 H new ATOM 0 HZ PHE A 93 -19.708 14.248 -9.110 1.00 0.00 H new ATOM 413 N PRO A 94 -19.031 22.019 -10.699 1.00 0.00 N ATOM 414 CA PRO A 94 -18.908 23.507 -10.635 1.00 0.00 C ATOM 415 C PRO A 94 -17.453 23.987 -10.565 1.00 0.00 C ATOM 416 O PRO A 94 -17.163 25.148 -10.775 1.00 0.00 O ATOM 417 CB PRO A 94 -19.653 23.861 -9.347 1.00 0.00 C ATOM 418 CG PRO A 94 -20.728 22.827 -9.234 1.00 0.00 C ATOM 419 CD PRO A 94 -20.173 21.546 -9.884 1.00 0.00 C ATOM 0 HA PRO A 94 -19.309 23.984 -11.529 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -18.987 23.836 -8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -20.073 24.866 -9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -20.989 22.651 -8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -21.637 23.156 -9.738 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -19.854 20.824 -9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -20.925 21.054 -10.500 1.00 0.00 H new ATOM 427 N GLY A 95 -16.544 23.108 -10.263 1.00 0.00 N ATOM 428 CA GLY A 95 -15.114 23.508 -10.169 1.00 0.00 C ATOM 429 C GLY A 95 -14.720 24.399 -11.353 1.00 0.00 C ATOM 430 O GLY A 95 -13.882 25.266 -11.222 1.00 0.00 O ATOM 0 H GLY A 95 -16.730 22.123 -10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.941 24.041 -9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.483 22.619 -10.151 1.00 0.00 H new ATOM 434 N TRP A 96 -15.293 24.193 -12.512 1.00 0.00 N ATOM 435 CA TRP A 96 -14.904 25.038 -13.687 1.00 0.00 C ATOM 436 C TRP A 96 -15.687 26.357 -13.697 1.00 0.00 C ATOM 437 O TRP A 96 -15.170 27.382 -14.094 1.00 0.00 O ATOM 438 CB TRP A 96 -15.152 24.271 -14.991 1.00 0.00 C ATOM 439 CG TRP A 96 -16.607 23.968 -15.155 1.00 0.00 C ATOM 440 CD1 TRP A 96 -17.209 22.819 -14.773 1.00 0.00 C ATOM 441 CD2 TRP A 96 -17.647 24.796 -15.750 1.00 0.00 C ATOM 442 NE1 TRP A 96 -18.552 22.890 -15.093 1.00 0.00 N ATOM 443 CE2 TRP A 96 -18.871 24.088 -15.696 1.00 0.00 C ATOM 444 CE3 TRP A 96 -17.650 26.080 -16.323 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -20.054 24.632 -16.192 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -18.840 26.633 -16.825 1.00 0.00 C ATOM 447 CH2 TRP A 96 -20.039 25.909 -16.760 1.00 0.00 C ATOM 0 H TRP A 96 -16.005 23.486 -12.697 1.00 0.00 H new ATOM 0 HA TRP A 96 -13.842 25.271 -13.604 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -14.800 24.860 -15.838 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.580 23.343 -14.988 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -16.720 21.982 -14.296 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -19.225 22.147 -14.906 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -16.731 26.645 -16.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -20.975 24.071 -16.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -18.831 27.620 -17.263 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -20.951 26.338 -17.149 1.00 0.00 H new ATOM 458 N LYS A 97 -16.920 26.351 -13.273 1.00 0.00 N ATOM 459 CA LYS A 97 -17.705 27.620 -13.273 1.00 0.00 C ATOM 460 C LYS A 97 -16.903 28.739 -12.610 1.00 0.00 C ATOM 461 O LYS A 97 -17.288 29.891 -12.657 1.00 0.00 O ATOM 462 CB LYS A 97 -19.014 27.410 -12.511 1.00 0.00 C ATOM 463 CG LYS A 97 -19.936 26.523 -13.353 1.00 0.00 C ATOM 464 CD LYS A 97 -21.114 25.994 -12.507 1.00 0.00 C ATOM 465 CE LYS A 97 -21.633 24.678 -13.100 1.00 0.00 C ATOM 466 NZ LYS A 97 -22.367 24.956 -14.366 1.00 0.00 N ATOM 0 H LYS A 97 -17.417 25.529 -12.928 1.00 0.00 H new ATOM 0 HA LYS A 97 -17.920 27.902 -14.304 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.818 26.943 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.492 28.369 -12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.318 27.091 -14.201 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.370 25.685 -13.759 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.792 25.837 -11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -21.915 26.733 -12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.801 24.000 -13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -22.291 24.181 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.819 24.082 -14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -23.095 25.678 -14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.700 25.302 -15.085 1.00 0.00 H new ATOM 480 N ALA A 98 -15.787 28.420 -11.992 1.00 0.00 N ATOM 481 CA ALA A 98 -14.959 29.462 -11.329 1.00 0.00 C ATOM 482 C ALA A 98 -13.647 29.590 -12.085 1.00 0.00 C ATOM 483 O ALA A 98 -12.937 30.570 -11.971 1.00 0.00 O ATOM 484 CB ALA A 98 -14.667 29.029 -9.893 1.00 0.00 C ATOM 0 H ALA A 98 -15.418 27.472 -11.922 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.486 30.416 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.060 29.788 -9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -15.605 28.907 -9.352 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -14.127 28.082 -9.901 1.00 0.00 H new ATOM 490 N TRP A 99 -13.309 28.583 -12.840 1.00 0.00 N ATOM 491 CA TRP A 99 -12.030 28.607 -13.591 1.00 0.00 C ATOM 492 C TRP A 99 -12.209 29.383 -14.898 1.00 0.00 C ATOM 493 O TRP A 99 -11.269 29.597 -15.636 1.00 0.00 O ATOM 494 CB TRP A 99 -11.592 27.175 -13.906 1.00 0.00 C ATOM 495 CG TRP A 99 -11.525 26.348 -12.652 1.00 0.00 C ATOM 496 CD1 TRP A 99 -11.774 26.786 -11.389 1.00 0.00 C ATOM 497 CD2 TRP A 99 -11.181 24.937 -12.527 1.00 0.00 C ATOM 498 NE1 TRP A 99 -11.620 25.730 -10.512 1.00 0.00 N ATOM 499 CE2 TRP A 99 -11.250 24.572 -11.162 1.00 0.00 C ATOM 500 CE3 TRP A 99 -10.824 23.948 -13.459 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -10.974 23.274 -10.737 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -10.543 22.639 -13.034 1.00 0.00 C ATOM 503 CH2 TRP A 99 -10.617 22.302 -11.676 1.00 0.00 C ATOM 0 H TRP A 99 -13.869 27.740 -12.968 1.00 0.00 H new ATOM 0 HA TRP A 99 -11.269 29.096 -12.983 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -12.292 26.722 -14.608 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -10.616 27.187 -14.391 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -12.047 27.795 -11.116 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -11.763 25.799 -9.504 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -10.765 24.196 -14.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -11.036 23.021 -9.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -10.268 21.887 -13.759 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -10.399 21.294 -11.356 1.00 0.00 H new ATOM 514 N VAL A 100 -13.410 29.802 -15.194 1.00 0.00 N ATOM 515 CA VAL A 100 -13.645 30.557 -16.451 1.00 0.00 C ATOM 516 C VAL A 100 -12.679 31.741 -16.527 1.00 0.00 C ATOM 517 O VAL A 100 -11.880 31.887 -15.617 1.00 0.00 O ATOM 518 CB VAL A 100 -15.085 31.067 -16.467 1.00 0.00 C ATOM 519 CG1 VAL A 100 -16.048 29.879 -16.526 1.00 0.00 C ATOM 520 CG2 VAL A 100 -15.354 31.881 -15.197 1.00 0.00 C ATOM 521 OXT VAL A 100 -12.756 32.482 -17.493 1.00 0.00 O ATOM 0 H VAL A 100 -14.237 29.652 -14.617 1.00 0.00 H new ATOM 0 HA VAL A 100 -13.478 29.904 -17.308 1.00 0.00 H new ATOM 0 HB VAL A 100 -15.236 31.699 -17.342 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -17.075 30.243 -16.537 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -15.858 29.301 -17.430 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -15.898 29.245 -15.652 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.381 32.245 -15.209 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -15.203 31.250 -14.321 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -14.670 32.728 -15.156 1.00 0.00 H new TER 531 VAL A 100