USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=4 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= -6.14! K(o=-18!,f=-7.4) USER MOD Set 1.2: A 81 GLN : amide:sc= -12! C(o=-18!,f=-7.4!) USER MOD Single : A 68 THR OG1 : rot 30:sc= 0.0358 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 75 GLN : amide:sc= -2.77! C(o=-2.8!,f=-1.4!) USER MOD Single : A 82 GLN : amide:sc= -6.96! C(o=-7!,f=-4.4!) USER MOD Single : A 87 LYS NZ :NH3+ 142:sc= -1.52 (180deg=-4.28!) USER MOD Single : A 88 ASN : amide:sc= -3.51! C(o=-3.5!,f=-1.6!) USER MOD Single : A 90 SER OG : rot -21:sc= 0.035 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 68 -1.616 -7.475 1.387 1.00 0.00 N ATOM 2 CA THR A 68 -0.937 -6.836 0.227 1.00 0.00 C ATOM 3 C THR A 68 -0.912 -7.802 -0.958 1.00 0.00 C ATOM 4 O THR A 68 -0.261 -8.826 -0.925 1.00 0.00 O ATOM 5 CB THR A 68 0.498 -6.455 0.600 1.00 0.00 C ATOM 6 OG1 THR A 68 0.474 -5.455 1.610 1.00 0.00 O ATOM 7 CG2 THR A 68 1.224 -5.918 -0.641 1.00 0.00 C ATOM 0 HA THR A 68 -1.488 -5.937 -0.048 1.00 0.00 H new ATOM 0 HB THR A 68 1.024 -7.334 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.331 -5.563 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.246 -5.647 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.242 -6.687 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.701 -5.039 -1.016 1.00 0.00 H new ATOM 15 N VAL A 69 -1.612 -7.469 -2.009 1.00 0.00 N ATOM 16 CA VAL A 69 -1.641 -8.341 -3.217 1.00 0.00 C ATOM 17 C VAL A 69 -1.764 -7.463 -4.469 1.00 0.00 C ATOM 18 O VAL A 69 -1.025 -7.622 -5.421 1.00 0.00 O ATOM 19 CB VAL A 69 -2.819 -9.318 -3.118 1.00 0.00 C ATOM 20 CG1 VAL A 69 -2.739 -10.072 -1.792 1.00 0.00 C ATOM 21 CG2 VAL A 69 -4.144 -8.556 -3.178 1.00 0.00 C ATOM 0 H VAL A 69 -2.172 -6.619 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.720 -8.920 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.769 -10.018 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.575 -10.768 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.801 -10.625 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.784 -9.362 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.973 -9.261 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.196 -7.850 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.209 -8.013 -4.121 1.00 0.00 H new ATOM 31 N LEU A 70 -2.673 -6.525 -4.469 1.00 0.00 N ATOM 32 CA LEU A 70 -2.820 -5.626 -5.649 1.00 0.00 C ATOM 33 C LEU A 70 -1.615 -4.683 -5.699 1.00 0.00 C ATOM 34 O LEU A 70 -1.554 -3.781 -6.510 1.00 0.00 O ATOM 35 CB LEU A 70 -4.112 -4.785 -5.537 1.00 0.00 C ATOM 36 CG LEU A 70 -5.261 -5.592 -4.912 1.00 0.00 C ATOM 37 CD1 LEU A 70 -6.454 -4.662 -4.682 1.00 0.00 C ATOM 38 CD2 LEU A 70 -5.686 -6.721 -5.853 1.00 0.00 C ATOM 0 H LEU A 70 -3.320 -6.343 -3.702 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.874 -6.232 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.918 -3.899 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.407 -4.437 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.925 -6.020 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.275 -5.226 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.162 -3.856 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.776 -4.241 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.501 -7.286 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.021 -6.298 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.840 -7.384 -6.031 1.00 0.00 H new ATOM 50 N SER A 71 -0.666 -4.877 -4.825 1.00 0.00 N ATOM 51 CA SER A 71 0.528 -3.985 -4.803 1.00 0.00 C ATOM 52 C SER A 71 0.087 -2.584 -4.403 1.00 0.00 C ATOM 53 O SER A 71 -0.584 -1.887 -5.138 1.00 0.00 O ATOM 54 CB SER A 71 1.194 -3.965 -6.185 1.00 0.00 C ATOM 55 OG SER A 71 1.086 -5.255 -6.774 1.00 0.00 O ATOM 0 H SER A 71 -0.666 -5.617 -4.123 1.00 0.00 H new ATOM 0 HA SER A 71 1.255 -4.356 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.716 -3.220 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.242 -3.681 -6.093 1.00 0.00 H new ATOM 0 HG SER A 71 1.509 -5.247 -7.658 1.00 0.00 H new ATOM 61 N VAL A 72 0.453 -2.187 -3.225 1.00 0.00 N ATOM 62 CA VAL A 72 0.060 -0.851 -2.725 1.00 0.00 C ATOM 63 C VAL A 72 0.624 0.249 -3.633 1.00 0.00 C ATOM 64 O VAL A 72 -0.109 1.059 -4.161 1.00 0.00 O ATOM 65 CB VAL A 72 0.582 -0.704 -1.295 1.00 0.00 C ATOM 66 CG1 VAL A 72 -0.041 -1.805 -0.432 1.00 0.00 C ATOM 67 CG2 VAL A 72 2.113 -0.843 -1.264 1.00 0.00 C ATOM 0 H VAL A 72 1.016 -2.739 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.025 -0.751 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 72 0.313 0.281 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.322 -1.714 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.126 -1.705 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.238 -2.781 -0.830 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.467 -0.736 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.397 -1.824 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.561 -0.068 -1.886 1.00 0.00 H new ATOM 77 N GLY A 73 1.910 0.289 -3.832 1.00 0.00 N ATOM 78 CA GLY A 73 2.482 1.347 -4.712 1.00 0.00 C ATOM 79 C GLY A 73 1.771 1.320 -6.064 1.00 0.00 C ATOM 80 O GLY A 73 1.861 2.248 -6.840 1.00 0.00 O ATOM 0 H GLY A 73 2.587 -0.359 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.365 2.326 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.551 1.184 -4.847 1.00 0.00 H new ATOM 84 N GLY A 74 1.065 0.264 -6.353 1.00 0.00 N ATOM 85 CA GLY A 74 0.353 0.182 -7.657 1.00 0.00 C ATOM 86 C GLY A 74 -0.854 1.123 -7.654 1.00 0.00 C ATOM 87 O GLY A 74 -0.956 2.022 -8.471 1.00 0.00 O ATOM 0 H GLY A 74 0.950 -0.545 -5.743 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.031 0.449 -8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.026 -0.842 -7.838 1.00 0.00 H new ATOM 91 N GLN A 75 -1.772 0.931 -6.743 1.00 0.00 N ATOM 92 CA GLN A 75 -2.966 1.813 -6.699 1.00 0.00 C ATOM 93 C GLN A 75 -2.600 3.112 -5.992 1.00 0.00 C ATOM 94 O GLN A 75 -2.979 4.182 -6.409 1.00 0.00 O ATOM 95 CB GLN A 75 -4.097 1.106 -5.943 1.00 0.00 C ATOM 96 CG GLN A 75 -4.789 0.103 -6.870 1.00 0.00 C ATOM 97 CD GLN A 75 -3.780 -0.953 -7.327 1.00 0.00 C ATOM 98 OE1 GLN A 75 -3.632 -1.982 -6.696 1.00 0.00 O ATOM 99 NE2 GLN A 75 -3.076 -0.743 -8.406 1.00 0.00 N ATOM 0 H GLN A 75 -1.743 0.202 -6.030 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.301 2.034 -7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.697 0.592 -5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -4.818 1.838 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.620 -0.374 -6.351 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -5.207 0.619 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.200 0.120 -8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.402 -1.442 -8.719 1.00 0.00 H new ATOM 108 N VAL A 76 -1.858 3.028 -4.930 1.00 0.00 N ATOM 109 CA VAL A 76 -1.467 4.263 -4.207 1.00 0.00 C ATOM 110 C VAL A 76 -0.814 5.222 -5.197 1.00 0.00 C ATOM 111 O VAL A 76 -1.148 6.389 -5.258 1.00 0.00 O ATOM 112 CB VAL A 76 -0.485 3.906 -3.093 1.00 0.00 C ATOM 113 CG1 VAL A 76 -0.140 5.163 -2.290 1.00 0.00 C ATOM 114 CG2 VAL A 76 -1.127 2.865 -2.166 1.00 0.00 C ATOM 0 H VAL A 76 -1.505 2.158 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.343 4.738 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 76 0.426 3.496 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.561 4.906 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.314 5.903 -2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.049 5.576 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.429 2.608 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.038 3.277 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.371 1.970 -2.738 1.00 0.00 H new ATOM 124 N ASN A 77 0.103 4.738 -5.990 1.00 0.00 N ATOM 125 CA ASN A 77 0.751 5.626 -6.984 1.00 0.00 C ATOM 126 C ASN A 77 -0.311 6.120 -7.966 1.00 0.00 C ATOM 127 O ASN A 77 -0.530 7.302 -8.121 1.00 0.00 O ATOM 128 CB ASN A 77 1.831 4.853 -7.743 1.00 0.00 C ATOM 129 CG ASN A 77 2.514 5.785 -8.744 1.00 0.00 C ATOM 130 OD1 ASN A 77 3.566 6.325 -8.470 1.00 0.00 O ATOM 131 ND2 ASN A 77 1.955 5.994 -9.903 1.00 0.00 N ATOM 0 H ASN A 77 0.427 3.771 -5.990 1.00 0.00 H new ATOM 0 HA ASN A 77 1.213 6.473 -6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.565 4.451 -7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.388 4.004 -8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.402 6.612 -10.581 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.071 5.540 -10.132 1.00 0.00 H new ATOM 138 N LEU A 78 -0.982 5.221 -8.625 1.00 0.00 N ATOM 139 CA LEU A 78 -2.033 5.644 -9.596 1.00 0.00 C ATOM 140 C LEU A 78 -3.001 6.624 -8.925 1.00 0.00 C ATOM 141 O LEU A 78 -3.570 7.487 -9.568 1.00 0.00 O ATOM 142 CB LEU A 78 -2.795 4.399 -10.071 1.00 0.00 C ATOM 143 CG LEU A 78 -3.990 4.794 -10.950 1.00 0.00 C ATOM 144 CD1 LEU A 78 -3.519 5.674 -12.116 1.00 0.00 C ATOM 145 CD2 LEU A 78 -4.644 3.521 -11.497 1.00 0.00 C ATOM 0 H LEU A 78 -0.851 4.213 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.570 6.141 -10.448 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.124 3.749 -10.632 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.144 3.830 -9.209 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.710 5.357 -10.355 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.374 5.949 -12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.050 6.576 -11.724 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.798 5.123 -12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.495 3.789 -12.123 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.918 2.965 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.985 2.902 -10.667 1.00 0.00 H new ATOM 157 N LEU A 79 -3.210 6.493 -7.644 1.00 0.00 N ATOM 158 CA LEU A 79 -4.156 7.404 -6.946 1.00 0.00 C ATOM 159 C LEU A 79 -3.508 8.778 -6.727 1.00 0.00 C ATOM 160 O LEU A 79 -4.184 9.781 -6.681 1.00 0.00 O ATOM 161 CB LEU A 79 -4.561 6.777 -5.586 1.00 0.00 C ATOM 162 CG LEU A 79 -5.913 6.026 -5.677 1.00 0.00 C ATOM 163 CD1 LEU A 79 -7.057 6.990 -6.063 1.00 0.00 C ATOM 164 CD2 LEU A 79 -5.821 4.875 -6.697 1.00 0.00 C ATOM 0 H LEU A 79 -2.765 5.793 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.046 7.540 -7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.784 6.087 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.631 7.560 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.134 5.609 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.995 6.437 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.143 7.773 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.842 7.440 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.779 4.357 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.572 5.278 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.046 4.174 -6.386 1.00 0.00 H new ATOM 176 N ILE A 80 -2.213 8.847 -6.571 1.00 0.00 N ATOM 177 CA ILE A 80 -1.577 10.175 -6.334 1.00 0.00 C ATOM 178 C ILE A 80 -1.466 10.953 -7.661 1.00 0.00 C ATOM 179 O ILE A 80 -1.483 12.163 -7.672 1.00 0.00 O ATOM 180 CB ILE A 80 -0.193 9.967 -5.655 1.00 0.00 C ATOM 181 CG1 ILE A 80 0.111 11.118 -4.678 1.00 0.00 C ATOM 182 CG2 ILE A 80 0.933 9.876 -6.687 1.00 0.00 C ATOM 183 CD1 ILE A 80 0.002 12.469 -5.388 1.00 0.00 C ATOM 0 H ILE A 80 -1.575 8.052 -6.597 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.193 10.773 -5.663 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.243 9.025 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.585 11.084 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.113 10.997 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.885 9.731 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.748 9.034 -7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.970 10.798 -7.267 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.220 13.270 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.716 12.506 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.008 12.595 -5.778 1.00 0.00 H new ATOM 195 N GLN A 81 -1.362 10.286 -8.784 1.00 0.00 N ATOM 196 CA GLN A 81 -1.255 11.034 -10.077 1.00 0.00 C ATOM 197 C GLN A 81 -2.653 11.377 -10.614 1.00 0.00 C ATOM 198 O GLN A 81 -2.851 12.419 -11.209 1.00 0.00 O ATOM 199 CB GLN A 81 -0.513 10.171 -11.121 1.00 0.00 C ATOM 200 CG GLN A 81 1.013 10.325 -10.984 1.00 0.00 C ATOM 201 CD GLN A 81 1.524 9.470 -9.827 1.00 0.00 C ATOM 202 OE1 GLN A 81 2.376 9.895 -9.073 1.00 0.00 O ATOM 203 NE2 GLN A 81 1.039 8.272 -9.653 1.00 0.00 N ATOM 0 H GLN A 81 -1.347 9.269 -8.863 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.702 11.956 -9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.789 9.124 -10.994 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.822 10.463 -12.125 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.501 10.025 -11.911 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.267 11.371 -10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.323 7.915 -10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.375 7.692 -8.884 1.00 0.00 H new ATOM 212 N GLN A 82 -3.618 10.506 -10.452 1.00 0.00 N ATOM 213 CA GLN A 82 -4.983 10.795 -11.005 1.00 0.00 C ATOM 214 C GLN A 82 -5.872 11.515 -9.979 1.00 0.00 C ATOM 215 O GLN A 82 -6.622 12.404 -10.331 1.00 0.00 O ATOM 216 CB GLN A 82 -5.640 9.473 -11.448 1.00 0.00 C ATOM 217 CG GLN A 82 -6.182 8.695 -10.234 1.00 0.00 C ATOM 218 CD GLN A 82 -7.607 9.155 -9.890 1.00 0.00 C ATOM 219 OE1 GLN A 82 -8.263 8.557 -9.059 1.00 0.00 O ATOM 220 NE2 GLN A 82 -8.117 10.195 -10.492 1.00 0.00 N ATOM 0 H GLN A 82 -3.524 9.614 -9.966 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.874 11.460 -11.861 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.453 9.681 -12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.912 8.861 -11.982 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.181 7.627 -10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.528 8.847 -9.376 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.570 10.699 -11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.062 10.503 -10.265 1.00 0.00 H new ATOM 229 N ALA A 83 -5.828 11.140 -8.730 1.00 0.00 N ATOM 230 CA ALA A 83 -6.715 11.818 -7.736 1.00 0.00 C ATOM 231 C ALA A 83 -6.515 13.334 -7.794 1.00 0.00 C ATOM 232 O ALA A 83 -7.376 14.047 -8.266 1.00 0.00 O ATOM 233 CB ALA A 83 -6.397 11.322 -6.324 1.00 0.00 C ATOM 0 H ALA A 83 -5.227 10.405 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.751 11.581 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.049 11.822 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.559 10.245 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.357 11.545 -6.086 1.00 0.00 H new ATOM 239 N ILE A 84 -5.383 13.819 -7.323 1.00 0.00 N ATOM 240 CA ILE A 84 -5.083 15.285 -7.331 1.00 0.00 C ATOM 241 C ILE A 84 -6.368 16.126 -7.314 1.00 0.00 C ATOM 242 O ILE A 84 -6.667 16.821 -8.259 1.00 0.00 O ATOM 243 CB ILE A 84 -4.259 15.617 -8.573 1.00 0.00 C ATOM 244 CG1 ILE A 84 -3.064 14.651 -8.673 1.00 0.00 C ATOM 245 CG2 ILE A 84 -3.743 17.047 -8.472 1.00 0.00 C ATOM 246 CD1 ILE A 84 -2.211 14.704 -7.393 1.00 0.00 C ATOM 0 H ILE A 84 -4.641 13.242 -6.926 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.520 15.528 -6.430 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.885 15.515 -9.460 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.424 13.635 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.451 14.912 -9.535 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.155 17.285 -9.358 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.586 17.734 -8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.118 17.147 -7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.373 14.014 -7.486 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.833 15.716 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.822 14.419 -6.536 1.00 0.00 H new ATOM 258 N ASP A 85 -7.116 16.061 -6.239 1.00 0.00 N ATOM 259 CA ASP A 85 -8.385 16.851 -6.120 1.00 0.00 C ATOM 260 C ASP A 85 -9.156 16.875 -7.462 1.00 0.00 C ATOM 261 O ASP A 85 -8.793 17.600 -8.366 1.00 0.00 O ATOM 262 CB ASP A 85 -8.040 18.288 -5.716 1.00 0.00 C ATOM 263 CG ASP A 85 -7.002 18.864 -6.681 1.00 0.00 C ATOM 264 OD1 ASP A 85 -5.822 18.676 -6.433 1.00 0.00 O ATOM 265 OD2 ASP A 85 -7.404 19.485 -7.651 1.00 0.00 O ATOM 0 H ASP A 85 -6.898 15.485 -5.426 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.017 16.380 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.939 18.904 -5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.652 18.306 -4.698 1.00 0.00 H new ATOM 270 N PRO A 86 -10.223 16.109 -7.609 1.00 0.00 N ATOM 271 CA PRO A 86 -11.005 16.093 -8.882 1.00 0.00 C ATOM 272 C PRO A 86 -11.908 17.325 -9.014 1.00 0.00 C ATOM 273 O PRO A 86 -12.937 17.289 -9.662 1.00 0.00 O ATOM 274 CB PRO A 86 -11.831 14.807 -8.779 1.00 0.00 C ATOM 275 CG PRO A 86 -12.053 14.617 -7.313 1.00 0.00 C ATOM 276 CD PRO A 86 -10.815 15.192 -6.608 1.00 0.00 C ATOM 0 HA PRO A 86 -10.365 16.120 -9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.776 14.899 -9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.300 13.959 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.958 15.130 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.181 13.561 -7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -11.086 15.721 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.116 14.405 -6.325 1.00 0.00 H new ATOM 284 N LYS A 87 -11.526 18.418 -8.407 1.00 0.00 N ATOM 285 CA LYS A 87 -12.357 19.649 -8.502 1.00 0.00 C ATOM 286 C LYS A 87 -12.648 19.937 -9.975 1.00 0.00 C ATOM 287 O LYS A 87 -13.723 20.374 -10.333 1.00 0.00 O ATOM 288 CB LYS A 87 -11.601 20.834 -7.882 1.00 0.00 C ATOM 289 CG LYS A 87 -11.680 20.758 -6.349 1.00 0.00 C ATOM 290 CD LYS A 87 -11.177 22.069 -5.720 1.00 0.00 C ATOM 291 CE LYS A 87 -9.644 22.133 -5.753 1.00 0.00 C ATOM 292 NZ LYS A 87 -9.185 22.437 -7.137 1.00 0.00 N ATOM 0 H LYS A 87 -10.676 18.509 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.293 19.505 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.559 20.820 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.030 21.773 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.708 20.570 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.081 19.921 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.593 22.920 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.527 22.142 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.287 22.899 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.223 21.184 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.366 23.076 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.913 21.554 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.955 22.893 -7.666 1.00 0.00 H new ATOM 306 N ASN A 88 -11.699 19.685 -10.831 1.00 0.00 N ATOM 307 CA ASN A 88 -11.921 19.932 -12.283 1.00 0.00 C ATOM 308 C ASN A 88 -13.141 19.130 -12.740 1.00 0.00 C ATOM 309 O ASN A 88 -14.033 19.642 -13.388 1.00 0.00 O ATOM 310 CB ASN A 88 -10.681 19.492 -13.074 1.00 0.00 C ATOM 311 CG ASN A 88 -10.579 17.962 -13.089 1.00 0.00 C ATOM 312 OD1 ASN A 88 -10.748 17.342 -14.120 1.00 0.00 O ATOM 313 ND2 ASN A 88 -10.309 17.321 -11.984 1.00 0.00 N ATOM 0 H ASN A 88 -10.779 19.318 -10.589 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.094 20.994 -12.458 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -10.739 19.870 -14.095 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.784 19.919 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.241 16.303 -11.988 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.166 17.838 -11.116 1.00 0.00 H new ATOM 320 N LEU A 89 -13.183 17.874 -12.397 1.00 0.00 N ATOM 321 CA LEU A 89 -14.335 17.023 -12.794 1.00 0.00 C ATOM 322 C LEU A 89 -15.628 17.653 -12.269 1.00 0.00 C ATOM 323 O LEU A 89 -16.603 17.781 -12.981 1.00 0.00 O ATOM 324 CB LEU A 89 -14.147 15.631 -12.184 1.00 0.00 C ATOM 325 CG LEU A 89 -15.319 14.713 -12.551 1.00 0.00 C ATOM 326 CD1 LEU A 89 -15.405 14.544 -14.077 1.00 0.00 C ATOM 327 CD2 LEU A 89 -15.095 13.348 -11.892 1.00 0.00 C ATOM 0 H LEU A 89 -12.462 17.398 -11.854 1.00 0.00 H new ATOM 0 HA LEU A 89 -14.392 16.942 -13.879 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.213 15.196 -12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.068 15.712 -11.100 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.252 15.152 -12.198 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.241 13.890 -14.324 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.556 15.518 -14.543 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.479 14.104 -14.447 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.921 12.683 -12.144 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.160 12.919 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.044 13.470 -10.810 1.00 0.00 H new ATOM 339 N SER A 90 -15.640 18.048 -11.025 1.00 0.00 N ATOM 340 CA SER A 90 -16.863 18.668 -10.452 1.00 0.00 C ATOM 341 C SER A 90 -17.025 20.085 -11.006 1.00 0.00 C ATOM 342 O SER A 90 -18.070 20.693 -10.886 1.00 0.00 O ATOM 343 CB SER A 90 -16.737 18.729 -8.928 1.00 0.00 C ATOM 344 OG SER A 90 -17.933 19.265 -8.381 1.00 0.00 O ATOM 0 H SER A 90 -14.853 17.967 -10.381 1.00 0.00 H new ATOM 0 HA SER A 90 -17.734 18.070 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.554 17.732 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.885 19.348 -8.646 1.00 0.00 H new ATOM 0 HG SER A 90 -18.410 19.772 -9.071 1.00 0.00 H new ATOM 350 N ARG A 91 -15.998 20.619 -11.608 1.00 0.00 N ATOM 351 CA ARG A 91 -16.094 21.999 -12.165 1.00 0.00 C ATOM 352 C ARG A 91 -17.003 21.991 -13.397 1.00 0.00 C ATOM 353 O ARG A 91 -17.907 22.794 -13.517 1.00 0.00 O ATOM 354 CB ARG A 91 -14.694 22.486 -12.564 1.00 0.00 C ATOM 355 CG ARG A 91 -14.698 24.015 -12.758 1.00 0.00 C ATOM 356 CD ARG A 91 -14.442 24.720 -11.419 1.00 0.00 C ATOM 357 NE ARG A 91 -14.450 26.195 -11.628 1.00 0.00 N ATOM 358 CZ ARG A 91 -15.583 26.825 -11.780 1.00 0.00 C ATOM 359 NH1 ARG A 91 -15.591 28.118 -11.958 1.00 0.00 N ATOM 360 NH2 ARG A 91 -16.707 26.162 -11.757 1.00 0.00 N ATOM 0 H ARG A 91 -15.097 20.160 -11.739 1.00 0.00 H new ATOM 0 HA ARG A 91 -16.511 22.667 -11.412 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.972 22.212 -11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.379 21.996 -13.485 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.932 24.299 -13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.656 24.334 -13.168 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -15.208 24.440 -10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.483 24.405 -11.007 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.571 26.712 -11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.712 28.635 -11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.476 28.611 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -16.700 25.151 -11.620 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.592 26.655 -11.876 1.00 0.00 H new ATOM 374 N LEU A 92 -16.770 21.092 -14.313 1.00 0.00 N ATOM 375 CA LEU A 92 -17.621 21.036 -15.536 1.00 0.00 C ATOM 376 C LEU A 92 -19.095 21.017 -15.130 1.00 0.00 C ATOM 377 O LEU A 92 -19.976 21.175 -15.952 1.00 0.00 O ATOM 378 CB LEU A 92 -17.295 19.769 -16.333 1.00 0.00 C ATOM 379 CG LEU A 92 -15.778 19.639 -16.513 1.00 0.00 C ATOM 380 CD1 LEU A 92 -15.473 18.413 -17.378 1.00 0.00 C ATOM 381 CD2 LEU A 92 -15.226 20.898 -17.195 1.00 0.00 C ATOM 0 H LEU A 92 -16.028 20.394 -14.268 1.00 0.00 H new ATOM 0 HA LEU A 92 -17.424 21.912 -16.154 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -17.684 18.893 -15.814 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.783 19.806 -17.307 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.307 19.525 -15.537 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -14.395 18.318 -17.508 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.860 17.518 -16.890 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.947 18.529 -18.353 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.148 20.801 -17.321 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.696 21.019 -18.171 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.442 21.770 -16.578 1.00 0.00 H new ATOM 393 N PHE A 93 -19.365 20.828 -13.862 1.00 0.00 N ATOM 394 CA PHE A 93 -20.779 20.796 -13.368 1.00 0.00 C ATOM 395 C PHE A 93 -20.975 21.932 -12.349 1.00 0.00 C ATOM 396 O PHE A 93 -20.409 21.883 -11.278 1.00 0.00 O ATOM 397 CB PHE A 93 -21.028 19.456 -12.671 1.00 0.00 C ATOM 398 CG PHE A 93 -21.145 18.364 -13.707 1.00 0.00 C ATOM 399 CD1 PHE A 93 -19.991 17.779 -14.241 1.00 0.00 C ATOM 400 CD2 PHE A 93 -22.408 17.937 -14.135 1.00 0.00 C ATOM 401 CE1 PHE A 93 -20.099 16.767 -15.203 1.00 0.00 C ATOM 402 CE2 PHE A 93 -22.517 16.926 -15.096 1.00 0.00 C ATOM 403 CZ PHE A 93 -21.361 16.340 -15.630 1.00 0.00 C ATOM 0 H PHE A 93 -18.658 20.693 -13.139 1.00 0.00 H new ATOM 0 HA PHE A 93 -21.471 20.918 -14.202 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -20.212 19.234 -11.984 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -21.940 19.507 -12.076 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -19.017 18.108 -13.911 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -23.299 18.388 -13.723 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -19.208 16.316 -15.615 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -23.491 16.597 -15.426 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.445 15.559 -16.371 1.00 0.00 H new ATOM 413 N PRO A 94 -21.758 22.950 -12.662 1.00 0.00 N ATOM 414 CA PRO A 94 -21.992 24.091 -11.724 1.00 0.00 C ATOM 415 C PRO A 94 -22.213 23.630 -10.278 1.00 0.00 C ATOM 416 O PRO A 94 -22.215 24.422 -9.359 1.00 0.00 O ATOM 417 CB PRO A 94 -23.252 24.754 -12.286 1.00 0.00 C ATOM 418 CG PRO A 94 -23.171 24.513 -13.757 1.00 0.00 C ATOM 419 CD PRO A 94 -22.507 23.140 -13.923 1.00 0.00 C ATOM 0 HA PRO A 94 -21.133 24.759 -11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -24.155 24.317 -11.860 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -23.276 25.820 -12.058 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -24.162 24.525 -14.210 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -22.587 25.291 -14.249 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -23.247 22.354 -14.070 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -21.844 23.119 -14.788 1.00 0.00 H new ATOM 427 N GLY A 95 -22.400 22.356 -10.081 1.00 0.00 N ATOM 428 CA GLY A 95 -22.624 21.822 -8.708 1.00 0.00 C ATOM 429 C GLY A 95 -21.660 22.465 -7.707 1.00 0.00 C ATOM 430 O GLY A 95 -21.996 22.663 -6.555 1.00 0.00 O ATOM 0 H GLY A 95 -22.407 21.653 -10.820 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -23.653 22.013 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -22.487 20.741 -8.707 1.00 0.00 H new ATOM 434 N TRP A 96 -20.461 22.776 -8.118 1.00 0.00 N ATOM 435 CA TRP A 96 -19.489 23.383 -7.160 1.00 0.00 C ATOM 436 C TRP A 96 -20.107 24.605 -6.470 1.00 0.00 C ATOM 437 O TRP A 96 -19.545 25.152 -5.541 1.00 0.00 O ATOM 438 CB TRP A 96 -18.211 23.799 -7.889 1.00 0.00 C ATOM 439 CG TRP A 96 -18.536 24.736 -9.005 1.00 0.00 C ATOM 440 CD1 TRP A 96 -18.763 24.364 -10.281 1.00 0.00 C ATOM 441 CD2 TRP A 96 -18.666 26.187 -8.971 1.00 0.00 C ATOM 442 NE1 TRP A 96 -19.018 25.493 -11.038 1.00 0.00 N ATOM 443 CE2 TRP A 96 -18.974 26.639 -10.275 1.00 0.00 C ATOM 444 CE3 TRP A 96 -18.550 27.146 -7.948 1.00 0.00 C ATOM 445 CZ2 TRP A 96 -19.159 27.991 -10.556 1.00 0.00 C ATOM 446 CZ3 TRP A 96 -18.737 28.509 -8.228 1.00 0.00 C ATOM 447 CH2 TRP A 96 -19.041 28.931 -9.530 1.00 0.00 C ATOM 0 H TRP A 96 -20.113 22.638 -9.067 1.00 0.00 H new ATOM 0 HA TRP A 96 -19.243 22.635 -6.406 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -17.525 24.278 -7.191 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -17.704 22.917 -8.281 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -18.748 23.350 -10.652 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -19.215 25.479 -12.039 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -18.316 26.832 -6.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -19.392 28.310 -11.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -18.646 29.237 -7.435 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -19.184 29.981 -9.739 1.00 0.00 H new ATOM 458 N LYS A 97 -21.251 25.044 -6.917 1.00 0.00 N ATOM 459 CA LYS A 97 -21.896 26.236 -6.291 1.00 0.00 C ATOM 460 C LYS A 97 -22.139 25.995 -4.800 1.00 0.00 C ATOM 461 O LYS A 97 -22.391 26.915 -4.048 1.00 0.00 O ATOM 462 CB LYS A 97 -23.235 26.499 -6.973 1.00 0.00 C ATOM 463 CG LYS A 97 -24.072 25.213 -6.986 1.00 0.00 C ATOM 464 CD LYS A 97 -25.336 25.409 -7.843 1.00 0.00 C ATOM 465 CE LYS A 97 -25.821 24.050 -8.356 1.00 0.00 C ATOM 466 NZ LYS A 97 -27.172 24.199 -8.966 1.00 0.00 N ATOM 0 H LYS A 97 -21.770 24.628 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 97 -21.234 27.094 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -23.772 27.288 -6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -23.072 26.848 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -23.479 24.389 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -24.352 24.943 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -26.118 25.887 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -25.120 26.071 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -25.120 23.657 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -25.858 23.333 -7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -27.500 23.275 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -27.838 24.556 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -27.123 24.870 -9.759 1.00 0.00 H new ATOM 480 N ALA A 98 -22.074 24.766 -4.370 1.00 0.00 N ATOM 481 CA ALA A 98 -22.306 24.441 -2.936 1.00 0.00 C ATOM 482 C ALA A 98 -20.969 24.130 -2.281 1.00 0.00 C ATOM 483 O ALA A 98 -20.829 24.136 -1.074 1.00 0.00 O ATOM 484 CB ALA A 98 -23.196 23.202 -2.846 1.00 0.00 C ATOM 0 H ALA A 98 -21.867 23.961 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 98 -22.784 25.283 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -23.372 22.956 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -24.149 23.402 -3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -22.703 22.364 -3.338 1.00 0.00 H new ATOM 490 N TRP A 99 -19.995 23.828 -3.082 1.00 0.00 N ATOM 491 CA TRP A 99 -18.664 23.477 -2.548 1.00 0.00 C ATOM 492 C TRP A 99 -17.942 24.741 -2.076 1.00 0.00 C ATOM 493 O TRP A 99 -16.856 24.681 -1.535 1.00 0.00 O ATOM 494 CB TRP A 99 -17.847 22.794 -3.648 1.00 0.00 C ATOM 495 CG TRP A 99 -18.476 21.482 -4.019 1.00 0.00 C ATOM 496 CD1 TRP A 99 -19.779 21.296 -4.354 1.00 0.00 C ATOM 497 CD2 TRP A 99 -17.849 20.170 -4.103 1.00 0.00 C ATOM 498 NE1 TRP A 99 -19.980 19.969 -4.650 1.00 0.00 N ATOM 499 CE2 TRP A 99 -18.827 19.229 -4.501 1.00 0.00 C ATOM 500 CE3 TRP A 99 -16.541 19.710 -3.875 1.00 0.00 C ATOM 501 CZ2 TRP A 99 -18.519 17.881 -4.669 1.00 0.00 C ATOM 502 CZ3 TRP A 99 -16.225 18.352 -4.041 1.00 0.00 C ATOM 503 CH2 TRP A 99 -17.213 17.438 -4.437 1.00 0.00 C ATOM 0 H TRP A 99 -20.068 23.810 -4.099 1.00 0.00 H new ATOM 0 HA TRP A 99 -18.778 22.800 -1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -17.791 23.440 -4.524 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -16.825 22.632 -3.305 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -20.535 22.067 -4.383 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -20.875 19.579 -4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -15.773 20.406 -3.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -19.283 17.183 -4.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -15.216 18.009 -3.863 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -16.965 16.394 -4.562 1.00 0.00 H new ATOM 514 N VAL A 100 -18.536 25.885 -2.278 1.00 0.00 N ATOM 515 CA VAL A 100 -17.887 27.148 -1.843 1.00 0.00 C ATOM 516 C VAL A 100 -17.520 27.053 -0.361 1.00 0.00 C ATOM 517 O VAL A 100 -16.758 27.890 0.095 1.00 0.00 O ATOM 518 CB VAL A 100 -18.859 28.307 -2.059 1.00 0.00 C ATOM 519 CG1 VAL A 100 -19.223 28.401 -3.541 1.00 0.00 C ATOM 520 CG2 VAL A 100 -20.128 28.068 -1.237 1.00 0.00 C ATOM 521 OXT VAL A 100 -18.006 26.145 0.292 1.00 0.00 O ATOM 0 H VAL A 100 -19.445 25.997 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 100 -16.980 27.316 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 100 -18.389 29.238 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -19.916 29.228 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -18.320 28.572 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -19.692 27.470 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -20.822 28.894 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -20.597 27.137 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -19.870 28.003 -0.180 1.00 0.00 H new TER 531 VAL A 100