USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 472 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 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Set 1.2: A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HE2:sc= 0.787 K(o=0.79,f=-5.5!) USER MOD Single : A 99 THR OG1 : rot 158:sc= 1.03 USER MOD Single : A 107 MET CE :methyl -172:sc= -1.47 (180deg=-1.51) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN : amide:sc= 0.676 K(o=0.68,f=-5.5!) USER MOD Single : A 122 MET CE :methyl -173:sc= 0 (180deg=-0.00676) USER MOD Single : A 130 GLN : amide:sc= 0.233 X(o=0.23,f=-0.067) USER MOD Single : A 135 ASN : amide:sc= -0.17 K(o=-0.17,f=-10!) USER MOD Single : A 142 MET CE :methyl -168:sc= -1.59 (180deg=-1.85) USER MOD ----------------------------------------------------------------- ATOM 37 N ALA A 78 -1.447 -14.740 -1.703 1.00 10.00 N ATOM 38 CA ALA A 78 -1.180 -13.489 -1.042 1.00 10.00 C ATOM 39 C ALA A 78 -0.831 -12.481 -2.139 1.00 10.00 C ATOM 40 O ALA A 78 -1.724 -12.073 -2.876 1.00 10.00 O ATOM 41 CB ALA A 78 -0.008 -13.740 -0.094 1.00 10.00 C ATOM 0 HA ALA A 78 -2.020 -13.101 -0.466 1.00 10.00 H new ATOM 0 HB1 ALA A 78 0.236 -12.819 0.435 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -0.282 -14.510 0.627 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.859 -14.070 -0.666 1.00 10.00 H new ATOM 47 N GLY A 79 0.455 -12.102 -2.250 1.00 10.00 N ATOM 48 CA GLY A 79 0.960 -11.011 -3.069 1.00 10.00 C ATOM 49 C GLY A 79 -0.107 -9.957 -3.302 1.00 10.00 C ATOM 50 O GLY A 79 -0.403 -9.136 -2.441 1.00 10.00 O ATOM 0 H GLY A 79 1.199 -12.579 -1.741 1.00 10.00 H new ATOM 0 HA2 GLY A 79 1.823 -10.557 -2.582 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.304 -11.401 -4.027 1.00 10.00 H new ATOM 54 N LEU A 80 -0.714 -10.028 -4.480 1.00 10.00 N ATOM 55 CA LEU A 80 -1.666 -9.052 -4.928 1.00 10.00 C ATOM 56 C LEU A 80 -2.931 -9.004 -4.082 1.00 10.00 C ATOM 57 O LEU A 80 -3.388 -7.926 -3.697 1.00 10.00 O ATOM 58 CB LEU A 80 -1.902 -9.318 -6.417 1.00 10.00 C ATOM 59 CG LEU A 80 -3.071 -8.559 -7.054 1.00 10.00 C ATOM 60 CD1 LEU A 80 -2.737 -8.275 -8.521 1.00 10.00 C ATOM 61 CD2 LEU A 80 -4.349 -9.406 -7.001 1.00 10.00 C ATOM 0 H LEU A 80 -0.549 -10.779 -5.150 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.272 -8.044 -4.799 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -0.991 -9.066 -6.960 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.070 -10.386 -6.554 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.230 -7.630 -6.507 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -3.563 -7.735 -8.984 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -1.831 -7.671 -8.578 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -2.579 -9.216 -9.047 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -5.171 -8.854 -7.457 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -4.191 -10.337 -7.545 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -4.594 -9.630 -5.963 1.00 10.00 H new ATOM 73 N GLU A 81 -3.498 -10.172 -3.799 1.00 10.00 N ATOM 74 CA GLU A 81 -4.719 -10.255 -3.015 1.00 10.00 C ATOM 75 C GLU A 81 -4.407 -9.797 -1.592 1.00 10.00 C ATOM 76 O GLU A 81 -5.122 -8.953 -1.043 1.00 10.00 O ATOM 77 CB GLU A 81 -5.276 -11.680 -3.078 1.00 10.00 C ATOM 78 CG GLU A 81 -6.771 -11.729 -2.740 1.00 10.00 C ATOM 79 CD GLU A 81 -7.328 -13.129 -2.953 1.00 10.00 C ATOM 80 OE1 GLU A 81 -7.275 -13.579 -4.121 1.00 10.00 O ATOM 81 OE2 GLU A 81 -7.776 -13.741 -1.964 1.00 10.00 O ATOM 0 H GLU A 81 -3.129 -11.073 -4.102 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.494 -9.602 -3.415 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -5.117 -12.087 -4.076 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.726 -12.315 -2.383 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.924 -11.425 -1.704 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -7.313 -11.018 -3.364 1.00 10.00 H new ATOM 88 N ASP A 82 -3.288 -10.302 -1.046 1.00 10.00 N ATOM 89 CA ASP A 82 -2.758 -9.865 0.246 1.00 10.00 C ATOM 90 C ASP A 82 -2.767 -8.353 0.281 1.00 10.00 C ATOM 91 O ASP A 82 -3.290 -7.762 1.213 1.00 10.00 O ATOM 92 CB ASP A 82 -1.304 -10.318 0.484 1.00 10.00 C ATOM 93 CG ASP A 82 -1.126 -11.280 1.649 1.00 10.00 C ATOM 94 OD1 ASP A 82 -2.059 -12.068 1.906 1.00 10.00 O ATOM 95 OD2 ASP A 82 -0.016 -11.250 2.220 1.00 10.00 O ATOM 0 H ASP A 82 -2.728 -11.027 -1.494 1.00 10.00 H new ATOM 0 HA ASP A 82 -3.387 -10.310 1.017 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.932 -10.793 -0.423 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.686 -9.437 0.659 1.00 10.00 H new ATOM 100 N LEU A 83 -2.172 -7.731 -0.733 1.00 10.00 N ATOM 101 CA LEU A 83 -1.999 -6.297 -0.776 1.00 10.00 C ATOM 102 C LEU A 83 -3.341 -5.571 -0.878 1.00 10.00 C ATOM 103 O LEU A 83 -3.620 -4.709 -0.061 1.00 10.00 O ATOM 104 CB LEU A 83 -0.994 -5.924 -1.838 1.00 10.00 C ATOM 105 CG LEU A 83 0.404 -6.275 -1.292 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.370 -6.406 -2.441 1.00 10.00 C ATOM 107 CD2 LEU A 83 1.023 -5.267 -0.326 1.00 10.00 C ATOM 0 H LEU A 83 -1.797 -8.217 -1.548 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.577 -5.952 0.168 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.193 -6.467 -2.762 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.059 -4.861 -2.072 1.00 10.00 H new ATOM 0 HG LEU A 83 0.243 -7.198 -0.734 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.360 -6.654 -2.058 1.00 10.00 H new ATOM 0 HD12 LEU A 83 1.032 -7.196 -3.112 1.00 10.00 H new ATOM 0 HD13 LEU A 83 1.418 -5.463 -2.985 1.00 10.00 H new ATOM 0 HD21 LEU A 83 2.004 -5.621 -0.010 1.00 10.00 H new ATOM 0 HD22 LEU A 83 1.128 -4.303 -0.824 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.379 -5.156 0.546 1.00 10.00 H new ATOM 119 N GLN A 84 -4.222 -5.906 -1.821 1.00 10.00 N ATOM 120 CA GLN A 84 -5.526 -5.236 -1.885 1.00 10.00 C ATOM 121 C GLN A 84 -6.254 -5.310 -0.528 1.00 10.00 C ATOM 122 O GLN A 84 -6.814 -4.312 -0.063 1.00 10.00 O ATOM 123 CB GLN A 84 -6.352 -5.868 -3.015 1.00 10.00 C ATOM 124 CG GLN A 84 -7.579 -5.030 -3.409 1.00 10.00 C ATOM 125 CD GLN A 84 -7.374 -4.297 -4.733 1.00 10.00 C ATOM 126 OE1 GLN A 84 -7.724 -4.810 -5.790 1.00 10.00 O ATOM 127 NE2 GLN A 84 -6.799 -3.099 -4.700 1.00 10.00 N ATOM 0 H GLN A 84 -4.066 -6.618 -2.535 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.386 -4.177 -2.102 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -5.716 -6.003 -3.890 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -6.682 -6.860 -2.705 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.451 -5.679 -3.486 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -7.790 -4.305 -2.623 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -6.517 -2.693 -3.808 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -6.640 -2.585 -5.567 1.00 10.00 H new ATOM 136 N VAL A 85 -6.217 -6.467 0.139 1.00 10.00 N ATOM 137 CA VAL A 85 -6.777 -6.652 1.456 1.00 10.00 C ATOM 138 C VAL A 85 -6.012 -5.803 2.490 1.00 10.00 C ATOM 139 O VAL A 85 -6.628 -5.123 3.311 1.00 10.00 O ATOM 140 CB VAL A 85 -6.737 -8.167 1.704 1.00 10.00 C ATOM 141 CG1 VAL A 85 -6.984 -8.492 3.162 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.775 -8.888 0.830 1.00 10.00 C ATOM 0 H VAL A 85 -5.786 -7.310 -0.240 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.806 -6.304 1.547 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.740 -8.516 1.436 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -6.949 -9.572 3.305 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -6.216 -8.020 3.775 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -7.964 -8.118 3.457 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -7.730 -9.960 1.021 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.772 -8.518 1.069 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.560 -8.698 -0.222 1.00 10.00 H new ATOM 152 N ALA A 86 -4.674 -5.820 2.430 1.00 10.00 N ATOM 153 CA ALA A 86 -3.755 -5.038 3.254 1.00 10.00 C ATOM 154 C ALA A 86 -4.238 -3.592 3.265 1.00 10.00 C ATOM 155 O ALA A 86 -4.503 -2.991 4.302 1.00 10.00 O ATOM 156 CB ALA A 86 -2.306 -5.133 2.701 1.00 10.00 C ATOM 0 H ALA A 86 -4.180 -6.416 1.766 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.740 -5.430 4.271 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.638 -4.544 3.329 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.983 -6.174 2.704 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.280 -4.748 1.682 1.00 10.00 H new ATOM 162 N PHE A 87 -4.376 -3.062 2.058 1.00 10.00 N ATOM 163 CA PHE A 87 -4.752 -1.701 1.760 1.00 10.00 C ATOM 164 C PHE A 87 -6.078 -1.419 2.442 1.00 10.00 C ATOM 165 O PHE A 87 -6.163 -0.522 3.279 1.00 10.00 O ATOM 166 CB PHE A 87 -4.815 -1.556 0.232 1.00 10.00 C ATOM 167 CG PHE A 87 -3.466 -1.323 -0.411 1.00 10.00 C ATOM 168 CD1 PHE A 87 -2.389 -2.167 -0.096 1.00 10.00 C ATOM 169 CD2 PHE A 87 -3.254 -0.245 -1.288 1.00 10.00 C ATOM 170 CE1 PHE A 87 -1.197 -2.093 -0.803 1.00 10.00 C ATOM 171 CE2 PHE A 87 -1.954 0.005 -1.763 1.00 10.00 C ATOM 172 CZ PHE A 87 -0.933 -0.934 -1.526 1.00 10.00 C ATOM 0 H PHE A 87 -4.217 -3.611 1.213 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.032 -0.972 2.133 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.259 -2.457 -0.192 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -5.476 -0.726 -0.019 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -2.489 -2.883 0.707 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.078 0.383 -1.593 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -0.494 -2.913 -0.792 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -1.740 0.913 -2.307 1.00 10.00 H new ATOM 0 HZ PHE A 87 0.061 -0.754 -1.908 1.00 10.00 H new ATOM 182 N ARG A 88 -7.084 -2.234 2.116 1.00 10.00 N ATOM 183 CA ARG A 88 -8.438 -2.060 2.610 1.00 10.00 C ATOM 184 C ARG A 88 -8.509 -1.946 4.140 1.00 10.00 C ATOM 185 O ARG A 88 -9.406 -1.296 4.666 1.00 10.00 O ATOM 186 CB ARG A 88 -9.320 -3.195 2.066 1.00 10.00 C ATOM 187 CG ARG A 88 -10.820 -2.966 2.286 1.00 10.00 C ATOM 188 CD ARG A 88 -11.337 -1.741 1.520 1.00 10.00 C ATOM 189 NE ARG A 88 -12.760 -1.517 1.786 1.00 10.00 N ATOM 190 CZ ARG A 88 -13.783 -2.101 1.149 1.00 10.00 C ATOM 191 NH1 ARG A 88 -13.558 -2.897 0.101 1.00 10.00 N ATOM 192 NH2 ARG A 88 -15.035 -1.826 1.520 1.00 10.00 N ATOM 0 H ARG A 88 -6.974 -3.037 1.497 1.00 10.00 H new ATOM 0 HA ARG A 88 -8.818 -1.107 2.243 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -9.131 -3.311 0.999 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -9.030 -4.130 2.544 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -11.372 -3.851 1.968 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -11.014 -2.835 3.351 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -10.766 -0.859 1.810 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.181 -1.884 0.451 1.00 10.00 H new ATOM 0 HE ARG A 88 -12.993 -0.854 2.525 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.603 -3.063 -0.218 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -14.341 -3.339 -0.381 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -15.209 -1.174 2.285 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -15.818 -2.268 1.039 1.00 10.00 H new ATOM 206 N ALA A 89 -7.580 -2.560 4.879 1.00 10.00 N ATOM 207 CA ALA A 89 -7.561 -2.410 6.329 1.00 10.00 C ATOM 208 C ALA A 89 -7.451 -0.936 6.769 1.00 10.00 C ATOM 209 O ALA A 89 -8.031 -0.572 7.790 1.00 10.00 O ATOM 210 CB ALA A 89 -6.470 -3.296 6.931 1.00 10.00 C ATOM 0 H ALA A 89 -6.844 -3.156 4.500 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.520 -2.750 6.721 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -6.462 -3.178 8.015 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -6.668 -4.338 6.681 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.500 -3.004 6.527 1.00 10.00 H new ATOM 216 N PHE A 90 -6.736 -0.089 6.015 1.00 10.00 N ATOM 217 CA PHE A 90 -6.595 1.342 6.270 1.00 10.00 C ATOM 218 C PHE A 90 -6.970 2.152 5.031 1.00 10.00 C ATOM 219 O PHE A 90 -6.251 3.073 4.642 1.00 10.00 O ATOM 220 CB PHE A 90 -5.161 1.640 6.633 1.00 10.00 C ATOM 221 CG PHE A 90 -4.566 0.778 7.715 1.00 10.00 C ATOM 222 CD1 PHE A 90 -4.110 -0.496 7.368 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.644 1.153 9.067 1.00 10.00 C ATOM 224 CE1 PHE A 90 -3.944 -1.454 8.366 1.00 10.00 C ATOM 225 CE2 PHE A 90 -4.266 0.242 10.067 1.00 10.00 C ATOM 226 CZ PHE A 90 -3.959 -1.086 9.721 1.00 10.00 C ATOM 0 H PHE A 90 -6.226 -0.396 5.186 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.262 1.618 7.087 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.550 1.538 5.736 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.094 2.682 6.947 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -3.889 -0.736 6.338 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -4.994 2.139 9.336 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -3.802 -2.490 8.095 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -4.211 0.560 11.098 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.738 -1.814 10.488 1.00 10.00 H new ATOM 236 N ASP A 91 -8.085 1.799 4.401 1.00 10.00 N ATOM 237 CA ASP A 91 -8.599 2.469 3.224 1.00 10.00 C ATOM 238 C ASP A 91 -10.094 2.187 3.225 1.00 10.00 C ATOM 239 O ASP A 91 -10.487 1.070 3.555 1.00 10.00 O ATOM 240 CB ASP A 91 -7.909 1.895 1.988 1.00 10.00 C ATOM 241 CG ASP A 91 -8.651 2.272 0.730 1.00 10.00 C ATOM 242 OD1 ASP A 91 -8.460 3.403 0.240 1.00 10.00 O ATOM 243 OD2 ASP A 91 -9.442 1.419 0.279 1.00 10.00 O ATOM 0 H ASP A 91 -8.667 1.019 4.707 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.414 3.543 3.220 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -6.885 2.264 1.935 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -7.853 0.810 2.070 1.00 10.00 H new ATOM 296 N GLY A 96 -9.587 7.250 -2.728 1.00 10.00 N ATOM 297 CA GLY A 96 -8.758 7.112 -3.916 1.00 10.00 C ATOM 298 C GLY A 96 -7.266 7.278 -3.643 1.00 10.00 C ATOM 299 O GLY A 96 -6.500 7.439 -4.590 1.00 10.00 O ATOM 0 HA2 GLY A 96 -8.931 6.130 -4.357 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -9.068 7.852 -4.653 1.00 10.00 H new ATOM 303 N HIS A 97 -6.826 7.214 -2.380 1.00 10.00 N ATOM 304 CA HIS A 97 -5.411 7.268 -2.044 1.00 10.00 C ATOM 305 C HIS A 97 -5.168 6.740 -0.639 1.00 10.00 C ATOM 306 O HIS A 97 -5.875 7.124 0.290 1.00 10.00 O ATOM 307 CB HIS A 97 -4.845 8.680 -2.288 1.00 10.00 C ATOM 308 CG HIS A 97 -3.998 9.266 -1.184 1.00 10.00 C ATOM 309 ND1 HIS A 97 -4.457 9.683 0.044 1.00 10.00 N ATOM 310 CD2 HIS A 97 -2.689 9.650 -1.285 1.00 10.00 C ATOM 311 CE1 HIS A 97 -3.448 10.328 0.654 1.00 10.00 C ATOM 312 NE2 HIS A 97 -2.360 10.382 -0.139 1.00 10.00 N ATOM 0 H HIS A 97 -7.442 7.124 -1.572 1.00 10.00 H new ATOM 0 HA HIS A 97 -4.857 6.606 -2.709 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -4.248 8.655 -3.200 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.680 9.355 -2.472 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -5.392 9.531 0.422 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.025 9.427 -2.107 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -3.502 10.747 1.648 1.00 10.00 H new ATOM 320 N ILE A 98 -4.151 5.886 -0.496 1.00 10.00 N ATOM 321 CA ILE A 98 -3.742 5.401 0.811 1.00 10.00 C ATOM 322 C ILE A 98 -2.996 6.494 1.582 1.00 10.00 C ATOM 323 O ILE A 98 -2.272 7.319 1.028 1.00 10.00 O ATOM 324 CB ILE A 98 -2.769 4.212 0.724 1.00 10.00 C ATOM 325 CG1 ILE A 98 -1.664 4.468 -0.295 1.00 10.00 C ATOM 326 CG2 ILE A 98 -3.324 2.815 0.452 1.00 10.00 C ATOM 327 CD1 ILE A 98 -0.338 4.091 0.345 1.00 10.00 C ATOM 0 H ILE A 98 -3.600 5.520 -1.273 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.663 5.099 1.309 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.416 4.178 1.755 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -1.833 3.879 -1.196 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.658 5.516 -0.595 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -2.504 2.097 0.423 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.020 2.539 1.245 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -3.845 2.810 -0.506 1.00 10.00 H new ATOM 0 HD11 ILE A 98 0.471 4.265 -0.365 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.177 4.700 1.235 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -0.355 3.038 0.624 1.00 10.00 H new ATOM 339 N THR A 99 -3.072 6.372 2.898 1.00 10.00 N ATOM 340 CA THR A 99 -2.081 6.824 3.852 1.00 10.00 C ATOM 341 C THR A 99 -0.854 5.892 3.800 1.00 10.00 C ATOM 342 O THR A 99 -0.898 4.759 4.278 1.00 10.00 O ATOM 343 CB THR A 99 -2.811 6.803 5.193 1.00 10.00 C ATOM 344 OG1 THR A 99 -3.908 7.680 5.259 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.892 7.094 6.366 1.00 10.00 C ATOM 0 H THR A 99 -3.872 5.930 3.350 1.00 10.00 H new ATOM 0 HA THR A 99 -1.688 7.821 3.653 1.00 10.00 H new ATOM 0 HB THR A 99 -3.184 5.782 5.265 1.00 10.00 H new ATOM 0 HG1 THR A 99 -4.523 7.382 5.961 1.00 10.00 H new ATOM 0 HG21 THR A 99 -2.465 7.066 7.293 1.00 10.00 H new ATOM 0 HG22 THR A 99 -1.102 6.343 6.405 1.00 10.00 H new ATOM 0 HG23 THR A 99 -1.448 8.082 6.244 1.00 10.00 H new ATOM 353 N VAL A 100 0.270 6.386 3.262 1.00 10.00 N ATOM 354 CA VAL A 100 1.583 5.728 3.303 1.00 10.00 C ATOM 355 C VAL A 100 1.973 5.060 4.637 1.00 10.00 C ATOM 356 O VAL A 100 2.748 4.098 4.644 1.00 10.00 O ATOM 357 CB VAL A 100 2.690 6.676 2.834 1.00 10.00 C ATOM 358 CG1 VAL A 100 2.642 6.933 1.325 1.00 10.00 C ATOM 359 CG2 VAL A 100 2.593 7.997 3.572 1.00 10.00 C ATOM 0 H VAL A 100 0.291 7.280 2.772 1.00 10.00 H new ATOM 0 HA VAL A 100 1.475 4.896 2.607 1.00 10.00 H new ATOM 0 HB VAL A 100 3.639 6.189 3.057 1.00 10.00 H new ATOM 0 HG11 VAL A 100 3.448 7.611 1.046 1.00 10.00 H new ATOM 0 HG12 VAL A 100 2.760 5.990 0.791 1.00 10.00 H new ATOM 0 HG13 VAL A 100 1.684 7.381 1.063 1.00 10.00 H new ATOM 0 HG21 VAL A 100 3.385 8.664 3.231 1.00 10.00 H new ATOM 0 HG22 VAL A 100 1.624 8.454 3.374 1.00 10.00 H new ATOM 0 HG23 VAL A 100 2.701 7.824 4.643 1.00 10.00 H new ATOM 369 N ASP A 101 1.545 5.625 5.767 1.00 10.00 N ATOM 370 CA ASP A 101 1.829 5.100 7.114 1.00 10.00 C ATOM 371 C ASP A 101 1.015 3.829 7.406 1.00 10.00 C ATOM 372 O ASP A 101 1.547 2.741 7.623 1.00 10.00 O ATOM 373 CB ASP A 101 1.551 6.188 8.159 1.00 10.00 C ATOM 374 CG ASP A 101 1.395 5.578 9.542 1.00 10.00 C ATOM 375 OD1 ASP A 101 2.423 5.192 10.128 1.00 10.00 O ATOM 376 OD2 ASP A 101 0.227 5.468 9.975 1.00 10.00 O ATOM 0 H ASP A 101 0.981 6.475 5.778 1.00 10.00 H new ATOM 0 HA ASP A 101 2.882 4.822 7.164 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.367 6.910 8.165 1.00 10.00 H new ATOM 0 HB3 ASP A 101 0.645 6.732 7.892 1.00 10.00 H new ATOM 381 N GLU A 102 -0.301 3.997 7.380 1.00 10.00 N ATOM 382 CA GLU A 102 -1.335 2.981 7.421 1.00 10.00 C ATOM 383 C GLU A 102 -0.985 1.816 6.505 1.00 10.00 C ATOM 384 O GLU A 102 -1.122 0.658 6.888 1.00 10.00 O ATOM 385 CB GLU A 102 -2.606 3.701 7.019 1.00 10.00 C ATOM 386 CG GLU A 102 -3.250 4.415 8.227 1.00 10.00 C ATOM 387 CD GLU A 102 -4.620 5.047 7.955 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.679 6.048 7.207 1.00 10.00 O ATOM 389 OE2 GLU A 102 -5.593 4.513 8.527 1.00 10.00 O ATOM 0 H GLU A 102 -0.703 4.933 7.325 1.00 10.00 H new ATOM 0 HA GLU A 102 -1.449 2.529 8.406 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.383 4.429 6.239 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.313 2.987 6.596 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -3.354 3.697 9.041 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -2.570 5.194 8.574 1.00 10.00 H new ATOM 396 N LEU A 103 -0.471 2.103 5.312 1.00 10.00 N ATOM 397 CA LEU A 103 0.003 1.044 4.439 1.00 10.00 C ATOM 398 C LEU A 103 1.044 0.150 5.135 1.00 10.00 C ATOM 399 O LEU A 103 1.002 -1.073 5.044 1.00 10.00 O ATOM 400 CB LEU A 103 0.589 1.646 3.161 1.00 10.00 C ATOM 401 CG LEU A 103 0.089 0.908 1.916 1.00 10.00 C ATOM 402 CD1 LEU A 103 0.995 1.242 0.717 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.148 -0.615 2.056 1.00 10.00 C ATOM 0 H LEU A 103 -0.375 3.046 4.936 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.850 0.414 4.186 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.317 2.699 3.095 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.677 1.600 3.201 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.944 1.229 1.780 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.637 0.715 -0.168 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.974 2.316 0.533 1.00 10.00 H new ATOM 0 HD13 LEU A 103 2.017 0.931 0.935 1.00 10.00 H new ATOM 0 HD21 LEU A 103 -0.220 -1.079 1.141 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.178 -0.925 2.231 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.473 -0.927 2.896 1.00 10.00 H new ATOM 415 N ARG A 104 1.991 0.766 5.844 1.00 10.00 N ATOM 416 CA ARG A 104 3.010 0.062 6.610 1.00 10.00 C ATOM 417 C ARG A 104 2.348 -0.775 7.700 1.00 10.00 C ATOM 418 O ARG A 104 2.654 -1.958 7.859 1.00 10.00 O ATOM 419 CB ARG A 104 4.021 1.079 7.176 1.00 10.00 C ATOM 420 CG ARG A 104 5.481 0.696 6.871 1.00 10.00 C ATOM 421 CD ARG A 104 6.390 1.911 6.662 1.00 10.00 C ATOM 422 NE ARG A 104 5.846 2.821 5.642 1.00 10.00 N ATOM 423 CZ ARG A 104 6.199 4.103 5.504 1.00 10.00 C ATOM 424 NH1 ARG A 104 7.369 4.537 5.985 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.351 4.936 4.898 1.00 10.00 N ATOM 0 H ARG A 104 2.069 1.781 5.900 1.00 10.00 H new ATOM 0 HA ARG A 104 3.562 -0.625 5.968 1.00 10.00 H new ATOM 0 HB2 ARG A 104 3.813 2.064 6.758 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.887 1.156 8.255 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.872 0.095 7.692 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.508 0.072 5.978 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.506 2.446 7.604 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.383 1.577 6.361 1.00 10.00 H new ATOM 0 HE ARG A 104 5.151 2.448 4.995 1.00 10.00 H new ATOM 0 HH11 ARG A 104 7.997 3.889 6.460 1.00 10.00 H new ATOM 0 HH12 ARG A 104 7.633 5.516 5.877 1.00 10.00 H new ATOM 0 HH21 ARG A 104 4.456 4.590 4.552 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.598 5.919 4.781 1.00 10.00 H new ATOM 439 N ARG A 105 1.420 -0.155 8.432 1.00 10.00 N ATOM 440 CA ARG A 105 0.631 -0.834 9.451 1.00 10.00 C ATOM 441 C ARG A 105 -0.074 -2.065 8.869 1.00 10.00 C ATOM 442 O ARG A 105 -0.094 -3.112 9.512 1.00 10.00 O ATOM 443 CB ARG A 105 -0.353 0.144 10.102 1.00 10.00 C ATOM 444 CG ARG A 105 0.397 1.205 10.919 1.00 10.00 C ATOM 445 CD ARG A 105 -0.514 2.384 11.283 1.00 10.00 C ATOM 446 NE ARG A 105 -0.071 3.034 12.528 1.00 10.00 N ATOM 447 CZ ARG A 105 -0.507 4.221 12.980 1.00 10.00 C ATOM 448 NH1 ARG A 105 -1.102 5.090 12.162 1.00 10.00 N ATOM 449 NH2 ARG A 105 -0.356 4.528 14.274 1.00 10.00 N ATOM 0 H ARG A 105 1.197 0.835 8.331 1.00 10.00 H new ATOM 0 HA ARG A 105 1.300 -1.194 10.232 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.955 0.628 9.333 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -1.041 -0.401 10.749 1.00 10.00 H new ATOM 0 HG2 ARG A 105 0.790 0.753 11.830 1.00 10.00 H new ATOM 0 HG3 ARG A 105 1.252 1.568 10.348 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.515 3.111 10.471 1.00 10.00 H new ATOM 0 HD3 ARG A 105 -1.539 2.033 11.398 1.00 10.00 H new ATOM 0 HE ARG A 105 0.623 2.543 13.092 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -1.232 4.857 11.177 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -1.428 5.988 12.521 1.00 10.00 H new ATOM 0 HH21 ARG A 105 0.087 3.863 14.908 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -0.684 5.427 14.626 1.00 10.00 H new ATOM 463 N ALA A 106 -0.611 -1.969 7.651 1.00 10.00 N ATOM 464 CA ALA A 106 -1.304 -3.070 6.993 1.00 10.00 C ATOM 465 C ALA A 106 -0.540 -4.375 7.040 1.00 10.00 C ATOM 466 O ALA A 106 -1.112 -5.426 7.330 1.00 10.00 O ATOM 467 CB ALA A 106 -1.649 -2.723 5.550 1.00 10.00 C ATOM 0 H ALA A 106 -0.575 -1.117 7.092 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.223 -3.217 7.560 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.165 -3.564 5.087 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.296 -1.846 5.531 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -0.733 -2.510 4.998 1.00 10.00 H new ATOM 473 N MET A 107 0.761 -4.317 6.777 1.00 10.00 N ATOM 474 CA MET A 107 1.538 -5.532 6.712 1.00 10.00 C ATOM 475 C MET A 107 1.630 -6.240 8.071 1.00 10.00 C ATOM 476 O MET A 107 1.970 -7.419 8.123 1.00 10.00 O ATOM 477 CB MET A 107 2.884 -5.252 6.058 1.00 10.00 C ATOM 478 CG MET A 107 2.681 -4.745 4.629 1.00 10.00 C ATOM 479 SD MET A 107 4.141 -4.846 3.585 1.00 10.00 S ATOM 480 CE MET A 107 3.333 -4.287 2.091 1.00 10.00 C ATOM 0 H MET A 107 1.284 -3.457 6.610 1.00 10.00 H new ATOM 0 HA MET A 107 1.022 -6.250 6.075 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.432 -4.511 6.640 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.487 -6.160 6.047 1.00 10.00 H new ATOM 0 HG2 MET A 107 1.878 -5.318 4.165 1.00 10.00 H new ATOM 0 HG3 MET A 107 2.350 -3.707 4.669 1.00 10.00 H new ATOM 0 HE1 MET A 107 4.013 -4.398 1.246 1.00 10.00 H new ATOM 0 HE2 MET A 107 2.437 -4.883 1.917 1.00 10.00 H new ATOM 0 HE3 MET A 107 3.056 -3.238 2.198 1.00 10.00 H new ATOM 490 N ALA A 108 1.251 -5.581 9.174 1.00 10.00 N ATOM 491 CA ALA A 108 1.057 -6.257 10.450 1.00 10.00 C ATOM 492 C ALA A 108 -0.067 -7.287 10.358 1.00 10.00 C ATOM 493 O ALA A 108 0.057 -8.377 10.908 1.00 10.00 O ATOM 494 CB ALA A 108 0.774 -5.239 11.558 1.00 10.00 C ATOM 0 H ALA A 108 1.074 -4.577 9.201 1.00 10.00 H new ATOM 0 HA ALA A 108 1.976 -6.788 10.698 1.00 10.00 H new ATOM 0 HB1 ALA A 108 0.632 -5.761 12.504 1.00 10.00 H new ATOM 0 HB2 ALA A 108 1.616 -4.553 11.645 1.00 10.00 H new ATOM 0 HB3 ALA A 108 -0.128 -4.677 11.314 1.00 10.00 H new ATOM 500 N GLY A 109 -1.147 -6.956 9.645 1.00 10.00 N ATOM 501 CA GLY A 109 -2.231 -7.890 9.384 1.00 10.00 C ATOM 502 C GLY A 109 -1.706 -9.107 8.626 1.00 10.00 C ATOM 503 O GLY A 109 -2.061 -10.242 8.927 1.00 10.00 O ATOM 0 H GLY A 109 -1.289 -6.033 9.235 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.684 -8.205 10.324 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -3.012 -7.399 8.803 1.00 10.00 H new ATOM 507 N LEU A 110 -0.850 -8.851 7.635 1.00 10.00 N ATOM 508 CA LEU A 110 -0.253 -9.879 6.791 1.00 10.00 C ATOM 509 C LEU A 110 0.717 -10.751 7.593 1.00 10.00 C ATOM 510 O LEU A 110 0.766 -11.962 7.400 1.00 10.00 O ATOM 511 CB LEU A 110 0.460 -9.207 5.610 1.00 10.00 C ATOM 512 CG LEU A 110 -0.508 -8.838 4.468 1.00 10.00 C ATOM 513 CD1 LEU A 110 -1.718 -7.993 4.884 1.00 10.00 C ATOM 514 CD2 LEU A 110 0.251 -8.105 3.356 1.00 10.00 C ATOM 0 H LEU A 110 -0.549 -7.906 7.395 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.038 -10.533 6.411 1.00 10.00 H new ATOM 0 HB2 LEU A 110 0.965 -8.306 5.959 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.231 -9.876 5.227 1.00 10.00 H new ATOM 0 HG LEU A 110 -0.910 -9.790 4.123 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -2.336 -7.788 4.010 1.00 10.00 H new ATOM 0 HD12 LEU A 110 -2.305 -8.537 5.624 1.00 10.00 H new ATOM 0 HD13 LEU A 110 -1.374 -7.052 5.314 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -0.439 -7.848 2.553 1.00 10.00 H new ATOM 0 HD22 LEU A 110 0.696 -7.195 3.758 1.00 10.00 H new ATOM 0 HD23 LEU A 110 1.037 -8.751 2.965 1.00 10.00 H new ATOM 526 N GLY A 111 1.503 -10.129 8.476 1.00 10.00 N ATOM 527 CA GLY A 111 2.493 -10.797 9.313 1.00 10.00 C ATOM 528 C GLY A 111 3.917 -10.295 9.062 1.00 10.00 C ATOM 529 O GLY A 111 4.866 -10.879 9.577 1.00 10.00 O ATOM 0 H GLY A 111 1.464 -9.121 8.629 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.238 -10.644 10.362 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.453 -11.871 9.129 1.00 10.00 H new ATOM 533 N GLN A 112 4.077 -9.193 8.321 1.00 10.00 N ATOM 534 CA GLN A 112 5.333 -8.470 8.180 1.00 10.00 C ATOM 535 C GLN A 112 5.128 -7.068 8.768 1.00 10.00 C ATOM 536 O GLN A 112 5.043 -6.105 8.016 1.00 10.00 O ATOM 537 CB GLN A 112 5.728 -8.386 6.695 1.00 10.00 C ATOM 538 CG GLN A 112 5.671 -9.729 5.963 1.00 10.00 C ATOM 539 CD GLN A 112 6.377 -9.649 4.612 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.277 -10.432 4.330 1.00 10.00 O ATOM 541 NE2 GLN A 112 5.991 -8.695 3.768 1.00 10.00 N ATOM 0 H GLN A 112 3.313 -8.773 7.791 1.00 10.00 H new ATOM 0 HA GLN A 112 6.137 -8.983 8.707 1.00 10.00 H new ATOM 0 HB2 GLN A 112 5.066 -7.681 6.192 1.00 10.00 H new ATOM 0 HB3 GLN A 112 6.739 -7.985 6.620 1.00 10.00 H new ATOM 0 HG2 GLN A 112 6.138 -10.501 6.575 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.632 -10.023 5.817 1.00 10.00 H new ATOM 0 HE21 GLN A 112 5.239 -8.057 4.029 1.00 10.00 H new ATOM 0 HE22 GLN A 112 6.447 -8.602 2.860 1.00 10.00 H new ATOM 550 N PRO A 113 4.978 -6.910 10.090 1.00 10.00 N ATOM 551 CA PRO A 113 4.575 -5.634 10.653 1.00 10.00 C ATOM 552 C PRO A 113 5.660 -4.576 10.447 1.00 10.00 C ATOM 553 O PRO A 113 6.773 -4.748 10.938 1.00 10.00 O ATOM 554 CB PRO A 113 4.348 -5.899 12.150 1.00 10.00 C ATOM 555 CG PRO A 113 5.219 -7.124 12.432 1.00 10.00 C ATOM 556 CD PRO A 113 5.127 -7.915 11.127 1.00 10.00 C ATOM 0 HA PRO A 113 3.677 -5.249 10.170 1.00 10.00 H new ATOM 0 HB2 PRO A 113 4.647 -5.045 12.758 1.00 10.00 H new ATOM 0 HB3 PRO A 113 3.298 -6.094 12.368 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.247 -6.844 12.664 1.00 10.00 H new ATOM 0 HG3 PRO A 113 4.846 -7.698 13.280 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.021 -8.518 10.967 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.279 -8.599 11.139 1.00 10.00 H new ATOM 564 N LEU A 114 5.339 -3.473 9.756 1.00 10.00 N ATOM 565 CA LEU A 114 6.258 -2.350 9.574 1.00 10.00 C ATOM 566 C LEU A 114 7.551 -2.821 8.883 1.00 10.00 C ATOM 567 O LEU A 114 8.649 -2.627 9.407 1.00 10.00 O ATOM 568 CB LEU A 114 6.531 -1.626 10.919 1.00 10.00 C ATOM 569 CG LEU A 114 5.459 -0.635 11.414 1.00 10.00 C ATOM 570 CD1 LEU A 114 5.682 0.765 10.828 1.00 10.00 C ATOM 571 CD2 LEU A 114 4.019 -1.091 11.155 1.00 10.00 C ATOM 0 H LEU A 114 4.432 -3.338 9.308 1.00 10.00 H new ATOM 0 HA LEU A 114 5.790 -1.616 8.918 1.00 10.00 H new ATOM 0 HB2 LEU A 114 6.671 -2.385 11.689 1.00 10.00 H new ATOM 0 HB3 LEU A 114 7.474 -1.087 10.827 1.00 10.00 H new ATOM 0 HG LEU A 114 5.582 -0.601 12.497 1.00 10.00 H new ATOM 0 HD11 LEU A 114 4.910 1.441 11.196 1.00 10.00 H new ATOM 0 HD12 LEU A 114 6.662 1.134 11.131 1.00 10.00 H new ATOM 0 HD13 LEU A 114 5.633 0.716 9.740 1.00 10.00 H new ATOM 0 HD21 LEU A 114 3.326 -0.339 11.532 1.00 10.00 H new ATOM 0 HD22 LEU A 114 3.866 -1.221 10.084 1.00 10.00 H new ATOM 0 HD23 LEU A 114 3.840 -2.038 11.664 1.00 10.00 H new ATOM 583 N PRO A 115 7.457 -3.413 7.681 1.00 10.00 N ATOM 584 CA PRO A 115 8.609 -3.911 6.960 1.00 10.00 C ATOM 585 C PRO A 115 9.191 -2.722 6.218 1.00 10.00 C ATOM 586 O PRO A 115 8.917 -2.517 5.032 1.00 10.00 O ATOM 587 CB PRO A 115 8.049 -4.970 6.021 1.00 10.00 C ATOM 588 CG PRO A 115 6.650 -4.448 5.687 1.00 10.00 C ATOM 589 CD PRO A 115 6.289 -3.481 6.820 1.00 10.00 C ATOM 0 HA PRO A 115 9.397 -4.347 7.574 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.662 -5.077 5.126 1.00 10.00 H new ATOM 0 HB3 PRO A 115 8.009 -5.949 6.499 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.641 -3.942 4.722 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.931 -5.265 5.625 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.038 -2.496 6.426 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.418 -3.835 7.372 1.00 10.00 H new ATOM 597 N GLN A 116 9.919 -1.891 6.967 1.00 10.00 N ATOM 598 CA GLN A 116 10.309 -0.563 6.540 1.00 10.00 C ATOM 599 C GLN A 116 10.881 -0.559 5.126 1.00 10.00 C ATOM 600 O GLN A 116 10.564 0.350 4.381 1.00 10.00 O ATOM 601 CB GLN A 116 11.266 0.078 7.554 1.00 10.00 C ATOM 602 CG GLN A 116 11.268 1.613 7.442 1.00 10.00 C ATOM 603 CD GLN A 116 9.940 2.245 7.866 1.00 10.00 C ATOM 604 OE1 GLN A 116 9.307 2.982 7.111 1.00 10.00 O ATOM 605 NE2 GLN A 116 9.488 1.962 9.085 1.00 10.00 N ATOM 0 H GLN A 116 10.255 -2.134 7.899 1.00 10.00 H new ATOM 0 HA GLN A 116 9.408 0.050 6.505 1.00 10.00 H new ATOM 0 HB2 GLN A 116 10.975 -0.213 8.563 1.00 10.00 H new ATOM 0 HB3 GLN A 116 12.275 -0.300 7.392 1.00 10.00 H new ATOM 0 HG2 GLN A 116 12.070 2.016 8.061 1.00 10.00 H new ATOM 0 HG3 GLN A 116 11.487 1.896 6.412 1.00 10.00 H new ATOM 0 HE21 GLN A 116 10.025 1.349 9.699 1.00 10.00 H new ATOM 0 HE22 GLN A 116 8.604 2.358 9.406 1.00 10.00 H new ATOM 614 N GLU A 117 11.668 -1.566 4.746 1.00 10.00 N ATOM 615 CA GLU A 117 12.257 -1.746 3.424 1.00 10.00 C ATOM 616 C GLU A 117 11.225 -2.000 2.355 1.00 10.00 C ATOM 617 O GLU A 117 11.294 -1.436 1.266 1.00 10.00 O ATOM 618 CB GLU A 117 13.169 -2.972 3.460 1.00 10.00 C ATOM 619 CG GLU A 117 14.322 -2.734 4.424 1.00 10.00 C ATOM 620 CD GLU A 117 14.044 -3.094 5.885 1.00 10.00 C ATOM 621 OE1 GLU A 117 12.877 -3.426 6.196 1.00 10.00 O ATOM 622 OE2 GLU A 117 15.009 -3.014 6.673 1.00 10.00 O ATOM 0 H GLU A 117 11.924 -2.316 5.388 1.00 10.00 H new ATOM 0 HA GLU A 117 12.791 -0.826 3.184 1.00 10.00 H new ATOM 0 HB2 GLU A 117 12.601 -3.849 3.769 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.555 -3.178 2.462 1.00 10.00 H new ATOM 0 HG2 GLU A 117 15.182 -3.310 4.083 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.603 -1.682 4.374 1.00 10.00 H new ATOM 629 N GLU A 118 10.314 -2.919 2.643 1.00 10.00 N ATOM 630 CA GLU A 118 9.389 -3.379 1.638 1.00 10.00 C ATOM 631 C GLU A 118 8.485 -2.195 1.350 1.00 10.00 C ATOM 632 O GLU A 118 8.336 -1.744 0.213 1.00 10.00 O ATOM 633 CB GLU A 118 8.662 -4.624 2.161 1.00 10.00 C ATOM 634 CG GLU A 118 8.512 -5.636 1.029 1.00 10.00 C ATOM 635 CD GLU A 118 7.542 -5.146 -0.044 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.496 -4.586 0.353 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.866 -5.334 -1.235 1.00 10.00 O ATOM 0 H GLU A 118 10.202 -3.353 3.559 1.00 10.00 H new ATOM 0 HA GLU A 118 9.859 -3.695 0.707 1.00 10.00 H new ATOM 0 HB2 GLU A 118 9.221 -5.065 2.986 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.682 -4.349 2.551 1.00 10.00 H new ATOM 0 HG2 GLU A 118 9.487 -5.825 0.579 1.00 10.00 H new ATOM 0 HG3 GLU A 118 8.158 -6.584 1.434 1.00 10.00 H new ATOM 644 N LEU A 119 7.988 -1.595 2.431 1.00 10.00 N ATOM 645 CA LEU A 119 7.209 -0.402 2.280 1.00 10.00 C ATOM 646 C LEU A 119 8.039 0.766 1.745 1.00 10.00 C ATOM 647 O LEU A 119 7.493 1.539 0.986 1.00 10.00 O ATOM 648 CB LEU A 119 6.468 -0.042 3.561 1.00 10.00 C ATOM 649 CG LEU A 119 4.935 -0.003 3.370 1.00 10.00 C ATOM 650 CD1 LEU A 119 4.417 0.549 2.033 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.392 -1.421 3.535 1.00 10.00 C ATOM 0 H LEU A 119 8.115 -1.917 3.390 1.00 10.00 H new ATOM 0 HA LEU A 119 6.451 -0.614 1.526 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.716 -0.768 4.336 1.00 10.00 H new ATOM 0 HB3 LEU A 119 6.811 0.930 3.914 1.00 10.00 H new ATOM 0 HG LEU A 119 4.581 0.699 4.125 1.00 10.00 H new ATOM 0 HD11 LEU A 119 3.327 0.522 2.026 1.00 10.00 H new ATOM 0 HD12 LEU A 119 4.755 1.578 1.908 1.00 10.00 H new ATOM 0 HD13 LEU A 119 4.800 -0.061 1.215 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.310 -1.414 3.404 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.844 -2.073 2.788 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.634 -1.790 4.532 1.00 10.00 H new ATOM 663 N ASP A 120 9.311 0.942 2.121 1.00 10.00 N ATOM 664 CA ASP A 120 10.179 2.000 1.598 1.00 10.00 C ATOM 665 C ASP A 120 10.204 1.918 0.081 1.00 10.00 C ATOM 666 O ASP A 120 9.838 2.861 -0.616 1.00 10.00 O ATOM 667 CB ASP A 120 11.611 1.930 2.140 1.00 10.00 C ATOM 668 CG ASP A 120 12.483 2.976 1.462 1.00 10.00 C ATOM 669 OD1 ASP A 120 12.291 4.166 1.793 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.316 2.569 0.625 1.00 10.00 O ATOM 0 H ASP A 120 9.772 0.344 2.807 1.00 10.00 H new ATOM 0 HA ASP A 120 9.764 2.951 1.931 1.00 10.00 H new ATOM 0 HB2 ASP A 120 11.608 2.092 3.218 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.024 0.936 1.969 1.00 10.00 H new ATOM 675 N ALA A 121 10.584 0.740 -0.406 1.00 10.00 N ATOM 676 CA ALA A 121 10.619 0.398 -1.811 1.00 10.00 C ATOM 677 C ALA A 121 9.283 0.758 -2.471 1.00 10.00 C ATOM 678 O ALA A 121 9.250 1.513 -3.440 1.00 10.00 O ATOM 679 CB ALA A 121 10.982 -1.088 -1.916 1.00 10.00 C ATOM 0 H ALA A 121 10.886 -0.026 0.196 1.00 10.00 H new ATOM 0 HA ALA A 121 11.374 0.968 -2.352 1.00 10.00 H new ATOM 0 HB1 ALA A 121 11.017 -1.381 -2.965 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.957 -1.258 -1.459 1.00 10.00 H new ATOM 0 HB3 ALA A 121 10.230 -1.684 -1.398 1.00 10.00 H new ATOM 685 N MET A 122 8.171 0.274 -1.909 1.00 10.00 N ATOM 686 CA MET A 122 6.836 0.610 -2.368 1.00 10.00 C ATOM 687 C MET A 122 6.525 2.115 -2.284 1.00 10.00 C ATOM 688 O MET A 122 5.810 2.633 -3.131 1.00 10.00 O ATOM 689 CB MET A 122 5.835 -0.169 -1.518 1.00 10.00 C ATOM 690 CG MET A 122 5.739 -1.684 -1.779 1.00 10.00 C ATOM 691 SD MET A 122 5.376 -2.222 -3.472 1.00 10.00 S ATOM 692 CE MET A 122 7.045 -2.609 -4.046 1.00 10.00 C ATOM 0 H MET A 122 8.181 -0.367 -1.116 1.00 10.00 H new ATOM 0 HA MET A 122 6.765 0.342 -3.422 1.00 10.00 H new ATOM 0 HB2 MET A 122 6.090 -0.020 -0.469 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.847 0.266 -1.671 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.683 -2.137 -1.477 1.00 10.00 H new ATOM 0 HG3 MET A 122 4.967 -2.090 -1.125 1.00 10.00 H new ATOM 0 HE1 MET A 122 7.019 -2.838 -5.111 1.00 10.00 H new ATOM 0 HE2 MET A 122 7.697 -1.752 -3.874 1.00 10.00 H new ATOM 0 HE3 MET A 122 7.427 -3.471 -3.499 1.00 10.00 H new ATOM 702 N ILE A 123 6.984 2.816 -1.244 1.00 10.00 N ATOM 703 CA ILE A 123 6.741 4.231 -1.018 1.00 10.00 C ATOM 704 C ILE A 123 7.416 5.006 -2.142 1.00 10.00 C ATOM 705 O ILE A 123 6.827 5.921 -2.711 1.00 10.00 O ATOM 706 CB ILE A 123 7.237 4.663 0.393 1.00 10.00 C ATOM 707 CG1 ILE A 123 6.037 5.001 1.290 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.150 5.903 0.401 1.00 10.00 C ATOM 709 CD1 ILE A 123 5.205 3.780 1.667 1.00 10.00 C ATOM 0 H ILE A 123 7.555 2.392 -0.513 1.00 10.00 H new ATOM 0 HA ILE A 123 5.673 4.446 -1.033 1.00 10.00 H new ATOM 0 HB ILE A 123 7.814 3.812 0.754 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.396 5.483 2.200 1.00 10.00 H new ATOM 0 HG13 ILE A 123 5.400 5.722 0.777 1.00 10.00 H new ATOM 0 HG21 ILE A 123 8.446 6.130 1.425 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.039 5.704 -0.198 1.00 10.00 H new ATOM 0 HG23 ILE A 123 7.612 6.753 -0.018 1.00 10.00 H new ATOM 0 HD11 ILE A 123 4.374 4.088 2.301 1.00 10.00 H new ATOM 0 HD12 ILE A 123 4.817 3.311 0.763 1.00 10.00 H new ATOM 0 HD13 ILE A 123 5.829 3.068 2.207 1.00 10.00 H new ATOM 721 N ARG A 124 8.667 4.636 -2.419 1.00 10.00 N ATOM 722 CA ARG A 124 9.496 5.272 -3.414 1.00 10.00 C ATOM 723 C ARG A 124 8.886 4.944 -4.773 1.00 10.00 C ATOM 724 O ARG A 124 8.264 5.811 -5.382 1.00 10.00 O ATOM 725 CB ARG A 124 10.960 4.833 -3.204 1.00 10.00 C ATOM 726 CG ARG A 124 11.973 5.873 -3.695 1.00 10.00 C ATOM 727 CD ARG A 124 12.155 5.809 -5.212 1.00 10.00 C ATOM 728 NE ARG A 124 12.707 7.058 -5.750 1.00 10.00 N ATOM 729 CZ ARG A 124 12.541 7.455 -7.024 1.00 10.00 C ATOM 730 NH1 ARG A 124 12.092 6.602 -7.947 1.00 10.00 N ATOM 731 NH2 ARG A 124 12.832 8.716 -7.364 1.00 10.00 N ATOM 0 H ARG A 124 9.133 3.866 -1.939 1.00 10.00 H new ATOM 0 HA ARG A 124 9.526 6.359 -3.339 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.128 4.642 -2.144 1.00 10.00 H new ATOM 0 HB3 ARG A 124 11.130 3.892 -3.728 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.638 6.870 -3.410 1.00 10.00 H new ATOM 0 HG3 ARG A 124 12.933 5.707 -3.205 1.00 10.00 H new ATOM 0 HD2 ARG A 124 12.818 4.981 -5.464 1.00 10.00 H new ATOM 0 HD3 ARG A 124 11.195 5.603 -5.685 1.00 10.00 H new ATOM 0 HE ARG A 124 13.245 7.657 -5.124 1.00 10.00 H new ATOM 0 HH11 ARG A 124 11.872 5.640 -7.688 1.00 10.00 H new ATOM 0 HH12 ARG A 124 11.969 6.912 -8.911 1.00 10.00 H new ATOM 0 HH21 ARG A 124 13.177 9.368 -6.659 1.00 10.00 H new ATOM 0 HH22 ARG A 124 12.709 9.026 -8.328 1.00 10.00 H new ATOM 745 N GLU A 125 8.966 3.686 -5.210 1.00 10.00 N ATOM 746 CA GLU A 125 8.322 3.233 -6.434 1.00 10.00 C ATOM 747 C GLU A 125 6.825 2.991 -6.185 1.00 10.00 C ATOM 748 O GLU A 125 6.324 1.892 -6.424 1.00 10.00 O ATOM 749 CB GLU A 125 9.042 1.986 -6.983 1.00 10.00 C ATOM 750 CG GLU A 125 10.309 2.315 -7.789 1.00 10.00 C ATOM 751 CD GLU A 125 11.405 3.008 -6.997 1.00 10.00 C ATOM 752 OE1 GLU A 125 11.694 2.553 -5.870 1.00 10.00 O ATOM 753 OE2 GLU A 125 11.963 3.988 -7.541 1.00 10.00 O ATOM 0 H GLU A 125 9.482 2.955 -4.721 1.00 10.00 H new ATOM 0 HA GLU A 125 8.398 4.007 -7.198 1.00 10.00 H new ATOM 0 HB2 GLU A 125 9.309 1.335 -6.151 1.00 10.00 H new ATOM 0 HB3 GLU A 125 8.353 1.428 -7.616 1.00 10.00 H new ATOM 0 HG2 GLU A 125 10.709 1.390 -8.204 1.00 10.00 H new ATOM 0 HG3 GLU A 125 10.032 2.949 -8.632 1.00 10.00 H new ATOM 760 N ALA A 126 6.099 4.024 -5.738 1.00 10.00 N ATOM 761 CA ALA A 126 4.655 4.094 -5.939 1.00 10.00 C ATOM 762 C ALA A 126 4.332 4.963 -7.151 1.00 10.00 C ATOM 763 O ALA A 126 3.435 4.618 -7.916 1.00 10.00 O ATOM 764 CB ALA A 126 3.891 4.578 -4.704 1.00 10.00 C ATOM 0 H ALA A 126 6.492 4.820 -5.236 1.00 10.00 H new ATOM 0 HA ALA A 126 4.316 3.074 -6.122 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.824 4.606 -4.924 1.00 10.00 H new ATOM 0 HB2 ALA A 126 4.072 3.896 -3.873 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.232 5.577 -4.434 1.00 10.00 H new ATOM 770 N ASP A 127 5.036 6.094 -7.294 1.00 10.00 N ATOM 771 CA ASP A 127 4.928 7.023 -8.413 1.00 10.00 C ATOM 772 C ASP A 127 3.473 7.331 -8.788 1.00 10.00 C ATOM 773 O ASP A 127 3.151 7.371 -9.975 1.00 10.00 O ATOM 774 CB ASP A 127 5.745 6.503 -9.615 1.00 10.00 C ATOM 775 CG ASP A 127 7.246 6.697 -9.449 1.00 10.00 C ATOM 776 OD1 ASP A 127 7.803 6.076 -8.521 1.00 10.00 O ATOM 777 OD2 ASP A 127 7.815 7.475 -10.247 1.00 10.00 O ATOM 0 H ASP A 127 5.723 6.393 -6.602 1.00 10.00 H new ATOM 0 HA ASP A 127 5.354 7.976 -8.098 1.00 10.00 H new ATOM 0 HB2 ASP A 127 5.536 5.443 -9.757 1.00 10.00 H new ATOM 0 HB3 ASP A 127 5.417 7.016 -10.519 1.00 10.00 H new ATOM 782 N VAL A 128 2.578 7.577 -7.813 1.00 10.00 N ATOM 783 CA VAL A 128 1.203 7.895 -8.186 1.00 10.00 C ATOM 784 C VAL A 128 1.032 9.372 -8.558 1.00 10.00 C ATOM 785 O VAL A 128 1.391 9.793 -9.653 1.00 10.00 O ATOM 786 CB VAL A 128 0.104 7.243 -7.340 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.272 7.467 -7.995 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.383 5.727 -7.260 1.00 10.00 C ATOM 0 H VAL A 128 2.774 7.562 -6.812 1.00 10.00 H new ATOM 0 HA VAL A 128 1.016 7.365 -9.120 1.00 10.00 H new ATOM 0 HB VAL A 128 0.099 7.686 -6.344 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.045 7.000 -7.386 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.468 8.536 -8.073 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -1.277 7.024 -8.991 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.390 5.246 -6.661 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.380 5.303 -8.264 1.00 10.00 H new ATOM 0 HG23 VAL A 128 1.356 5.560 -6.798 1.00 10.00 H new ATOM 798 N ASP A 129 0.420 10.160 -7.672 1.00 10.00 N ATOM 799 CA ASP A 129 -0.166 11.440 -8.054 1.00 10.00 C ATOM 800 C ASP A 129 0.905 12.490 -8.371 1.00 10.00 C ATOM 801 O ASP A 129 0.846 13.181 -9.386 1.00 10.00 O ATOM 802 CB ASP A 129 -1.100 11.892 -6.928 1.00 10.00 C ATOM 803 CG ASP A 129 -1.978 13.051 -7.358 1.00 10.00 C ATOM 804 OD1 ASP A 129 -2.990 12.769 -8.033 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.638 14.186 -6.963 1.00 10.00 O ATOM 0 H ASP A 129 0.319 9.931 -6.683 1.00 10.00 H new ATOM 0 HA ASP A 129 -0.737 11.320 -8.975 1.00 10.00 H new ATOM 0 HB2 ASP A 129 -1.727 11.056 -6.618 1.00 10.00 H new ATOM 0 HB3 ASP A 129 -0.509 12.186 -6.061 1.00 10.00 H new ATOM 810 N GLN A 130 1.901 12.588 -7.487 1.00 10.00 N ATOM 811 CA GLN A 130 3.038 13.495 -7.588 1.00 10.00 C ATOM 812 C GLN A 130 4.230 12.836 -6.893 1.00 10.00 C ATOM 813 O GLN A 130 4.615 13.251 -5.800 1.00 10.00 O ATOM 814 CB GLN A 130 2.690 14.872 -6.991 1.00 10.00 C ATOM 815 CG GLN A 130 2.114 14.801 -5.566 1.00 10.00 C ATOM 816 CD GLN A 130 2.903 15.611 -4.539 1.00 10.00 C ATOM 817 OE1 GLN A 130 2.653 16.794 -4.339 1.00 10.00 O ATOM 818 NE2 GLN A 130 3.831 14.965 -3.841 1.00 10.00 N ATOM 0 H GLN A 130 1.935 12.011 -6.647 1.00 10.00 H new ATOM 0 HA GLN A 130 3.297 13.677 -8.631 1.00 10.00 H new ATOM 0 HB2 GLN A 130 3.587 15.491 -6.980 1.00 10.00 H new ATOM 0 HB3 GLN A 130 1.969 15.368 -7.641 1.00 10.00 H new ATOM 0 HG2 GLN A 130 1.084 15.158 -5.583 1.00 10.00 H new ATOM 0 HG3 GLN A 130 2.085 13.759 -5.248 1.00 10.00 H new ATOM 0 HE21 GLN A 130 4.017 13.980 -4.030 1.00 10.00 H new ATOM 0 HE22 GLN A 130 4.357 15.454 -3.117 1.00 10.00 H new ATOM 827 N ASP A 131 4.774 11.780 -7.508 1.00 10.00 N ATOM 828 CA ASP A 131 5.867 10.972 -6.969 1.00 10.00 C ATOM 829 C ASP A 131 5.433 10.330 -5.643 1.00 10.00 C ATOM 830 O ASP A 131 4.899 9.221 -5.635 1.00 10.00 O ATOM 831 CB ASP A 131 7.164 11.807 -6.910 1.00 10.00 C ATOM 832 CG ASP A 131 8.368 11.045 -6.361 1.00 10.00 C ATOM 833 OD1 ASP A 131 8.340 10.743 -5.150 1.00 10.00 O ATOM 834 OD2 ASP A 131 9.329 10.848 -7.137 1.00 10.00 O ATOM 0 H ASP A 131 4.455 11.457 -8.421 1.00 10.00 H new ATOM 0 HA ASP A 131 6.102 10.136 -7.628 1.00 10.00 H new ATOM 0 HB2 ASP A 131 7.400 12.165 -7.912 1.00 10.00 H new ATOM 0 HB3 ASP A 131 6.990 12.687 -6.290 1.00 10.00 H new ATOM 839 N GLY A 132 5.556 11.059 -4.534 1.00 10.00 N ATOM 840 CA GLY A 132 5.286 10.580 -3.187 1.00 10.00 C ATOM 841 C GLY A 132 3.791 10.565 -2.865 1.00 10.00 C ATOM 842 O GLY A 132 3.362 11.157 -1.875 1.00 10.00 O ATOM 0 H GLY A 132 5.857 12.033 -4.554 1.00 10.00 H new ATOM 0 HA2 GLY A 132 5.690 9.574 -3.074 1.00 10.00 H new ATOM 0 HA3 GLY A 132 5.804 11.214 -2.468 1.00 10.00 H new ATOM 846 N ARG A 133 2.994 9.880 -3.689 1.00 10.00 N ATOM 847 CA ARG A 133 1.567 9.650 -3.507 1.00 10.00 C ATOM 848 C ARG A 133 1.247 8.305 -4.167 1.00 10.00 C ATOM 849 O ARG A 133 2.073 7.756 -4.896 1.00 10.00 O ATOM 850 CB ARG A 133 0.753 10.758 -4.191 1.00 10.00 C ATOM 851 CG ARG A 133 0.737 12.117 -3.479 1.00 10.00 C ATOM 852 CD ARG A 133 -0.152 12.141 -2.233 1.00 10.00 C ATOM 853 NE ARG A 133 -0.330 13.530 -1.787 1.00 10.00 N ATOM 854 CZ ARG A 133 -1.332 13.981 -1.017 1.00 10.00 C ATOM 855 NH1 ARG A 133 -2.161 13.128 -0.406 1.00 10.00 N ATOM 856 NH2 ARG A 133 -1.499 15.301 -0.866 1.00 10.00 N ATOM 0 H ARG A 133 3.349 9.451 -4.543 1.00 10.00 H new ATOM 0 HA ARG A 133 1.312 9.648 -2.447 1.00 10.00 H new ATOM 0 HB2 ARG A 133 1.146 10.902 -5.197 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -0.276 10.413 -4.297 1.00 10.00 H new ATOM 0 HG2 ARG A 133 1.755 12.382 -3.195 1.00 10.00 H new ATOM 0 HG3 ARG A 133 0.392 12.880 -4.177 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -1.120 11.692 -2.455 1.00 10.00 H new ATOM 0 HD3 ARG A 133 0.300 11.547 -1.439 1.00 10.00 H new ATOM 0 HE ARG A 133 0.368 14.210 -2.089 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -2.035 12.123 -0.523 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -2.919 13.483 0.177 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -0.868 15.952 -1.334 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -2.257 15.656 -0.283 1.00 10.00 H new ATOM 870 N VAL A 134 0.055 7.773 -3.869 1.00 10.00 N ATOM 871 CA VAL A 134 -0.234 6.349 -3.875 1.00 10.00 C ATOM 872 C VAL A 134 -1.762 6.166 -3.908 1.00 10.00 C ATOM 873 O VAL A 134 -2.419 6.101 -2.868 1.00 10.00 O ATOM 874 CB VAL A 134 0.352 5.729 -2.600 1.00 10.00 C ATOM 875 CG1 VAL A 134 1.779 5.213 -2.685 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.377 6.778 -1.505 1.00 10.00 C ATOM 0 H VAL A 134 -0.751 8.343 -3.611 1.00 10.00 H new ATOM 0 HA VAL A 134 0.206 5.861 -4.745 1.00 10.00 H new ATOM 0 HB VAL A 134 -0.297 4.873 -2.413 1.00 10.00 H new ATOM 0 HG11 VAL A 134 2.075 4.800 -1.721 1.00 10.00 H new ATOM 0 HG12 VAL A 134 1.840 4.436 -3.447 1.00 10.00 H new ATOM 0 HG13 VAL A 134 2.447 6.033 -2.949 1.00 10.00 H new ATOM 0 HG21 VAL A 134 0.792 6.344 -0.595 1.00 10.00 H new ATOM 0 HG22 VAL A 134 0.994 7.619 -1.821 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.638 7.125 -1.311 1.00 10.00 H new ATOM 886 N ASN A 135 -2.345 6.096 -5.103 1.00 10.00 N ATOM 887 CA ASN A 135 -3.751 5.755 -5.270 1.00 10.00 C ATOM 888 C ASN A 135 -3.945 4.304 -4.826 1.00 10.00 C ATOM 889 O ASN A 135 -3.200 3.439 -5.275 1.00 10.00 O ATOM 890 CB ASN A 135 -4.194 6.008 -6.715 1.00 10.00 C ATOM 891 CG ASN A 135 -5.624 5.568 -7.046 1.00 10.00 C ATOM 892 OD1 ASN A 135 -6.215 4.717 -6.391 1.00 10.00 O ATOM 893 ND2 ASN A 135 -6.188 6.114 -8.118 1.00 10.00 N ATOM 0 H ASN A 135 -1.855 6.274 -5.980 1.00 10.00 H new ATOM 0 HA ASN A 135 -4.385 6.389 -4.649 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.101 7.073 -6.925 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -3.507 5.490 -7.385 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -7.124 5.826 -8.405 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -5.685 6.821 -8.654 1.00 10.00 H new ATOM 900 N TYR A 136 -4.928 4.049 -3.959 1.00 10.00 N ATOM 901 CA TYR A 136 -5.356 2.726 -3.528 1.00 10.00 C ATOM 902 C TYR A 136 -5.349 1.718 -4.696 1.00 10.00 C ATOM 903 O TYR A 136 -4.690 0.679 -4.626 1.00 10.00 O ATOM 904 CB TYR A 136 -6.714 2.888 -2.849 1.00 10.00 C ATOM 905 CG TYR A 136 -7.523 1.619 -2.803 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.259 0.662 -1.815 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.423 1.331 -3.840 1.00 10.00 C ATOM 908 CE1 TYR A 136 -7.897 -0.586 -1.860 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.088 0.100 -3.868 1.00 10.00 C ATOM 910 CZ TYR A 136 -8.845 -0.854 -2.864 1.00 10.00 C ATOM 911 OH TYR A 136 -9.474 -2.062 -2.905 1.00 10.00 O ATOM 0 H TYR A 136 -5.468 4.796 -3.522 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.657 2.299 -2.809 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.561 3.248 -1.832 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.284 3.653 -3.375 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.564 0.885 -1.019 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -8.603 2.059 -4.617 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.661 -1.341 -1.124 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -9.788 -0.117 -4.661 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.098 -2.080 -3.660 1.00 10.00 H new ATOM 921 N GLU A 137 -6.072 2.035 -5.773 1.00 10.00 N ATOM 922 CA GLU A 137 -6.269 1.145 -6.908 1.00 10.00 C ATOM 923 C GLU A 137 -5.009 1.105 -7.776 1.00 10.00 C ATOM 924 O GLU A 137 -4.481 0.034 -8.077 1.00 10.00 O ATOM 925 CB GLU A 137 -7.488 1.621 -7.715 1.00 10.00 C ATOM 926 CG GLU A 137 -7.900 0.600 -8.786 1.00 10.00 C ATOM 927 CD GLU A 137 -9.023 1.112 -9.683 1.00 10.00 C ATOM 928 OE1 GLU A 137 -9.494 2.242 -9.431 1.00 10.00 O ATOM 929 OE2 GLU A 137 -9.380 0.361 -10.616 1.00 10.00 O ATOM 0 H GLU A 137 -6.543 2.934 -5.878 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.457 0.131 -6.554 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.325 1.796 -7.039 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -7.258 2.574 -8.191 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -7.034 0.353 -9.400 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -8.220 -0.322 -8.300 1.00 10.00 H new ATOM 936 N GLU A 138 -4.535 2.281 -8.192 1.00 10.00 N ATOM 937 CA GLU A 138 -3.413 2.383 -9.119 1.00 10.00 C ATOM 938 C GLU A 138 -2.182 1.691 -8.520 1.00 10.00 C ATOM 939 O GLU A 138 -1.553 0.860 -9.175 1.00 10.00 O ATOM 940 CB GLU A 138 -3.169 3.850 -9.515 1.00 10.00 C ATOM 941 CG GLU A 138 -2.981 4.021 -11.027 1.00 10.00 C ATOM 942 CD GLU A 138 -1.815 3.204 -11.564 1.00 10.00 C ATOM 943 OE1 GLU A 138 -0.740 3.292 -10.939 1.00 10.00 O ATOM 944 OE2 GLU A 138 -2.035 2.507 -12.578 1.00 10.00 O ATOM 0 H GLU A 138 -4.916 3.180 -7.897 1.00 10.00 H new ATOM 0 HA GLU A 138 -3.645 1.861 -10.047 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -4.011 4.458 -9.185 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -2.285 4.222 -8.997 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -3.896 3.724 -11.540 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -2.817 5.075 -11.253 1.00 10.00 H new ATOM 951 N PHE A 139 -1.901 1.934 -7.231 1.00 10.00 N ATOM 952 CA PHE A 139 -0.939 1.122 -6.505 1.00 10.00 C ATOM 953 C PHE A 139 -1.156 -0.355 -6.781 1.00 10.00 C ATOM 954 O PHE A 139 -0.245 -1.053 -7.216 1.00 10.00 O ATOM 955 CB PHE A 139 -0.998 1.392 -4.998 1.00 10.00 C ATOM 956 CG PHE A 139 0.147 0.775 -4.211 1.00 10.00 C ATOM 957 CD1 PHE A 139 0.444 -0.604 -4.288 1.00 10.00 C ATOM 958 CD2 PHE A 139 0.926 1.598 -3.383 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.620 -1.105 -3.714 1.00 10.00 C ATOM 960 CE2 PHE A 139 2.057 1.081 -2.733 1.00 10.00 C ATOM 961 CZ PHE A 139 2.395 -0.271 -2.898 1.00 10.00 C ATOM 0 H PHE A 139 -2.327 2.681 -6.682 1.00 10.00 H new ATOM 0 HA PHE A 139 0.053 1.402 -6.860 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -0.999 2.469 -4.833 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -1.941 1.009 -4.608 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -0.237 -1.274 -4.791 1.00 10.00 H new ATOM 0 HD2 PHE A 139 0.654 2.634 -3.245 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.926 -2.124 -3.899 1.00 10.00 H new ATOM 0 HE2 PHE A 139 2.664 1.720 -2.109 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.260 -0.672 -2.391 1.00 10.00 H new ATOM 971 N ALA A 140 -2.346 -0.851 -6.463 1.00 10.00 N ATOM 972 CA ALA A 140 -2.605 -2.272 -6.525 1.00 10.00 C ATOM 973 C ALA A 140 -2.341 -2.832 -7.924 1.00 10.00 C ATOM 974 O ALA A 140 -1.836 -3.944 -8.060 1.00 10.00 O ATOM 975 CB ALA A 140 -4.017 -2.537 -6.036 1.00 10.00 C ATOM 0 H ALA A 140 -3.140 -0.287 -6.161 1.00 10.00 H new ATOM 0 HA ALA A 140 -1.914 -2.800 -5.869 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.222 -3.607 -6.079 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.117 -2.189 -5.008 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.727 -2.006 -6.670 1.00 10.00 H new ATOM 981 N ARG A 141 -2.628 -2.039 -8.959 1.00 10.00 N ATOM 982 CA ARG A 141 -2.223 -2.337 -10.326 1.00 10.00 C ATOM 983 C ARG A 141 -0.712 -2.590 -10.398 1.00 10.00 C ATOM 984 O ARG A 141 -0.286 -3.659 -10.830 1.00 10.00 O ATOM 985 CB ARG A 141 -2.637 -1.169 -11.237 1.00 10.00 C ATOM 986 CG ARG A 141 -2.779 -1.562 -12.709 1.00 10.00 C ATOM 987 CD ARG A 141 -2.818 -0.273 -13.541 1.00 10.00 C ATOM 988 NE ARG A 141 -3.293 -0.499 -14.914 1.00 10.00 N ATOM 989 CZ ARG A 141 -2.584 -1.076 -15.895 1.00 10.00 C ATOM 990 NH1 ARG A 141 -1.339 -1.504 -15.659 1.00 10.00 N ATOM 991 NH2 ARG A 141 -3.133 -1.227 -17.105 1.00 10.00 N ATOM 0 H ARG A 141 -3.151 -1.168 -8.867 1.00 10.00 H new ATOM 0 HA ARG A 141 -2.721 -3.245 -10.666 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.585 -0.763 -10.885 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.898 -0.373 -11.152 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -1.944 -2.190 -13.018 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -3.689 -2.143 -12.863 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -3.468 0.452 -13.051 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -1.820 0.164 -13.573 1.00 10.00 H new ATOM 0 HE ARG A 141 -4.239 -0.192 -15.139 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -0.928 -1.392 -14.732 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -0.800 -1.943 -16.406 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -4.085 -0.904 -17.277 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -2.600 -1.665 -17.856 1.00 10.00 H new ATOM 1005 N MET A 142 0.104 -1.609 -10.004 1.00 10.00 N ATOM 1006 CA MET A 142 1.545 -1.685 -10.221 1.00 10.00 C ATOM 1007 C MET A 142 2.282 -2.563 -9.201 1.00 10.00 C ATOM 1008 O MET A 142 3.386 -3.011 -9.507 1.00 10.00 O ATOM 1009 CB MET A 142 2.152 -0.289 -10.397 1.00 10.00 C ATOM 1010 CG MET A 142 2.224 0.527 -9.106 1.00 10.00 C ATOM 1011 SD MET A 142 3.595 0.104 -8.000 1.00 10.00 S ATOM 1012 CE MET A 142 2.945 0.800 -6.475 1.00 10.00 C ATOM 0 H MET A 142 -0.209 -0.759 -9.536 1.00 10.00 H new ATOM 0 HA MET A 142 1.695 -2.212 -11.163 1.00 10.00 H new ATOM 0 HB2 MET A 142 3.157 -0.390 -10.807 1.00 10.00 H new ATOM 0 HB3 MET A 142 1.563 0.262 -11.130 1.00 10.00 H new ATOM 0 HG2 MET A 142 2.301 1.583 -9.366 1.00 10.00 H new ATOM 0 HG3 MET A 142 1.288 0.400 -8.563 1.00 10.00 H new ATOM 0 HE1 MET A 142 3.734 0.829 -5.723 1.00 10.00 H new ATOM 0 HE2 MET A 142 2.584 1.811 -6.662 1.00 10.00 H new ATOM 0 HE3 MET A 142 2.123 0.182 -6.114 1.00 10.00 H new ATOM 1022 N LEU A 143 1.671 -2.861 -8.038 1.00 10.00 N ATOM 1023 CA LEU A 143 2.127 -3.869 -7.073 1.00 10.00 C ATOM 1024 C LEU A 143 2.658 -5.075 -7.851 1.00 10.00 C ATOM 1025 O LEU A 143 3.742 -5.591 -7.588 1.00 10.00 O ATOM 1026 CB LEU A 143 1.004 -4.202 -6.066 1.00 10.00 C ATOM 1027 CG LEU A 143 0.328 -5.558 -6.282 1.00 10.00 C ATOM 1028 CD1 LEU A 143 1.306 -6.699 -5.948 1.00 10.00 C ATOM 1029 CD2 LEU A 143 -0.810 -5.596 -5.292 1.00 10.00 C ATOM 0 H LEU A 143 0.818 -2.388 -7.738 1.00 10.00 H new ATOM 0 HA LEU A 143 2.948 -3.492 -6.462 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.419 -4.176 -5.059 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.245 -3.421 -6.119 1.00 10.00 H new ATOM 0 HG LEU A 143 -0.000 -5.680 -7.314 1.00 10.00 H new ATOM 0 HD11 LEU A 143 0.813 -7.658 -6.106 1.00 10.00 H new ATOM 0 HD12 LEU A 143 2.181 -6.630 -6.595 1.00 10.00 H new ATOM 0 HD13 LEU A 143 1.618 -6.618 -4.907 1.00 10.00 H new ATOM 0 HD21 LEU A 143 -1.344 -6.542 -5.387 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.415 -5.502 -4.280 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -1.494 -4.771 -5.492 1.00 10.00 H new ATOM 1041 N ALA A 144 1.839 -5.518 -8.805 1.00 10.00 N ATOM 1042 CA ALA A 144 2.093 -6.646 -9.673 1.00 10.00 C ATOM 1043 C ALA A 144 3.338 -6.405 -10.517 1.00 10.00 C ATOM 1044 O ALA A 144 4.315 -7.147 -10.422 1.00 10.00 O ATOM 1045 CB ALA A 144 0.868 -6.823 -10.567 1.00 10.00 C ATOM 0 H ALA A 144 0.941 -5.073 -8.995 1.00 10.00 H new ATOM 0 HA ALA A 144 2.269 -7.546 -9.083 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.026 -7.668 -11.237 1.00 10.00 H new ATOM 0 HB2 ALA A 144 -0.010 -7.009 -9.948 1.00 10.00 H new ATOM 0 HB3 ALA A 144 0.713 -5.918 -11.155 1.00 10.00 H new