USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 525 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 97 HIS : no HE2:sc= -0.94 K(o=-1.3,f=-4.3!) USER MOD Set 1.2: A 135 ASN : amide:sc= -0.345 K(o=-1.3,f=-4.6) USER MOD Single : A 84 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.28) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 136 TYR OH : rot -103:sc= 1.23 USER MOD Single : A 142 MET CE :methyl -146:sc= 0 (180deg=-0.19) USER MOD Single : A 145 GLN : amide:sc= 1.25 K(o=1.2,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 76 -6.153 -15.797 -3.014 1.00 10.00 N ATOM 2 CA ALA A 76 -5.485 -16.510 -4.114 1.00 10.00 C ATOM 3 C ALA A 76 -3.970 -16.494 -3.910 1.00 10.00 C ATOM 4 O ALA A 76 -3.468 -17.365 -3.207 1.00 10.00 O ATOM 5 CB ALA A 76 -5.923 -15.979 -5.483 1.00 10.00 C ATOM 0 HA ALA A 76 -5.797 -17.554 -4.099 1.00 10.00 H new ATOM 0 HB1 ALA A 76 -5.408 -16.531 -6.269 1.00 10.00 H new ATOM 0 HB2 ALA A 76 -7.000 -16.107 -5.596 1.00 10.00 H new ATOM 0 HB3 ALA A 76 -5.674 -14.921 -5.560 1.00 10.00 H new ATOM 13 N ARG A 77 -3.247 -15.521 -4.477 1.00 10.00 N ATOM 14 CA ARG A 77 -1.802 -15.395 -4.307 1.00 10.00 C ATOM 15 C ARG A 77 -1.505 -14.144 -3.497 1.00 10.00 C ATOM 16 O ARG A 77 -2.133 -13.098 -3.680 1.00 10.00 O ATOM 17 CB ARG A 77 -1.089 -15.341 -5.674 1.00 10.00 C ATOM 18 CG ARG A 77 0.343 -15.906 -5.601 1.00 10.00 C ATOM 19 CD ARG A 77 1.380 -15.118 -6.419 1.00 10.00 C ATOM 20 NE ARG A 77 1.065 -15.035 -7.859 1.00 10.00 N ATOM 21 CZ ARG A 77 1.820 -14.377 -8.764 1.00 10.00 C ATOM 22 NH1 ARG A 77 2.980 -13.825 -8.389 1.00 10.00 N ATOM 23 NH2 ARG A 77 1.427 -14.265 -10.038 1.00 10.00 N ATOM 0 H ARG A 77 -3.654 -14.797 -5.069 1.00 10.00 H new ATOM 0 HA ARG A 77 -1.426 -16.269 -3.775 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -1.665 -15.907 -6.406 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -1.054 -14.309 -6.024 1.00 10.00 H new ATOM 0 HG2 ARG A 77 0.660 -15.926 -4.558 1.00 10.00 H new ATOM 0 HG3 ARG A 77 0.331 -16.938 -5.950 1.00 10.00 H new ATOM 0 HD2 ARG A 77 1.457 -14.109 -6.015 1.00 10.00 H new ATOM 0 HD3 ARG A 77 2.357 -15.586 -6.297 1.00 10.00 H new ATOM 0 HE ARG A 77 0.223 -15.505 -8.191 1.00 10.00 H new ATOM 0 HH11 ARG A 77 3.292 -13.902 -7.421 1.00 10.00 H new ATOM 0 HH12 ARG A 77 3.552 -13.327 -9.071 1.00 10.00 H new ATOM 0 HH21 ARG A 77 0.545 -14.680 -10.338 1.00 10.00 H new ATOM 0 HH22 ARG A 77 2.009 -13.764 -10.709 1.00 10.00 H new ATOM 37 N ALA A 78 -0.518 -14.284 -2.618 1.00 10.00 N ATOM 38 CA ALA A 78 0.096 -13.186 -1.918 1.00 10.00 C ATOM 39 C ALA A 78 0.796 -12.258 -2.901 1.00 10.00 C ATOM 40 O ALA A 78 0.747 -12.442 -4.120 1.00 10.00 O ATOM 41 CB ALA A 78 1.075 -13.754 -0.902 1.00 10.00 C ATOM 0 H ALA A 78 -0.121 -15.191 -2.374 1.00 10.00 H new ATOM 0 HA ALA A 78 -0.661 -12.597 -1.399 1.00 10.00 H new ATOM 0 HB1 ALA A 78 1.552 -12.937 -0.360 1.00 10.00 H new ATOM 0 HB2 ALA A 78 0.540 -14.393 -0.199 1.00 10.00 H new ATOM 0 HB3 ALA A 78 1.836 -14.340 -1.418 1.00 10.00 H new ATOM 47 N GLY A 79 1.382 -11.194 -2.365 1.00 10.00 N ATOM 48 CA GLY A 79 1.392 -9.967 -3.116 1.00 10.00 C ATOM 49 C GLY A 79 -0.061 -9.515 -3.153 1.00 10.00 C ATOM 50 O GLY A 79 -0.498 -8.821 -2.251 1.00 10.00 O ATOM 0 H GLY A 79 1.836 -11.162 -1.452 1.00 10.00 H new ATOM 0 HA2 GLY A 79 2.026 -9.219 -2.641 1.00 10.00 H new ATOM 0 HA3 GLY A 79 1.782 -10.123 -4.122 1.00 10.00 H new ATOM 54 N LEU A 80 -0.835 -9.889 -4.169 1.00 10.00 N ATOM 55 CA LEU A 80 -2.072 -9.184 -4.457 1.00 10.00 C ATOM 56 C LEU A 80 -3.151 -9.388 -3.401 1.00 10.00 C ATOM 57 O LEU A 80 -3.672 -8.399 -2.884 1.00 10.00 O ATOM 58 CB LEU A 80 -2.498 -9.552 -5.887 1.00 10.00 C ATOM 59 CG LEU A 80 -3.597 -8.709 -6.548 1.00 10.00 C ATOM 60 CD1 LEU A 80 -4.974 -8.883 -5.911 1.00 10.00 C ATOM 61 CD2 LEU A 80 -3.244 -7.223 -6.636 1.00 10.00 C ATOM 0 H LEU A 80 -0.628 -10.666 -4.797 1.00 10.00 H new ATOM 0 HA LEU A 80 -1.904 -8.108 -4.408 1.00 10.00 H new ATOM 0 HB2 LEU A 80 -1.613 -9.505 -6.522 1.00 10.00 H new ATOM 0 HB3 LEU A 80 -2.831 -10.590 -5.880 1.00 10.00 H new ATOM 0 HG LEU A 80 -3.655 -9.104 -7.562 1.00 10.00 H new ATOM 0 HD11 LEU A 80 -5.698 -8.256 -6.432 1.00 10.00 H new ATOM 0 HD12 LEU A 80 -5.279 -9.927 -5.984 1.00 10.00 H new ATOM 0 HD13 LEU A 80 -4.929 -8.591 -4.862 1.00 10.00 H new ATOM 0 HD21 LEU A 80 -4.062 -6.682 -7.113 1.00 10.00 H new ATOM 0 HD22 LEU A 80 -3.084 -6.827 -5.633 1.00 10.00 H new ATOM 0 HD23 LEU A 80 -2.335 -7.099 -7.225 1.00 10.00 H new ATOM 73 N GLU A 81 -3.491 -10.633 -3.058 1.00 10.00 N ATOM 74 CA GLU A 81 -4.525 -10.862 -2.055 1.00 10.00 C ATOM 75 C GLU A 81 -4.112 -10.170 -0.754 1.00 10.00 C ATOM 76 O GLU A 81 -4.866 -9.382 -0.179 1.00 10.00 O ATOM 77 CB GLU A 81 -4.724 -12.373 -1.845 1.00 10.00 C ATOM 78 CG GLU A 81 -6.148 -12.675 -1.364 1.00 10.00 C ATOM 79 CD GLU A 81 -7.139 -12.582 -2.514 1.00 10.00 C ATOM 80 OE1 GLU A 81 -6.972 -13.422 -3.427 1.00 10.00 O ATOM 81 OE2 GLU A 81 -8.025 -11.709 -2.461 1.00 10.00 O ATOM 0 H GLU A 81 -3.075 -11.477 -3.451 1.00 10.00 H new ATOM 0 HA GLU A 81 -5.475 -10.445 -2.389 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.531 -12.903 -2.778 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -4.003 -12.741 -1.115 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -6.185 -13.673 -0.926 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -6.428 -11.972 -0.579 1.00 10.00 H new ATOM 88 N ASP A 82 -2.867 -10.441 -0.350 1.00 10.00 N ATOM 89 CA ASP A 82 -2.226 -9.880 0.828 1.00 10.00 C ATOM 90 C ASP A 82 -2.437 -8.381 0.837 1.00 10.00 C ATOM 91 O ASP A 82 -2.931 -7.804 1.797 1.00 10.00 O ATOM 92 CB ASP A 82 -0.726 -10.211 0.843 1.00 10.00 C ATOM 93 CG ASP A 82 -0.426 -11.642 1.257 1.00 10.00 C ATOM 94 OD1 ASP A 82 -1.271 -12.516 0.968 1.00 10.00 O ATOM 95 OD2 ASP A 82 0.676 -11.841 1.809 1.00 10.00 O ATOM 0 H ASP A 82 -2.260 -11.083 -0.860 1.00 10.00 H new ATOM 0 HA ASP A 82 -2.671 -10.317 1.722 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -0.313 -10.034 -0.150 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -0.218 -9.529 1.526 1.00 10.00 H new ATOM 100 N LEU A 83 -2.050 -7.742 -0.251 1.00 10.00 N ATOM 101 CA LEU A 83 -2.041 -6.310 -0.349 1.00 10.00 C ATOM 102 C LEU A 83 -3.438 -5.703 -0.427 1.00 10.00 C ATOM 103 O LEU A 83 -3.703 -4.728 0.261 1.00 10.00 O ATOM 104 CB LEU A 83 -1.019 -5.892 -1.387 1.00 10.00 C ATOM 105 CG LEU A 83 0.400 -6.164 -0.815 1.00 10.00 C ATOM 106 CD1 LEU A 83 1.400 -5.419 -1.658 1.00 10.00 C ATOM 107 CD2 LEU A 83 0.700 -5.715 0.621 1.00 10.00 C ATOM 0 H LEU A 83 -1.731 -8.216 -1.096 1.00 10.00 H new ATOM 0 HA LEU A 83 -1.696 -5.859 0.581 1.00 10.00 H new ATOM 0 HB2 LEU A 83 -1.168 -6.449 -2.312 1.00 10.00 H new ATOM 0 HB3 LEU A 83 -1.134 -4.835 -1.629 1.00 10.00 H new ATOM 0 HG LEU A 83 0.460 -7.252 -0.824 1.00 10.00 H new ATOM 0 HD11 LEU A 83 2.404 -5.596 -1.273 1.00 10.00 H new ATOM 0 HD12 LEU A 83 1.339 -5.769 -2.689 1.00 10.00 H new ATOM 0 HD13 LEU A 83 1.182 -4.352 -1.623 1.00 10.00 H new ATOM 0 HD21 LEU A 83 1.728 -5.973 0.876 1.00 10.00 H new ATOM 0 HD22 LEU A 83 0.567 -4.636 0.700 1.00 10.00 H new ATOM 0 HD23 LEU A 83 0.019 -6.216 1.309 1.00 10.00 H new ATOM 119 N GLN A 84 -4.391 -6.279 -1.152 1.00 10.00 N ATOM 120 CA GLN A 84 -5.749 -5.749 -1.072 1.00 10.00 C ATOM 121 C GLN A 84 -6.279 -5.861 0.371 1.00 10.00 C ATOM 122 O GLN A 84 -6.874 -4.914 0.890 1.00 10.00 O ATOM 123 CB GLN A 84 -6.639 -6.463 -2.104 1.00 10.00 C ATOM 124 CG GLN A 84 -7.687 -5.520 -2.714 1.00 10.00 C ATOM 125 CD GLN A 84 -7.076 -4.499 -3.678 1.00 10.00 C ATOM 126 OE1 GLN A 84 -6.535 -3.481 -3.262 1.00 10.00 O ATOM 127 NE2 GLN A 84 -7.153 -4.756 -4.981 1.00 10.00 N ATOM 0 H GLN A 84 -4.261 -7.076 -1.775 1.00 10.00 H new ATOM 0 HA GLN A 84 -5.758 -4.688 -1.320 1.00 10.00 H new ATOM 0 HB2 GLN A 84 -6.015 -6.873 -2.898 1.00 10.00 H new ATOM 0 HB3 GLN A 84 -7.142 -7.304 -1.628 1.00 10.00 H new ATOM 0 HG2 GLN A 84 -8.436 -6.110 -3.243 1.00 10.00 H new ATOM 0 HG3 GLN A 84 -8.205 -4.992 -1.913 1.00 10.00 H new ATOM 0 HE21 GLN A 84 -7.608 -5.609 -5.307 1.00 10.00 H new ATOM 0 HE22 GLN A 84 -6.757 -4.100 -5.654 1.00 10.00 H new ATOM 136 N VAL A 85 -6.019 -6.983 1.052 1.00 10.00 N ATOM 137 CA VAL A 85 -6.372 -7.181 2.438 1.00 10.00 C ATOM 138 C VAL A 85 -5.635 -6.175 3.339 1.00 10.00 C ATOM 139 O VAL A 85 -6.234 -5.628 4.261 1.00 10.00 O ATOM 140 CB VAL A 85 -6.083 -8.658 2.752 1.00 10.00 C ATOM 141 CG1 VAL A 85 -5.986 -8.906 4.244 1.00 10.00 C ATOM 142 CG2 VAL A 85 -7.167 -9.556 2.139 1.00 10.00 C ATOM 0 H VAL A 85 -5.548 -7.786 0.636 1.00 10.00 H new ATOM 0 HA VAL A 85 -7.426 -6.985 2.635 1.00 10.00 H new ATOM 0 HB VAL A 85 -5.118 -8.905 2.309 1.00 10.00 H new ATOM 0 HG11 VAL A 85 -5.781 -9.961 4.425 1.00 10.00 H new ATOM 0 HG12 VAL A 85 -5.180 -8.303 4.661 1.00 10.00 H new ATOM 0 HG13 VAL A 85 -6.928 -8.632 4.720 1.00 10.00 H new ATOM 0 HG21 VAL A 85 -6.949 -10.599 2.370 1.00 10.00 H new ATOM 0 HG22 VAL A 85 -8.139 -9.288 2.554 1.00 10.00 H new ATOM 0 HG23 VAL A 85 -7.184 -9.419 1.058 1.00 10.00 H new ATOM 152 N ALA A 86 -4.354 -5.903 3.068 1.00 10.00 N ATOM 153 CA ALA A 86 -3.567 -4.877 3.743 1.00 10.00 C ATOM 154 C ALA A 86 -4.326 -3.555 3.652 1.00 10.00 C ATOM 155 O ALA A 86 -4.685 -2.925 4.646 1.00 10.00 O ATOM 156 CB ALA A 86 -2.160 -4.774 3.100 1.00 10.00 C ATOM 0 H ALA A 86 -3.827 -6.406 2.354 1.00 10.00 H new ATOM 0 HA ALA A 86 -3.422 -5.133 4.793 1.00 10.00 H new ATOM 0 HB1 ALA A 86 -1.581 -4.005 3.612 1.00 10.00 H new ATOM 0 HB2 ALA A 86 -1.648 -5.732 3.189 1.00 10.00 H new ATOM 0 HB3 ALA A 86 -2.260 -4.512 2.047 1.00 10.00 H new ATOM 162 N PHE A 87 -4.582 -3.153 2.413 1.00 10.00 N ATOM 163 CA PHE A 87 -5.083 -1.844 2.056 1.00 10.00 C ATOM 164 C PHE A 87 -6.456 -1.634 2.679 1.00 10.00 C ATOM 165 O PHE A 87 -6.735 -0.539 3.157 1.00 10.00 O ATOM 166 CB PHE A 87 -5.070 -1.707 0.530 1.00 10.00 C ATOM 167 CG PHE A 87 -3.700 -1.355 -0.040 1.00 10.00 C ATOM 168 CD1 PHE A 87 -2.601 -2.154 0.296 1.00 10.00 C ATOM 169 CD2 PHE A 87 -3.492 -0.268 -0.910 1.00 10.00 C ATOM 170 CE1 PHE A 87 -1.429 -2.109 -0.447 1.00 10.00 C ATOM 171 CE2 PHE A 87 -2.219 -0.058 -1.473 1.00 10.00 C ATOM 172 CZ PHE A 87 -1.188 -0.984 -1.226 1.00 10.00 C ATOM 0 H PHE A 87 -4.439 -3.757 1.604 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.445 -1.054 2.452 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -5.409 -2.643 0.087 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -5.785 -0.938 0.237 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -2.666 -2.816 1.147 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.306 0.402 -1.145 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -0.724 -2.926 -0.420 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -2.034 0.808 -2.091 1.00 10.00 H new ATOM 0 HZ PHE A 87 -0.206 -0.819 -1.644 1.00 10.00 H new ATOM 182 N ARG A 88 -7.260 -2.702 2.747 1.00 10.00 N ATOM 183 CA ARG A 88 -8.550 -2.706 3.423 1.00 10.00 C ATOM 184 C ARG A 88 -8.510 -2.044 4.811 1.00 10.00 C ATOM 185 O ARG A 88 -9.513 -1.477 5.238 1.00 10.00 O ATOM 186 CB ARG A 88 -9.098 -4.139 3.509 1.00 10.00 C ATOM 187 CG ARG A 88 -10.581 -4.211 3.910 1.00 10.00 C ATOM 188 CD ARG A 88 -11.528 -3.502 2.928 1.00 10.00 C ATOM 189 NE ARG A 88 -11.390 -4.030 1.560 1.00 10.00 N ATOM 190 CZ ARG A 88 -11.942 -3.497 0.453 1.00 10.00 C ATOM 191 NH1 ARG A 88 -12.556 -2.316 0.500 1.00 10.00 N ATOM 192 NH2 ARG A 88 -11.887 -4.161 -0.705 1.00 10.00 N ATOM 0 H ARG A 88 -7.023 -3.600 2.325 1.00 10.00 H new ATOM 0 HA ARG A 88 -9.226 -2.098 2.822 1.00 10.00 H new ATOM 0 HB2 ARG A 88 -8.968 -4.627 2.543 1.00 10.00 H new ATOM 0 HB3 ARG A 88 -8.508 -4.702 4.232 1.00 10.00 H new ATOM 0 HG2 ARG A 88 -10.875 -5.258 3.991 1.00 10.00 H new ATOM 0 HG3 ARG A 88 -10.702 -3.769 4.899 1.00 10.00 H new ATOM 0 HD2 ARG A 88 -12.558 -3.625 3.263 1.00 10.00 H new ATOM 0 HD3 ARG A 88 -11.318 -2.432 2.928 1.00 10.00 H new ATOM 0 HE ARG A 88 -10.828 -4.872 1.441 1.00 10.00 H new ATOM 0 HH11 ARG A 88 -12.612 -1.805 1.381 1.00 10.00 H new ATOM 0 HH12 ARG A 88 -12.970 -1.923 -0.345 1.00 10.00 H new ATOM 0 HH21 ARG A 88 -11.427 -5.070 -0.750 1.00 10.00 H new ATOM 0 HH22 ARG A 88 -12.305 -3.758 -1.544 1.00 10.00 H new ATOM 206 N ALA A 89 -7.383 -2.124 5.532 1.00 10.00 N ATOM 207 CA ALA A 89 -7.259 -1.490 6.839 1.00 10.00 C ATOM 208 C ALA A 89 -7.487 0.027 6.748 1.00 10.00 C ATOM 209 O ALA A 89 -8.370 0.563 7.412 1.00 10.00 O ATOM 210 CB ALA A 89 -5.893 -1.825 7.446 1.00 10.00 C ATOM 0 H ALA A 89 -6.548 -2.623 5.227 1.00 10.00 H new ATOM 0 HA ALA A 89 -8.034 -1.883 7.497 1.00 10.00 H new ATOM 0 HB1 ALA A 89 -5.803 -1.350 8.423 1.00 10.00 H new ATOM 0 HB2 ALA A 89 -5.800 -2.905 7.558 1.00 10.00 H new ATOM 0 HB3 ALA A 89 -5.104 -1.458 6.790 1.00 10.00 H new ATOM 216 N PHE A 90 -6.682 0.715 5.935 1.00 10.00 N ATOM 217 CA PHE A 90 -6.699 2.166 5.779 1.00 10.00 C ATOM 218 C PHE A 90 -7.151 2.515 4.366 1.00 10.00 C ATOM 219 O PHE A 90 -6.431 3.157 3.602 1.00 10.00 O ATOM 220 CB PHE A 90 -5.319 2.682 6.131 1.00 10.00 C ATOM 221 CG PHE A 90 -4.882 2.192 7.504 1.00 10.00 C ATOM 222 CD1 PHE A 90 -5.218 2.918 8.659 1.00 10.00 C ATOM 223 CD2 PHE A 90 -4.037 1.071 7.603 1.00 10.00 C ATOM 224 CE1 PHE A 90 -4.726 2.511 9.911 1.00 10.00 C ATOM 225 CE2 PHE A 90 -3.550 0.661 8.853 1.00 10.00 C ATOM 226 CZ PHE A 90 -3.898 1.378 10.011 1.00 10.00 C ATOM 0 H PHE A 90 -5.980 0.261 5.351 1.00 10.00 H new ATOM 0 HA PHE A 90 -7.411 2.649 6.448 1.00 10.00 H new ATOM 0 HB2 PHE A 90 -4.602 2.352 5.379 1.00 10.00 H new ATOM 0 HB3 PHE A 90 -5.320 3.772 6.114 1.00 10.00 H new ATOM 0 HD1 PHE A 90 -5.854 3.788 8.585 1.00 10.00 H new ATOM 0 HD2 PHE A 90 -3.762 0.524 6.713 1.00 10.00 H new ATOM 0 HE1 PHE A 90 -4.984 3.069 10.799 1.00 10.00 H new ATOM 0 HE2 PHE A 90 -2.908 -0.205 8.926 1.00 10.00 H new ATOM 0 HZ PHE A 90 -3.531 1.060 10.975 1.00 10.00 H new ATOM 236 N ASP A 91 -8.348 2.034 4.032 1.00 10.00 N ATOM 237 CA ASP A 91 -8.919 2.058 2.698 1.00 10.00 C ATOM 238 C ASP A 91 -9.806 3.278 2.484 1.00 10.00 C ATOM 239 O ASP A 91 -10.116 4.023 3.414 1.00 10.00 O ATOM 240 CB ASP A 91 -9.752 0.782 2.562 1.00 10.00 C ATOM 241 CG ASP A 91 -10.031 0.348 1.137 1.00 10.00 C ATOM 242 OD1 ASP A 91 -9.665 1.093 0.202 1.00 10.00 O ATOM 243 OD2 ASP A 91 -10.621 -0.746 1.022 1.00 10.00 O ATOM 0 H ASP A 91 -8.967 1.600 4.717 1.00 10.00 H new ATOM 0 HA ASP A 91 -8.126 2.112 1.952 1.00 10.00 H new ATOM 0 HB2 ASP A 91 -9.236 -0.028 3.078 1.00 10.00 H new ATOM 0 HB3 ASP A 91 -10.703 0.931 3.073 1.00 10.00 H new ATOM 248 N GLN A 92 -10.253 3.434 1.243 1.00 10.00 N ATOM 249 CA GLN A 92 -11.341 4.276 0.837 1.00 10.00 C ATOM 250 C GLN A 92 -12.147 3.491 -0.205 1.00 10.00 C ATOM 251 O GLN A 92 -12.901 2.600 0.182 1.00 10.00 O ATOM 252 CB GLN A 92 -10.757 5.579 0.306 1.00 10.00 C ATOM 253 CG GLN A 92 -10.229 6.492 1.417 1.00 10.00 C ATOM 254 CD GLN A 92 -10.139 7.929 0.920 1.00 10.00 C ATOM 255 OE1 GLN A 92 -9.093 8.380 0.466 1.00 10.00 O ATOM 256 NE2 GLN A 92 -11.252 8.654 0.962 1.00 10.00 N ATOM 0 H GLN A 92 -9.831 2.941 0.456 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.015 4.542 1.651 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -9.947 5.352 -0.387 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -11.522 6.110 -0.261 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -10.888 6.440 2.284 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -9.247 6.150 1.742 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -12.108 8.253 1.345 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -11.250 9.612 0.611 1.00 10.00 H new ATOM 265 N ASP A 93 -11.989 3.811 -1.498 1.00 10.00 N ATOM 266 CA ASP A 93 -12.762 3.211 -2.588 1.00 10.00 C ATOM 267 C ASP A 93 -12.209 3.583 -3.977 1.00 10.00 C ATOM 268 O ASP A 93 -12.957 3.797 -4.929 1.00 10.00 O ATOM 269 CB ASP A 93 -14.251 3.598 -2.460 1.00 10.00 C ATOM 270 CG ASP A 93 -15.181 2.712 -3.285 1.00 10.00 C ATOM 271 OD1 ASP A 93 -14.777 1.570 -3.595 1.00 10.00 O ATOM 272 OD2 ASP A 93 -16.320 3.166 -3.533 1.00 10.00 O ATOM 0 H ASP A 93 -11.311 4.503 -1.817 1.00 10.00 H new ATOM 0 HA ASP A 93 -12.669 2.129 -2.499 1.00 10.00 H new ATOM 0 HB2 ASP A 93 -14.544 3.543 -1.412 1.00 10.00 H new ATOM 0 HB3 ASP A 93 -14.377 4.635 -2.772 1.00 10.00 H new ATOM 277 N GLY A 94 -10.880 3.665 -4.140 1.00 10.00 N ATOM 278 CA GLY A 94 -10.284 3.743 -5.475 1.00 10.00 C ATOM 279 C GLY A 94 -10.226 5.175 -5.993 1.00 10.00 C ATOM 280 O GLY A 94 -9.142 5.665 -6.311 1.00 10.00 O ATOM 0 H GLY A 94 -10.208 3.679 -3.373 1.00 10.00 H new ATOM 0 HA2 GLY A 94 -9.277 3.327 -5.447 1.00 10.00 H new ATOM 0 HA3 GLY A 94 -10.863 3.131 -6.167 1.00 10.00 H new ATOM 284 N ASP A 95 -11.376 5.855 -6.028 1.00 10.00 N ATOM 285 CA ASP A 95 -11.444 7.310 -6.131 1.00 10.00 C ATOM 286 C ASP A 95 -10.620 7.948 -5.007 1.00 10.00 C ATOM 287 O ASP A 95 -10.061 9.030 -5.170 1.00 10.00 O ATOM 288 CB ASP A 95 -12.911 7.766 -6.049 1.00 10.00 C ATOM 289 CG ASP A 95 -13.485 7.676 -4.635 1.00 10.00 C ATOM 290 OD1 ASP A 95 -13.144 6.692 -3.942 1.00 10.00 O ATOM 291 OD2 ASP A 95 -14.220 8.616 -4.265 1.00 10.00 O ATOM 0 H ASP A 95 -12.290 5.405 -5.985 1.00 10.00 H new ATOM 0 HA ASP A 95 -11.031 7.627 -7.089 1.00 10.00 H new ATOM 0 HB2 ASP A 95 -12.986 8.795 -6.401 1.00 10.00 H new ATOM 0 HB3 ASP A 95 -13.514 7.154 -6.720 1.00 10.00 H new ATOM 296 N GLY A 96 -10.588 7.246 -3.872 1.00 10.00 N ATOM 297 CA GLY A 96 -9.897 7.533 -2.655 1.00 10.00 C ATOM 298 C GLY A 96 -8.389 7.630 -2.807 1.00 10.00 C ATOM 299 O GLY A 96 -7.841 8.169 -3.765 1.00 10.00 O ATOM 0 H GLY A 96 -11.108 6.372 -3.796 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -10.272 8.473 -2.250 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -10.129 6.756 -1.926 1.00 10.00 H new ATOM 303 N HIS A 97 -7.716 7.082 -1.806 1.00 10.00 N ATOM 304 CA HIS A 97 -6.277 7.145 -1.646 1.00 10.00 C ATOM 305 C HIS A 97 -5.891 6.372 -0.392 1.00 10.00 C ATOM 306 O HIS A 97 -6.638 6.385 0.583 1.00 10.00 O ATOM 307 CB HIS A 97 -5.823 8.609 -1.518 1.00 10.00 C ATOM 308 CG HIS A 97 -4.982 9.056 -2.681 1.00 10.00 C ATOM 309 ND1 HIS A 97 -5.427 9.422 -3.929 1.00 10.00 N ATOM 310 CD2 HIS A 97 -3.621 9.021 -2.722 1.00 10.00 C ATOM 311 CE1 HIS A 97 -4.342 9.659 -4.690 1.00 10.00 C ATOM 312 NE2 HIS A 97 -3.219 9.408 -3.997 1.00 10.00 N ATOM 0 H HIS A 97 -8.177 6.564 -1.058 1.00 10.00 H new ATOM 0 HA HIS A 97 -5.791 6.706 -2.517 1.00 10.00 H new ATOM 0 HB2 HIS A 97 -6.700 9.252 -1.440 1.00 10.00 H new ATOM 0 HB3 HIS A 97 -5.255 8.730 -0.596 1.00 10.00 H new ATOM 0 HD1 HIS A 97 -6.400 9.500 -4.224 1.00 10.00 H new ATOM 0 HD2 HIS A 97 -2.968 8.742 -1.908 1.00 10.00 H new ATOM 0 HE1 HIS A 97 -4.370 10.003 -5.714 1.00 10.00 H new ATOM 320 N ILE A 98 -4.713 5.747 -0.405 1.00 10.00 N ATOM 321 CA ILE A 98 -4.031 5.388 0.834 1.00 10.00 C ATOM 322 C ILE A 98 -3.116 6.532 1.274 1.00 10.00 C ATOM 323 O ILE A 98 -2.692 7.364 0.470 1.00 10.00 O ATOM 324 CB ILE A 98 -3.180 4.119 0.670 1.00 10.00 C ATOM 325 CG1 ILE A 98 -2.302 4.183 -0.585 1.00 10.00 C ATOM 326 CG2 ILE A 98 -4.017 2.845 0.626 1.00 10.00 C ATOM 327 CD1 ILE A 98 -1.107 3.257 -0.417 1.00 10.00 C ATOM 0 H ILE A 98 -4.216 5.481 -1.255 1.00 10.00 H new ATOM 0 HA ILE A 98 -4.799 5.199 1.584 1.00 10.00 H new ATOM 0 HB ILE A 98 -2.546 4.081 1.556 1.00 10.00 H new ATOM 0 HG12 ILE A 98 -2.881 3.892 -1.462 1.00 10.00 H new ATOM 0 HG13 ILE A 98 -1.963 5.205 -0.752 1.00 10.00 H new ATOM 0 HG21 ILE A 98 -3.361 1.982 0.509 1.00 10.00 H new ATOM 0 HG22 ILE A 98 -4.582 2.748 1.553 1.00 10.00 H new ATOM 0 HG23 ILE A 98 -4.708 2.892 -0.216 1.00 10.00 H new ATOM 0 HD11 ILE A 98 -0.483 3.303 -1.310 1.00 10.00 H new ATOM 0 HD12 ILE A 98 -0.524 3.569 0.450 1.00 10.00 H new ATOM 0 HD13 ILE A 98 -1.456 2.235 -0.271 1.00 10.00 H new ATOM 339 N THR A 99 -2.735 6.499 2.549 1.00 10.00 N ATOM 340 CA THR A 99 -1.505 7.081 3.045 1.00 10.00 C ATOM 341 C THR A 99 -0.492 5.932 3.148 1.00 10.00 C ATOM 342 O THR A 99 -0.740 4.890 3.755 1.00 10.00 O ATOM 343 CB THR A 99 -1.815 7.959 4.273 1.00 10.00 C ATOM 344 OG1 THR A 99 -1.374 9.296 4.079 1.00 10.00 O ATOM 345 CG2 THR A 99 -1.188 7.384 5.518 1.00 10.00 C ATOM 0 H THR A 99 -3.292 6.054 3.278 1.00 10.00 H new ATOM 0 HA THR A 99 -1.017 7.806 2.394 1.00 10.00 H new ATOM 0 HB THR A 99 -2.898 7.971 4.399 1.00 10.00 H new ATOM 0 HG1 THR A 99 -1.586 9.829 4.874 1.00 10.00 H new ATOM 0 HG21 THR A 99 -1.421 8.022 6.371 1.00 10.00 H new ATOM 0 HG22 THR A 99 -1.582 6.383 5.695 1.00 10.00 H new ATOM 0 HG23 THR A 99 -0.107 7.331 5.390 1.00 10.00 H new ATOM 353 N VAL A 100 0.655 6.107 2.487 1.00 10.00 N ATOM 354 CA VAL A 100 1.753 5.152 2.441 1.00 10.00 C ATOM 355 C VAL A 100 2.111 4.657 3.845 1.00 10.00 C ATOM 356 O VAL A 100 2.515 3.510 4.042 1.00 10.00 O ATOM 357 CB VAL A 100 2.937 5.854 1.761 1.00 10.00 C ATOM 358 CG1 VAL A 100 4.227 5.050 1.842 1.00 10.00 C ATOM 359 CG2 VAL A 100 2.658 6.051 0.269 1.00 10.00 C ATOM 0 H VAL A 100 0.847 6.953 1.950 1.00 10.00 H new ATOM 0 HA VAL A 100 1.471 4.265 1.873 1.00 10.00 H new ATOM 0 HB VAL A 100 3.054 6.800 2.290 1.00 10.00 H new ATOM 0 HG11 VAL A 100 5.028 5.596 1.344 1.00 10.00 H new ATOM 0 HG12 VAL A 100 4.491 4.891 2.887 1.00 10.00 H new ATOM 0 HG13 VAL A 100 4.087 4.086 1.352 1.00 10.00 H new ATOM 0 HG21 VAL A 100 3.508 6.550 -0.197 1.00 10.00 H new ATOM 0 HG22 VAL A 100 2.503 5.081 -0.203 1.00 10.00 H new ATOM 0 HG23 VAL A 100 1.764 6.663 0.144 1.00 10.00 H new ATOM 369 N ASP A 101 1.978 5.535 4.838 1.00 10.00 N ATOM 370 CA ASP A 101 2.382 5.182 6.197 1.00 10.00 C ATOM 371 C ASP A 101 1.420 4.160 6.817 1.00 10.00 C ATOM 372 O ASP A 101 1.824 3.127 7.354 1.00 10.00 O ATOM 373 CB ASP A 101 2.593 6.435 7.050 1.00 10.00 C ATOM 374 CG ASP A 101 3.743 6.188 8.009 1.00 10.00 C ATOM 375 OD1 ASP A 101 4.891 6.456 7.581 1.00 10.00 O ATOM 376 OD2 ASP A 101 3.502 5.633 9.096 1.00 10.00 O ATOM 0 H ASP A 101 1.602 6.477 4.731 1.00 10.00 H new ATOM 0 HA ASP A 101 3.350 4.683 6.157 1.00 10.00 H new ATOM 0 HB2 ASP A 101 2.811 7.292 6.413 1.00 10.00 H new ATOM 0 HB3 ASP A 101 1.684 6.672 7.604 1.00 10.00 H new ATOM 381 N GLU A 102 0.122 4.411 6.656 1.00 10.00 N ATOM 382 CA GLU A 102 -0.939 3.460 6.956 1.00 10.00 C ATOM 383 C GLU A 102 -0.738 2.151 6.197 1.00 10.00 C ATOM 384 O GLU A 102 -0.927 1.067 6.744 1.00 10.00 O ATOM 385 CB GLU A 102 -2.270 4.087 6.582 1.00 10.00 C ATOM 386 CG GLU A 102 -2.703 5.187 7.563 1.00 10.00 C ATOM 387 CD GLU A 102 -3.953 5.912 7.073 1.00 10.00 C ATOM 388 OE1 GLU A 102 -4.039 6.133 5.845 1.00 10.00 O ATOM 389 OE2 GLU A 102 -4.802 6.220 7.935 1.00 10.00 O ATOM 0 H GLU A 102 -0.226 5.303 6.305 1.00 10.00 H new ATOM 0 HA GLU A 102 -0.921 3.226 8.020 1.00 10.00 H new ATOM 0 HB2 GLU A 102 -2.200 4.507 5.579 1.00 10.00 H new ATOM 0 HB3 GLU A 102 -3.036 3.312 6.550 1.00 10.00 H new ATOM 0 HG2 GLU A 102 -2.896 4.748 8.542 1.00 10.00 H new ATOM 0 HG3 GLU A 102 -1.891 5.904 7.689 1.00 10.00 H new ATOM 396 N LEU A 103 -0.332 2.235 4.934 1.00 10.00 N ATOM 397 CA LEU A 103 0.064 1.057 4.174 1.00 10.00 C ATOM 398 C LEU A 103 1.115 0.248 4.961 1.00 10.00 C ATOM 399 O LEU A 103 1.014 -0.969 5.097 1.00 10.00 O ATOM 400 CB LEU A 103 0.602 1.518 2.815 1.00 10.00 C ATOM 401 CG LEU A 103 0.148 0.701 1.605 1.00 10.00 C ATOM 402 CD1 LEU A 103 1.046 1.175 0.446 1.00 10.00 C ATOM 403 CD2 LEU A 103 0.386 -0.794 1.807 1.00 10.00 C ATOM 0 H LEU A 103 -0.269 3.111 4.415 1.00 10.00 H new ATOM 0 HA LEU A 103 -0.790 0.400 4.011 1.00 10.00 H new ATOM 0 HB2 LEU A 103 0.304 2.555 2.661 1.00 10.00 H new ATOM 0 HB3 LEU A 103 1.691 1.501 2.852 1.00 10.00 H new ATOM 0 HG LEU A 103 -0.918 0.842 1.428 1.00 10.00 H new ATOM 0 HD11 LEU A 103 0.782 0.634 -0.463 1.00 10.00 H new ATOM 0 HD12 LEU A 103 0.902 2.244 0.287 1.00 10.00 H new ATOM 0 HD13 LEU A 103 2.090 0.983 0.693 1.00 10.00 H new ATOM 0 HD21 LEU A 103 0.050 -1.338 0.925 1.00 10.00 H new ATOM 0 HD22 LEU A 103 1.450 -0.975 1.962 1.00 10.00 H new ATOM 0 HD23 LEU A 103 -0.171 -1.137 2.679 1.00 10.00 H new ATOM 415 N ARG A 104 2.120 0.931 5.517 1.00 10.00 N ATOM 416 CA ARG A 104 3.147 0.301 6.341 1.00 10.00 C ATOM 417 C ARG A 104 2.561 -0.301 7.622 1.00 10.00 C ATOM 418 O ARG A 104 2.925 -1.415 7.991 1.00 10.00 O ATOM 419 CB ARG A 104 4.268 1.302 6.641 1.00 10.00 C ATOM 420 CG ARG A 104 5.614 0.602 6.907 1.00 10.00 C ATOM 421 CD ARG A 104 6.758 1.602 7.139 1.00 10.00 C ATOM 422 NE ARG A 104 6.664 2.768 6.235 1.00 10.00 N ATOM 423 CZ ARG A 104 6.363 4.019 6.627 1.00 10.00 C ATOM 424 NH1 ARG A 104 6.434 4.388 7.907 1.00 10.00 N ATOM 425 NH2 ARG A 104 5.939 4.923 5.744 1.00 10.00 N ATOM 0 H ARG A 104 2.241 1.938 5.406 1.00 10.00 H new ATOM 0 HA ARG A 104 3.573 -0.530 5.779 1.00 10.00 H new ATOM 0 HB2 ARG A 104 4.376 1.987 5.800 1.00 10.00 H new ATOM 0 HB3 ARG A 104 3.995 1.903 7.509 1.00 10.00 H new ATOM 0 HG2 ARG A 104 5.518 -0.045 7.779 1.00 10.00 H new ATOM 0 HG3 ARG A 104 5.861 -0.039 6.060 1.00 10.00 H new ATOM 0 HD2 ARG A 104 6.738 1.943 8.174 1.00 10.00 H new ATOM 0 HD3 ARG A 104 7.714 1.101 6.987 1.00 10.00 H new ATOM 0 HE ARG A 104 6.840 2.613 5.242 1.00 10.00 H new ATOM 0 HH11 ARG A 104 6.722 3.715 8.617 1.00 10.00 H new ATOM 0 HH12 ARG A 104 6.200 5.344 8.176 1.00 10.00 H new ATOM 0 HH21 ARG A 104 5.840 4.669 4.761 1.00 10.00 H new ATOM 0 HH22 ARG A 104 5.713 5.869 6.051 1.00 10.00 H new ATOM 439 N ARG A 105 1.655 0.413 8.301 1.00 10.00 N ATOM 440 CA ARG A 105 0.910 -0.156 9.425 1.00 10.00 C ATOM 441 C ARG A 105 0.252 -1.478 9.009 1.00 10.00 C ATOM 442 O ARG A 105 0.398 -2.487 9.695 1.00 10.00 O ATOM 443 CB ARG A 105 -0.175 0.810 9.924 1.00 10.00 C ATOM 444 CG ARG A 105 0.328 1.967 10.794 1.00 10.00 C ATOM 445 CD ARG A 105 0.500 1.537 12.258 1.00 10.00 C ATOM 446 NE ARG A 105 0.412 2.704 13.153 1.00 10.00 N ATOM 447 CZ ARG A 105 -0.156 2.716 14.372 1.00 10.00 C ATOM 448 NH1 ARG A 105 -0.503 1.569 14.969 1.00 10.00 N ATOM 449 NH2 ARG A 105 -0.381 3.881 14.991 1.00 10.00 N ATOM 0 H ARG A 105 1.422 1.383 8.090 1.00 10.00 H new ATOM 0 HA ARG A 105 1.619 -0.333 10.234 1.00 10.00 H new ATOM 0 HB2 ARG A 105 -0.693 1.226 9.060 1.00 10.00 H new ATOM 0 HB3 ARG A 105 -0.910 0.242 10.494 1.00 10.00 H new ATOM 0 HG2 ARG A 105 1.280 2.328 10.406 1.00 10.00 H new ATOM 0 HG3 ARG A 105 -0.375 2.798 10.738 1.00 10.00 H new ATOM 0 HD2 ARG A 105 -0.268 0.810 12.522 1.00 10.00 H new ATOM 0 HD3 ARG A 105 1.463 1.044 12.387 1.00 10.00 H new ATOM 0 HE ARG A 105 0.817 3.579 12.819 1.00 10.00 H new ATOM 0 HH11 ARG A 105 -0.337 0.679 14.499 1.00 10.00 H new ATOM 0 HH12 ARG A 105 -0.933 1.585 15.894 1.00 10.00 H new ATOM 0 HH21 ARG A 105 -0.122 4.757 14.538 1.00 10.00 H new ATOM 0 HH22 ARG A 105 -0.812 3.892 15.916 1.00 10.00 H new ATOM 463 N ALA A 106 -0.489 -1.461 7.897 1.00 10.00 N ATOM 464 CA ALA A 106 -1.297 -2.581 7.428 1.00 10.00 C ATOM 465 C ALA A 106 -0.518 -3.896 7.387 1.00 10.00 C ATOM 466 O ALA A 106 -1.043 -4.942 7.764 1.00 10.00 O ATOM 467 CB ALA A 106 -1.868 -2.262 6.050 1.00 10.00 C ATOM 0 H ALA A 106 -0.542 -0.646 7.286 1.00 10.00 H new ATOM 0 HA ALA A 106 -2.107 -2.719 8.144 1.00 10.00 H new ATOM 0 HB1 ALA A 106 -2.471 -3.101 5.703 1.00 10.00 H new ATOM 0 HB2 ALA A 106 -2.490 -1.369 6.112 1.00 10.00 H new ATOM 0 HB3 ALA A 106 -1.051 -2.088 5.349 1.00 10.00 H new ATOM 473 N MET A 107 0.744 -3.843 6.953 1.00 10.00 N ATOM 474 CA MET A 107 1.634 -4.998 6.901 1.00 10.00 C ATOM 475 C MET A 107 1.701 -5.771 8.231 1.00 10.00 C ATOM 476 O MET A 107 1.899 -6.990 8.241 1.00 10.00 O ATOM 477 CB MET A 107 3.024 -4.526 6.485 1.00 10.00 C ATOM 478 CG MET A 107 3.101 -4.095 5.018 1.00 10.00 C ATOM 479 SD MET A 107 3.230 -5.479 3.859 1.00 10.00 S ATOM 480 CE MET A 107 3.792 -4.575 2.409 1.00 10.00 C ATOM 0 H MET A 107 1.180 -2.982 6.624 1.00 10.00 H new ATOM 0 HA MET A 107 1.231 -5.698 6.169 1.00 10.00 H new ATOM 0 HB2 MET A 107 3.321 -3.690 7.118 1.00 10.00 H new ATOM 0 HB3 MET A 107 3.740 -5.329 6.659 1.00 10.00 H new ATOM 0 HG2 MET A 107 2.215 -3.509 4.774 1.00 10.00 H new ATOM 0 HG3 MET A 107 3.962 -3.440 4.886 1.00 10.00 H new ATOM 0 HE1 MET A 107 3.930 -5.268 1.579 1.00 10.00 H new ATOM 0 HE2 MET A 107 3.049 -3.826 2.137 1.00 10.00 H new ATOM 0 HE3 MET A 107 4.739 -4.083 2.631 1.00 10.00 H new ATOM 490 N ALA A 108 1.511 -5.086 9.362 1.00 10.00 N ATOM 491 CA ALA A 108 1.425 -5.737 10.663 1.00 10.00 C ATOM 492 C ALA A 108 0.302 -6.773 10.704 1.00 10.00 C ATOM 493 O ALA A 108 0.462 -7.833 11.303 1.00 10.00 O ATOM 494 CB ALA A 108 1.245 -4.683 11.755 1.00 10.00 C ATOM 0 H ALA A 108 1.414 -4.071 9.397 1.00 10.00 H new ATOM 0 HA ALA A 108 2.356 -6.275 10.841 1.00 10.00 H new ATOM 0 HB1 ALA A 108 1.181 -5.173 12.727 1.00 10.00 H new ATOM 0 HB2 ALA A 108 2.096 -4.002 11.747 1.00 10.00 H new ATOM 0 HB3 ALA A 108 0.329 -4.121 11.571 1.00 10.00 H new ATOM 500 N GLY A 109 -0.824 -6.482 10.047 1.00 10.00 N ATOM 501 CA GLY A 109 -1.928 -7.417 9.920 1.00 10.00 C ATOM 502 C GLY A 109 -1.530 -8.642 9.096 1.00 10.00 C ATOM 503 O GLY A 109 -2.047 -9.731 9.327 1.00 10.00 O ATOM 0 H GLY A 109 -0.989 -5.586 9.589 1.00 10.00 H new ATOM 0 HA2 GLY A 109 -2.254 -7.733 10.911 1.00 10.00 H new ATOM 0 HA3 GLY A 109 -2.776 -6.920 9.449 1.00 10.00 H new ATOM 507 N LEU A 110 -0.625 -8.467 8.126 1.00 10.00 N ATOM 508 CA LEU A 110 -0.196 -9.544 7.248 1.00 10.00 C ATOM 509 C LEU A 110 0.754 -10.497 7.960 1.00 10.00 C ATOM 510 O LEU A 110 0.571 -11.710 7.895 1.00 10.00 O ATOM 511 CB LEU A 110 0.467 -8.976 5.985 1.00 10.00 C ATOM 512 CG LEU A 110 -0.557 -8.415 4.987 1.00 10.00 C ATOM 513 CD1 LEU A 110 0.187 -7.727 3.838 1.00 10.00 C ATOM 514 CD2 LEU A 110 -1.438 -9.526 4.399 1.00 10.00 C ATOM 0 H LEU A 110 -0.174 -7.573 7.934 1.00 10.00 H new ATOM 0 HA LEU A 110 -1.082 -10.108 6.958 1.00 10.00 H new ATOM 0 HB2 LEU A 110 1.164 -8.187 6.268 1.00 10.00 H new ATOM 0 HB3 LEU A 110 1.051 -9.759 5.501 1.00 10.00 H new ATOM 0 HG LEU A 110 -1.195 -7.710 5.520 1.00 10.00 H new ATOM 0 HD11 LEU A 110 -0.534 -7.326 3.126 1.00 10.00 H new ATOM 0 HD12 LEU A 110 0.796 -6.914 4.234 1.00 10.00 H new ATOM 0 HD13 LEU A 110 0.829 -8.450 3.336 1.00 10.00 H new ATOM 0 HD21 LEU A 110 -2.150 -9.092 3.697 1.00 10.00 H new ATOM 0 HD22 LEU A 110 -0.811 -10.250 3.879 1.00 10.00 H new ATOM 0 HD23 LEU A 110 -1.979 -10.025 5.203 1.00 10.00 H new ATOM 526 N GLY A 111 1.786 -9.954 8.610 1.00 10.00 N ATOM 527 CA GLY A 111 2.780 -10.762 9.293 1.00 10.00 C ATOM 528 C GLY A 111 4.208 -10.278 9.072 1.00 10.00 C ATOM 529 O GLY A 111 5.126 -10.811 9.691 1.00 10.00 O ATOM 0 H GLY A 111 1.949 -8.949 8.673 1.00 10.00 H new ATOM 0 HA2 GLY A 111 2.565 -10.762 10.362 1.00 10.00 H new ATOM 0 HA3 GLY A 111 2.697 -11.794 8.951 1.00 10.00 H new ATOM 533 N GLN A 112 4.411 -9.259 8.230 1.00 10.00 N ATOM 534 CA GLN A 112 5.698 -8.593 8.089 1.00 10.00 C ATOM 535 C GLN A 112 5.587 -7.206 8.731 1.00 10.00 C ATOM 536 O GLN A 112 5.518 -6.218 8.009 1.00 10.00 O ATOM 537 CB GLN A 112 6.082 -8.486 6.603 1.00 10.00 C ATOM 538 CG GLN A 112 5.880 -9.779 5.811 1.00 10.00 C ATOM 539 CD GLN A 112 6.605 -9.712 4.469 1.00 10.00 C ATOM 540 OE1 GLN A 112 7.487 -10.518 4.193 1.00 10.00 O ATOM 541 NE2 GLN A 112 6.257 -8.740 3.630 1.00 10.00 N ATOM 0 H GLN A 112 3.682 -8.876 7.628 1.00 10.00 H new ATOM 0 HA GLN A 112 6.480 -9.166 8.587 1.00 10.00 H new ATOM 0 HB2 GLN A 112 5.491 -7.694 6.142 1.00 10.00 H new ATOM 0 HB3 GLN A 112 7.128 -8.187 6.530 1.00 10.00 H new ATOM 0 HG2 GLN A 112 6.251 -10.626 6.388 1.00 10.00 H new ATOM 0 HG3 GLN A 112 4.816 -9.947 5.646 1.00 10.00 H new ATOM 0 HE21 GLN A 112 5.519 -8.084 3.887 1.00 10.00 H new ATOM 0 HE22 GLN A 112 6.728 -8.651 2.730 1.00 10.00 H new ATOM 550 N PRO A 113 5.512 -7.077 10.064 1.00 10.00 N ATOM 551 CA PRO A 113 5.228 -5.792 10.673 1.00 10.00 C ATOM 552 C PRO A 113 6.373 -4.809 10.409 1.00 10.00 C ATOM 553 O PRO A 113 7.514 -5.088 10.767 1.00 10.00 O ATOM 554 CB PRO A 113 5.060 -6.075 12.172 1.00 10.00 C ATOM 555 CG PRO A 113 5.885 -7.345 12.385 1.00 10.00 C ATOM 556 CD PRO A 113 5.668 -8.106 11.078 1.00 10.00 C ATOM 0 HA PRO A 113 4.331 -5.331 10.259 1.00 10.00 H new ATOM 0 HB2 PRO A 113 5.428 -5.249 12.781 1.00 10.00 H new ATOM 0 HB3 PRO A 113 4.014 -6.226 12.438 1.00 10.00 H new ATOM 0 HG2 PRO A 113 6.938 -7.121 12.553 1.00 10.00 H new ATOM 0 HG3 PRO A 113 5.538 -7.914 13.248 1.00 10.00 H new ATOM 0 HD2 PRO A 113 6.515 -8.755 10.854 1.00 10.00 H new ATOM 0 HD3 PRO A 113 4.785 -8.742 11.134 1.00 10.00 H new ATOM 564 N LEU A 114 6.065 -3.665 9.788 1.00 10.00 N ATOM 565 CA LEU A 114 7.027 -2.608 9.476 1.00 10.00 C ATOM 566 C LEU A 114 8.145 -3.171 8.581 1.00 10.00 C ATOM 567 O LEU A 114 9.322 -3.135 8.945 1.00 10.00 O ATOM 568 CB LEU A 114 7.580 -1.954 10.764 1.00 10.00 C ATOM 569 CG LEU A 114 6.638 -0.993 11.514 1.00 10.00 C ATOM 570 CD1 LEU A 114 6.475 0.339 10.777 1.00 10.00 C ATOM 571 CD2 LEU A 114 5.257 -1.585 11.818 1.00 10.00 C ATOM 0 H LEU A 114 5.117 -3.446 9.482 1.00 10.00 H new ATOM 0 HA LEU A 114 6.520 -1.817 8.924 1.00 10.00 H new ATOM 0 HB2 LEU A 114 7.871 -2.749 11.451 1.00 10.00 H new ATOM 0 HB3 LEU A 114 8.487 -1.408 10.505 1.00 10.00 H new ATOM 0 HG LEU A 114 7.130 -0.819 12.471 1.00 10.00 H new ATOM 0 HD11 LEU A 114 5.803 0.987 11.340 1.00 10.00 H new ATOM 0 HD12 LEU A 114 7.447 0.822 10.679 1.00 10.00 H new ATOM 0 HD13 LEU A 114 6.059 0.158 9.786 1.00 10.00 H new ATOM 0 HD21 LEU A 114 4.653 -0.847 12.347 1.00 10.00 H new ATOM 0 HD22 LEU A 114 4.764 -1.856 10.884 1.00 10.00 H new ATOM 0 HD23 LEU A 114 5.371 -2.474 12.439 1.00 10.00 H new ATOM 583 N PRO A 115 7.809 -3.681 7.386 1.00 10.00 N ATOM 584 CA PRO A 115 8.766 -4.367 6.545 1.00 10.00 C ATOM 585 C PRO A 115 9.514 -3.326 5.735 1.00 10.00 C ATOM 586 O PRO A 115 9.219 -3.122 4.559 1.00 10.00 O ATOM 587 CB PRO A 115 7.920 -5.267 5.662 1.00 10.00 C ATOM 588 CG PRO A 115 6.626 -4.474 5.465 1.00 10.00 C ATOM 589 CD PRO A 115 6.521 -3.589 6.712 1.00 10.00 C ATOM 0 HA PRO A 115 9.508 -4.948 7.092 1.00 10.00 H new ATOM 0 HB2 PRO A 115 8.412 -5.472 4.711 1.00 10.00 H new ATOM 0 HB3 PRO A 115 7.731 -6.230 6.137 1.00 10.00 H new ATOM 0 HG2 PRO A 115 6.663 -3.874 4.555 1.00 10.00 H new ATOM 0 HG3 PRO A 115 5.765 -5.136 5.375 1.00 10.00 H new ATOM 0 HD2 PRO A 115 6.297 -2.558 6.439 1.00 10.00 H new ATOM 0 HD3 PRO A 115 5.716 -3.928 7.363 1.00 10.00 H new ATOM 597 N GLN A 116 10.447 -2.638 6.394 1.00 10.00 N ATOM 598 CA GLN A 116 11.038 -1.425 5.857 1.00 10.00 C ATOM 599 C GLN A 116 11.457 -1.555 4.392 1.00 10.00 C ATOM 600 O GLN A 116 11.165 -0.638 3.642 1.00 10.00 O ATOM 601 CB GLN A 116 12.166 -0.886 6.753 1.00 10.00 C ATOM 602 CG GLN A 116 11.793 0.446 7.429 1.00 10.00 C ATOM 603 CD GLN A 116 11.913 1.683 6.531 1.00 10.00 C ATOM 604 OE1 GLN A 116 12.431 2.704 6.972 1.00 10.00 O ATOM 605 NE2 GLN A 116 11.427 1.624 5.297 1.00 10.00 N ATOM 0 H GLN A 116 10.808 -2.909 7.309 1.00 10.00 H new ATOM 0 HA GLN A 116 10.247 -0.675 5.864 1.00 10.00 H new ATOM 0 HB2 GLN A 116 12.403 -1.625 7.518 1.00 10.00 H new ATOM 0 HB3 GLN A 116 13.067 -0.747 6.155 1.00 10.00 H new ATOM 0 HG2 GLN A 116 10.768 0.377 7.792 1.00 10.00 H new ATOM 0 HG3 GLN A 116 12.432 0.585 8.301 1.00 10.00 H new ATOM 0 HE21 GLN A 116 11.002 0.761 4.957 1.00 10.00 H new ATOM 0 HE22 GLN A 116 11.479 2.441 4.689 1.00 10.00 H new ATOM 614 N GLU A 117 12.064 -2.666 3.964 1.00 10.00 N ATOM 615 CA GLU A 117 12.485 -2.830 2.569 1.00 10.00 C ATOM 616 C GLU A 117 11.308 -2.981 1.633 1.00 10.00 C ATOM 617 O GLU A 117 11.314 -2.442 0.529 1.00 10.00 O ATOM 618 CB GLU A 117 13.399 -4.043 2.415 1.00 10.00 C ATOM 619 CG GLU A 117 14.597 -3.880 3.339 1.00 10.00 C ATOM 620 CD GLU A 117 15.814 -4.614 2.793 1.00 10.00 C ATOM 621 OE1 GLU A 117 15.875 -5.843 3.007 1.00 10.00 O ATOM 622 OE2 GLU A 117 16.642 -3.937 2.147 1.00 10.00 O ATOM 0 H GLU A 117 12.275 -3.464 4.563 1.00 10.00 H new ATOM 0 HA GLU A 117 13.027 -1.923 2.301 1.00 10.00 H new ATOM 0 HB2 GLU A 117 12.857 -4.957 2.659 1.00 10.00 H new ATOM 0 HB3 GLU A 117 13.731 -4.136 1.381 1.00 10.00 H new ATOM 0 HG2 GLU A 117 14.829 -2.821 3.456 1.00 10.00 H new ATOM 0 HG3 GLU A 117 14.351 -4.263 4.329 1.00 10.00 H new ATOM 629 N GLU A 118 10.308 -3.741 2.062 1.00 10.00 N ATOM 630 CA GLU A 118 9.173 -4.028 1.218 1.00 10.00 C ATOM 631 C GLU A 118 8.437 -2.709 1.037 1.00 10.00 C ATOM 632 O GLU A 118 8.237 -2.231 -0.077 1.00 10.00 O ATOM 633 CB GLU A 118 8.346 -5.145 1.872 1.00 10.00 C ATOM 634 CG GLU A 118 8.007 -6.234 0.856 1.00 10.00 C ATOM 635 CD GLU A 118 6.999 -5.768 -0.190 1.00 10.00 C ATOM 636 OE1 GLU A 118 6.192 -4.874 0.148 1.00 10.00 O ATOM 637 OE2 GLU A 118 7.045 -6.327 -1.305 1.00 10.00 O ATOM 0 H GLU A 118 10.267 -4.165 2.989 1.00 10.00 H new ATOM 0 HA GLU A 118 9.435 -4.404 0.229 1.00 10.00 H new ATOM 0 HB2 GLU A 118 8.903 -5.577 2.703 1.00 10.00 H new ATOM 0 HB3 GLU A 118 7.428 -4.729 2.286 1.00 10.00 H new ATOM 0 HG2 GLU A 118 8.920 -6.556 0.356 1.00 10.00 H new ATOM 0 HG3 GLU A 118 7.607 -7.102 1.380 1.00 10.00 H new ATOM 644 N LEU A 119 8.143 -2.044 2.154 1.00 10.00 N ATOM 645 CA LEU A 119 7.492 -0.756 2.078 1.00 10.00 C ATOM 646 C LEU A 119 8.381 0.318 1.448 1.00 10.00 C ATOM 647 O LEU A 119 7.830 1.190 0.805 1.00 10.00 O ATOM 648 CB LEU A 119 6.880 -0.343 3.417 1.00 10.00 C ATOM 649 CG LEU A 119 5.412 0.124 3.278 1.00 10.00 C ATOM 650 CD1 LEU A 119 5.201 1.356 2.400 1.00 10.00 C ATOM 651 CD2 LEU A 119 4.459 -1.001 2.863 1.00 10.00 C ATOM 0 H LEU A 119 8.344 -2.374 3.098 1.00 10.00 H new ATOM 0 HA LEU A 119 6.652 -0.864 1.391 1.00 10.00 H new ATOM 0 HB2 LEU A 119 6.926 -1.184 4.109 1.00 10.00 H new ATOM 0 HB3 LEU A 119 7.474 0.461 3.852 1.00 10.00 H new ATOM 0 HG LEU A 119 5.159 0.432 4.292 1.00 10.00 H new ATOM 0 HD11 LEU A 119 4.140 1.602 2.367 1.00 10.00 H new ATOM 0 HD12 LEU A 119 5.756 2.198 2.815 1.00 10.00 H new ATOM 0 HD13 LEU A 119 5.557 1.149 1.391 1.00 10.00 H new ATOM 0 HD21 LEU A 119 3.445 -0.608 2.783 1.00 10.00 H new ATOM 0 HD22 LEU A 119 4.769 -1.404 1.899 1.00 10.00 H new ATOM 0 HD23 LEU A 119 4.483 -1.793 3.612 1.00 10.00 H new ATOM 663 N ASP A 120 9.712 0.296 1.582 1.00 10.00 N ATOM 664 CA ASP A 120 10.614 1.214 0.874 1.00 10.00 C ATOM 665 C ASP A 120 10.461 1.017 -0.632 1.00 10.00 C ATOM 666 O ASP A 120 10.279 1.965 -1.399 1.00 10.00 O ATOM 667 CB ASP A 120 12.094 1.018 1.246 1.00 10.00 C ATOM 668 CG ASP A 120 12.569 1.785 2.478 1.00 10.00 C ATOM 669 OD1 ASP A 120 11.853 2.709 2.932 1.00 10.00 O ATOM 670 OD2 ASP A 120 13.673 1.445 2.950 1.00 10.00 O ATOM 0 H ASP A 120 10.198 -0.364 2.189 1.00 10.00 H new ATOM 0 HA ASP A 120 10.331 2.223 1.175 1.00 10.00 H new ATOM 0 HB2 ASP A 120 12.272 -0.045 1.410 1.00 10.00 H new ATOM 0 HB3 ASP A 120 12.707 1.316 0.395 1.00 10.00 H new ATOM 675 N ALA A 121 10.550 -0.240 -1.058 1.00 10.00 N ATOM 676 CA ALA A 121 10.398 -0.629 -2.443 1.00 10.00 C ATOM 677 C ALA A 121 9.056 -0.109 -2.974 1.00 10.00 C ATOM 678 O ALA A 121 9.007 0.614 -3.971 1.00 10.00 O ATOM 679 CB ALA A 121 10.560 -2.150 -2.528 1.00 10.00 C ATOM 0 H ALA A 121 10.733 -1.025 -0.433 1.00 10.00 H new ATOM 0 HA ALA A 121 11.162 -0.186 -3.082 1.00 10.00 H new ATOM 0 HB1 ALA A 121 10.450 -2.470 -3.564 1.00 10.00 H new ATOM 0 HB2 ALA A 121 11.548 -2.432 -2.164 1.00 10.00 H new ATOM 0 HB3 ALA A 121 9.797 -2.632 -1.916 1.00 10.00 H new ATOM 685 N MET A 122 7.967 -0.409 -2.260 1.00 10.00 N ATOM 686 CA MET A 122 6.649 0.081 -2.585 1.00 10.00 C ATOM 687 C MET A 122 6.570 1.610 -2.498 1.00 10.00 C ATOM 688 O MET A 122 5.934 2.212 -3.350 1.00 10.00 O ATOM 689 CB MET A 122 5.641 -0.600 -1.658 1.00 10.00 C ATOM 690 CG MET A 122 5.541 -2.118 -1.891 1.00 10.00 C ATOM 691 SD MET A 122 5.183 -2.672 -3.579 1.00 10.00 S ATOM 692 CE MET A 122 5.595 -4.420 -3.408 1.00 10.00 C ATOM 0 H MET A 122 7.989 -1.006 -1.433 1.00 10.00 H new ATOM 0 HA MET A 122 6.413 -0.166 -3.620 1.00 10.00 H new ATOM 0 HB2 MET A 122 5.925 -0.415 -0.622 1.00 10.00 H new ATOM 0 HB3 MET A 122 4.659 -0.150 -1.804 1.00 10.00 H new ATOM 0 HG2 MET A 122 6.482 -2.571 -1.579 1.00 10.00 H new ATOM 0 HG3 MET A 122 4.765 -2.511 -1.234 1.00 10.00 H new ATOM 0 HE1 MET A 122 5.434 -4.927 -4.360 1.00 10.00 H new ATOM 0 HE2 MET A 122 6.640 -4.521 -3.116 1.00 10.00 H new ATOM 0 HE3 MET A 122 4.960 -4.870 -2.645 1.00 10.00 H new ATOM 702 N ILE A 123 7.206 2.242 -1.507 1.00 10.00 N ATOM 703 CA ILE A 123 7.261 3.692 -1.303 1.00 10.00 C ATOM 704 C ILE A 123 7.753 4.318 -2.603 1.00 10.00 C ATOM 705 O ILE A 123 7.130 5.234 -3.132 1.00 10.00 O ATOM 706 CB ILE A 123 8.176 4.075 -0.103 1.00 10.00 C ATOM 707 CG1 ILE A 123 7.387 4.161 1.212 1.00 10.00 C ATOM 708 CG2 ILE A 123 8.894 5.425 -0.288 1.00 10.00 C ATOM 709 CD1 ILE A 123 8.222 3.899 2.474 1.00 10.00 C ATOM 0 H ILE A 123 7.722 1.731 -0.790 1.00 10.00 H new ATOM 0 HA ILE A 123 6.270 4.070 -1.052 1.00 10.00 H new ATOM 0 HB ILE A 123 8.916 3.276 -0.063 1.00 10.00 H new ATOM 0 HG12 ILE A 123 6.938 5.152 1.288 1.00 10.00 H new ATOM 0 HG13 ILE A 123 6.568 3.442 1.178 1.00 10.00 H new ATOM 0 HG21 ILE A 123 9.514 5.630 0.585 1.00 10.00 H new ATOM 0 HG22 ILE A 123 9.522 5.384 -1.178 1.00 10.00 H new ATOM 0 HG23 ILE A 123 8.155 6.218 -0.402 1.00 10.00 H new ATOM 0 HD11 ILE A 123 7.585 3.980 3.355 1.00 10.00 H new ATOM 0 HD12 ILE A 123 8.649 2.897 2.426 1.00 10.00 H new ATOM 0 HD13 ILE A 123 9.025 4.633 2.538 1.00 10.00 H new ATOM 721 N ARG A 124 8.879 3.805 -3.106 1.00 10.00 N ATOM 722 CA ARG A 124 9.517 4.311 -4.310 1.00 10.00 C ATOM 723 C ARG A 124 8.538 4.287 -5.486 1.00 10.00 C ATOM 724 O ARG A 124 8.432 5.258 -6.229 1.00 10.00 O ATOM 725 CB ARG A 124 10.763 3.472 -4.617 1.00 10.00 C ATOM 726 CG ARG A 124 11.850 4.332 -5.268 1.00 10.00 C ATOM 727 CD ARG A 124 12.893 3.424 -5.926 1.00 10.00 C ATOM 728 NE ARG A 124 14.180 4.117 -6.087 1.00 10.00 N ATOM 729 CZ ARG A 124 15.216 3.651 -6.802 1.00 10.00 C ATOM 730 NH1 ARG A 124 15.068 2.557 -7.557 1.00 10.00 N ATOM 731 NH2 ARG A 124 16.398 4.278 -6.750 1.00 10.00 N ATOM 0 H ARG A 124 9.373 3.020 -2.681 1.00 10.00 H new ATOM 0 HA ARG A 124 9.819 5.346 -4.151 1.00 10.00 H new ATOM 0 HB2 ARG A 124 11.145 3.030 -3.697 1.00 10.00 H new ATOM 0 HB3 ARG A 124 10.498 2.649 -5.280 1.00 10.00 H new ATOM 0 HG2 ARG A 124 11.408 4.994 -6.012 1.00 10.00 H new ATOM 0 HG3 ARG A 124 12.325 4.966 -4.519 1.00 10.00 H new ATOM 0 HD2 ARG A 124 13.033 2.529 -5.320 1.00 10.00 H new ATOM 0 HD3 ARG A 124 12.530 3.096 -6.900 1.00 10.00 H new ATOM 0 HE ARG A 124 14.294 5.017 -5.621 1.00 10.00 H new ATOM 0 HH11 ARG A 124 14.168 2.077 -7.589 1.00 10.00 H new ATOM 0 HH12 ARG A 124 15.855 2.202 -8.101 1.00 10.00 H new ATOM 0 HH21 ARG A 124 16.510 5.108 -6.168 1.00 10.00 H new ATOM 0 HH22 ARG A 124 17.187 3.926 -7.293 1.00 10.00 H new ATOM 745 N GLU A 125 7.842 3.160 -5.649 1.00 10.00 N ATOM 746 CA GLU A 125 6.863 2.971 -6.711 1.00 10.00 C ATOM 747 C GLU A 125 5.641 3.876 -6.478 1.00 10.00 C ATOM 748 O GLU A 125 5.056 4.424 -7.412 1.00 10.00 O ATOM 749 CB GLU A 125 6.472 1.484 -6.750 1.00 10.00 C ATOM 750 CG GLU A 125 6.004 1.017 -8.137 1.00 10.00 C ATOM 751 CD GLU A 125 7.157 0.579 -9.039 1.00 10.00 C ATOM 752 OE1 GLU A 125 8.218 1.237 -8.991 1.00 10.00 O ATOM 753 OE2 GLU A 125 6.962 -0.429 -9.754 1.00 10.00 O ATOM 0 H GLU A 125 7.946 2.348 -5.040 1.00 10.00 H new ATOM 0 HA GLU A 125 7.287 3.251 -7.675 1.00 10.00 H new ATOM 0 HB2 GLU A 125 7.326 0.882 -6.440 1.00 10.00 H new ATOM 0 HB3 GLU A 125 5.677 1.305 -6.026 1.00 10.00 H new ATOM 0 HG2 GLU A 125 5.307 0.188 -8.019 1.00 10.00 H new ATOM 0 HG3 GLU A 125 5.458 1.826 -8.622 1.00 10.00 H new ATOM 760 N ALA A 126 5.236 4.023 -5.213 1.00 10.00 N ATOM 761 CA ALA A 126 3.984 4.615 -4.769 1.00 10.00 C ATOM 762 C ALA A 126 4.001 6.146 -4.812 1.00 10.00 C ATOM 763 O ALA A 126 3.513 6.791 -3.881 1.00 10.00 O ATOM 764 CB ALA A 126 3.682 4.128 -3.344 1.00 10.00 C ATOM 0 H ALA A 126 5.812 3.712 -4.431 1.00 10.00 H new ATOM 0 HA ALA A 126 3.202 4.296 -5.458 1.00 10.00 H new ATOM 0 HB1 ALA A 126 2.745 4.566 -3.001 1.00 10.00 H new ATOM 0 HB2 ALA A 126 3.597 3.041 -3.341 1.00 10.00 H new ATOM 0 HB3 ALA A 126 4.489 4.431 -2.677 1.00 10.00 H new ATOM 770 N ASP A 127 4.496 6.730 -5.904 1.00 10.00 N ATOM 771 CA ASP A 127 4.413 8.162 -6.140 1.00 10.00 C ATOM 772 C ASP A 127 3.478 8.409 -7.318 1.00 10.00 C ATOM 773 O ASP A 127 3.912 8.694 -8.432 1.00 10.00 O ATOM 774 CB ASP A 127 5.806 8.753 -6.370 1.00 10.00 C ATOM 775 CG ASP A 127 5.732 10.269 -6.452 1.00 10.00 C ATOM 776 OD1 ASP A 127 4.745 10.815 -5.910 1.00 10.00 O ATOM 777 OD2 ASP A 127 6.670 10.866 -7.019 1.00 10.00 O ATOM 0 H ASP A 127 4.966 6.216 -6.649 1.00 10.00 H new ATOM 0 HA ASP A 127 4.005 8.665 -5.263 1.00 10.00 H new ATOM 0 HB2 ASP A 127 6.471 8.458 -5.558 1.00 10.00 H new ATOM 0 HB3 ASP A 127 6.230 8.353 -7.291 1.00 10.00 H new ATOM 782 N VAL A 128 2.178 8.232 -7.078 1.00 10.00 N ATOM 783 CA VAL A 128 1.166 8.427 -8.110 1.00 10.00 C ATOM 784 C VAL A 128 0.922 9.924 -8.294 1.00 10.00 C ATOM 785 O VAL A 128 0.825 10.386 -9.429 1.00 10.00 O ATOM 786 CB VAL A 128 -0.108 7.634 -7.773 1.00 10.00 C ATOM 787 CG1 VAL A 128 -1.263 7.953 -8.731 1.00 10.00 C ATOM 788 CG2 VAL A 128 0.182 6.128 -7.845 1.00 10.00 C ATOM 0 H VAL A 128 1.802 7.952 -6.172 1.00 10.00 H new ATOM 0 HA VAL A 128 1.515 8.035 -9.066 1.00 10.00 H new ATOM 0 HB VAL A 128 -0.407 7.925 -6.766 1.00 10.00 H new ATOM 0 HG11 VAL A 128 -2.139 7.368 -8.452 1.00 10.00 H new ATOM 0 HG12 VAL A 128 -1.501 9.015 -8.673 1.00 10.00 H new ATOM 0 HG13 VAL A 128 -0.970 7.703 -9.751 1.00 10.00 H new ATOM 0 HG21 VAL A 128 -0.724 5.571 -7.605 1.00 10.00 H new ATOM 0 HG22 VAL A 128 0.512 5.869 -8.851 1.00 10.00 H new ATOM 0 HG23 VAL A 128 0.964 5.873 -7.130 1.00 10.00 H new ATOM 798 N ASP A 129 0.830 10.672 -7.187 1.00 10.00 N ATOM 799 CA ASP A 129 0.705 12.124 -7.246 1.00 10.00 C ATOM 800 C ASP A 129 2.063 12.742 -7.610 1.00 10.00 C ATOM 801 O ASP A 129 2.341 12.960 -8.786 1.00 10.00 O ATOM 802 CB ASP A 129 0.159 12.691 -5.922 1.00 10.00 C ATOM 803 CG ASP A 129 -1.330 12.457 -5.677 1.00 10.00 C ATOM 804 OD1 ASP A 129 -1.994 11.862 -6.553 1.00 10.00 O ATOM 805 OD2 ASP A 129 -1.785 12.906 -4.602 1.00 10.00 O ATOM 0 H ASP A 129 0.840 10.290 -6.241 1.00 10.00 H new ATOM 0 HA ASP A 129 -0.015 12.387 -8.021 1.00 10.00 H new ATOM 0 HB2 ASP A 129 0.720 12.250 -5.098 1.00 10.00 H new ATOM 0 HB3 ASP A 129 0.350 13.764 -5.899 1.00 10.00 H new ATOM 810 N GLN A 130 2.873 13.071 -6.594 1.00 10.00 N ATOM 811 CA GLN A 130 4.162 13.760 -6.699 1.00 10.00 C ATOM 812 C GLN A 130 4.754 13.996 -5.298 1.00 10.00 C ATOM 813 O GLN A 130 5.253 15.082 -5.013 1.00 10.00 O ATOM 814 CB GLN A 130 4.009 15.087 -7.475 1.00 10.00 C ATOM 815 CG GLN A 130 2.936 16.011 -6.873 1.00 10.00 C ATOM 816 CD GLN A 130 2.518 17.118 -7.834 1.00 10.00 C ATOM 817 OE1 GLN A 130 3.291 17.562 -8.677 1.00 10.00 O ATOM 818 NE2 GLN A 130 1.274 17.576 -7.724 1.00 10.00 N ATOM 0 H GLN A 130 2.632 12.851 -5.628 1.00 10.00 H new ATOM 0 HA GLN A 130 4.854 13.129 -7.257 1.00 10.00 H new ATOM 0 HB2 GLN A 130 4.966 15.608 -7.486 1.00 10.00 H new ATOM 0 HB3 GLN A 130 3.753 14.869 -8.512 1.00 10.00 H new ATOM 0 HG2 GLN A 130 2.062 15.420 -6.602 1.00 10.00 H new ATOM 0 HG3 GLN A 130 3.317 16.456 -5.954 1.00 10.00 H new ATOM 0 HE21 GLN A 130 0.650 17.191 -7.015 1.00 10.00 H new ATOM 0 HE22 GLN A 130 0.944 18.312 -8.348 1.00 10.00 H new ATOM 827 N ASP A 131 4.669 12.996 -4.418 1.00 10.00 N ATOM 828 CA ASP A 131 5.065 13.073 -3.014 1.00 10.00 C ATOM 829 C ASP A 131 5.221 11.658 -2.458 1.00 10.00 C ATOM 830 O ASP A 131 6.323 11.176 -2.207 1.00 10.00 O ATOM 831 CB ASP A 131 3.995 13.828 -2.191 1.00 10.00 C ATOM 832 CG ASP A 131 4.299 15.311 -2.004 1.00 10.00 C ATOM 833 OD1 ASP A 131 5.357 15.595 -1.399 1.00 10.00 O ATOM 834 OD2 ASP A 131 3.430 16.122 -2.395 1.00 10.00 O ATOM 0 H ASP A 131 4.309 12.077 -4.675 1.00 10.00 H new ATOM 0 HA ASP A 131 6.010 13.611 -2.942 1.00 10.00 H new ATOM 0 HB2 ASP A 131 3.029 13.724 -2.685 1.00 10.00 H new ATOM 0 HB3 ASP A 131 3.905 13.358 -1.212 1.00 10.00 H new ATOM 839 N GLY A 132 4.077 11.018 -2.219 1.00 10.00 N ATOM 840 CA GLY A 132 3.953 9.736 -1.543 1.00 10.00 C ATOM 841 C GLY A 132 2.473 9.497 -1.268 1.00 10.00 C ATOM 842 O GLY A 132 2.057 9.258 -0.135 1.00 10.00 O ATOM 0 H GLY A 132 3.175 11.399 -2.505 1.00 10.00 H new ATOM 0 HA2 GLY A 132 4.361 8.937 -2.162 1.00 10.00 H new ATOM 0 HA3 GLY A 132 4.519 9.739 -0.612 1.00 10.00 H new ATOM 846 N ARG A 133 1.680 9.633 -2.329 1.00 10.00 N ATOM 847 CA ARG A 133 0.233 9.553 -2.335 1.00 10.00 C ATOM 848 C ARG A 133 -0.113 8.600 -3.476 1.00 10.00 C ATOM 849 O ARG A 133 0.421 8.738 -4.581 1.00 10.00 O ATOM 850 CB ARG A 133 -0.347 10.963 -2.526 1.00 10.00 C ATOM 851 CG ARG A 133 -0.583 11.687 -1.193 1.00 10.00 C ATOM 852 CD ARG A 133 -2.015 11.421 -0.716 1.00 10.00 C ATOM 853 NE ARG A 133 -2.219 11.782 0.694 1.00 10.00 N ATOM 854 CZ ARG A 133 -3.420 11.870 1.290 1.00 10.00 C ATOM 855 NH1 ARG A 133 -4.536 11.922 0.553 1.00 10.00 N ATOM 856 NH2 ARG A 133 -3.499 11.898 2.626 1.00 10.00 N ATOM 0 H ARG A 133 2.059 9.812 -3.259 1.00 10.00 H new ATOM 0 HA ARG A 133 -0.191 9.179 -1.403 1.00 10.00 H new ATOM 0 HB2 ARG A 133 0.334 11.552 -3.140 1.00 10.00 H new ATOM 0 HB3 ARG A 133 -1.289 10.894 -3.070 1.00 10.00 H new ATOM 0 HG2 ARG A 133 0.131 11.340 -0.446 1.00 10.00 H new ATOM 0 HG3 ARG A 133 -0.421 12.758 -1.315 1.00 10.00 H new ATOM 0 HD2 ARG A 133 -2.711 11.986 -1.336 1.00 10.00 H new ATOM 0 HD3 ARG A 133 -2.250 10.366 -0.854 1.00 10.00 H new ATOM 0 HE ARG A 133 -1.393 11.979 1.259 1.00 10.00 H new ATOM 0 HH11 ARG A 133 -4.477 11.895 -0.465 1.00 10.00 H new ATOM 0 HH12 ARG A 133 -5.446 11.989 1.009 1.00 10.00 H new ATOM 0 HH21 ARG A 133 -2.649 11.853 3.188 1.00 10.00 H new ATOM 0 HH22 ARG A 133 -4.409 11.965 3.082 1.00 10.00 H new ATOM 870 N VAL A 134 -0.907 7.575 -3.147 1.00 10.00 N ATOM 871 CA VAL A 134 -1.178 6.413 -3.973 1.00 10.00 C ATOM 872 C VAL A 134 -2.684 6.127 -4.004 1.00 10.00 C ATOM 873 O VAL A 134 -3.308 5.943 -2.955 1.00 10.00 O ATOM 874 CB VAL A 134 -0.371 5.202 -3.450 1.00 10.00 C ATOM 875 CG1 VAL A 134 0.522 4.677 -4.567 1.00 10.00 C ATOM 876 CG2 VAL A 134 0.512 5.539 -2.234 1.00 10.00 C ATOM 0 H VAL A 134 -1.397 7.540 -2.253 1.00 10.00 H new ATOM 0 HA VAL A 134 -0.862 6.608 -4.998 1.00 10.00 H new ATOM 0 HB VAL A 134 -1.096 4.454 -3.129 1.00 10.00 H new ATOM 0 HG11 VAL A 134 1.094 3.823 -4.205 1.00 10.00 H new ATOM 0 HG12 VAL A 134 -0.095 4.369 -5.411 1.00 10.00 H new ATOM 0 HG13 VAL A 134 1.207 5.463 -4.885 1.00 10.00 H new ATOM 0 HG21 VAL A 134 1.051 4.646 -1.917 1.00 10.00 H new ATOM 0 HG22 VAL A 134 1.226 6.316 -2.507 1.00 10.00 H new ATOM 0 HG23 VAL A 134 -0.115 5.894 -1.416 1.00 10.00 H new ATOM 886 N ASN A 135 -3.263 6.056 -5.209 1.00 10.00 N ATOM 887 CA ASN A 135 -4.606 5.546 -5.418 1.00 10.00 C ATOM 888 C ASN A 135 -4.609 4.075 -5.015 1.00 10.00 C ATOM 889 O ASN A 135 -3.929 3.266 -5.646 1.00 10.00 O ATOM 890 CB ASN A 135 -4.998 5.671 -6.899 1.00 10.00 C ATOM 891 CG ASN A 135 -5.687 6.984 -7.262 1.00 10.00 C ATOM 892 OD1 ASN A 135 -5.880 7.862 -6.432 1.00 10.00 O ATOM 893 ND2 ASN A 135 -6.071 7.134 -8.527 1.00 10.00 N ATOM 0 H ASN A 135 -2.801 6.356 -6.068 1.00 10.00 H new ATOM 0 HA ASN A 135 -5.321 6.115 -4.824 1.00 10.00 H new ATOM 0 HB2 ASN A 135 -4.101 5.565 -7.509 1.00 10.00 H new ATOM 0 HB3 ASN A 135 -5.660 4.844 -7.158 1.00 10.00 H new ATOM 0 HD21 ASN A 135 -6.536 7.993 -8.820 1.00 10.00 H new ATOM 0 HD22 ASN A 135 -5.901 6.390 -9.203 1.00 10.00 H new ATOM 900 N TYR A 136 -5.369 3.748 -3.970 1.00 10.00 N ATOM 901 CA TYR A 136 -5.473 2.421 -3.377 1.00 10.00 C ATOM 902 C TYR A 136 -5.502 1.301 -4.431 1.00 10.00 C ATOM 903 O TYR A 136 -4.600 0.465 -4.473 1.00 10.00 O ATOM 904 CB TYR A 136 -6.650 2.414 -2.392 1.00 10.00 C ATOM 905 CG TYR A 136 -7.550 1.210 -2.433 1.00 10.00 C ATOM 906 CD1 TYR A 136 -7.149 -0.033 -1.939 1.00 10.00 C ATOM 907 CD2 TYR A 136 -8.828 1.360 -2.955 1.00 10.00 C ATOM 908 CE1 TYR A 136 -8.077 -1.070 -1.810 1.00 10.00 C ATOM 909 CE2 TYR A 136 -9.768 0.338 -2.854 1.00 10.00 C ATOM 910 CZ TYR A 136 -9.395 -0.903 -2.296 1.00 10.00 C ATOM 911 OH TYR A 136 -10.194 -1.993 -2.496 1.00 10.00 O ATOM 0 H TYR A 136 -5.954 4.435 -3.494 1.00 10.00 H new ATOM 0 HA TYR A 136 -4.571 2.196 -2.808 1.00 10.00 H new ATOM 0 HB2 TYR A 136 -6.251 2.508 -1.382 1.00 10.00 H new ATOM 0 HB3 TYR A 136 -7.257 3.300 -2.578 1.00 10.00 H new ATOM 0 HD1 TYR A 136 -6.119 -0.193 -1.656 1.00 10.00 H new ATOM 0 HD2 TYR A 136 -9.097 2.283 -3.447 1.00 10.00 H new ATOM 0 HE1 TYR A 136 -7.788 -1.998 -1.340 1.00 10.00 H new ATOM 0 HE2 TYR A 136 -10.779 0.495 -3.201 1.00 10.00 H new ATOM 0 HH TYR A 136 -10.241 -2.193 -3.454 1.00 10.00 H new ATOM 921 N GLU A 137 -6.533 1.274 -5.278 1.00 10.00 N ATOM 922 CA GLU A 137 -6.776 0.121 -6.135 1.00 10.00 C ATOM 923 C GLU A 137 -5.872 0.136 -7.372 1.00 10.00 C ATOM 924 O GLU A 137 -5.379 -0.911 -7.784 1.00 10.00 O ATOM 925 CB GLU A 137 -8.278 -0.015 -6.439 1.00 10.00 C ATOM 926 CG GLU A 137 -8.733 -1.476 -6.301 1.00 10.00 C ATOM 927 CD GLU A 137 -10.248 -1.586 -6.193 1.00 10.00 C ATOM 928 OE1 GLU A 137 -10.901 -1.368 -7.234 1.00 10.00 O ATOM 929 OE2 GLU A 137 -10.714 -1.880 -5.068 1.00 10.00 O ATOM 0 H GLU A 137 -7.206 2.033 -5.386 1.00 10.00 H new ATOM 0 HA GLU A 137 -6.496 -0.788 -5.603 1.00 10.00 H new ATOM 0 HB2 GLU A 137 -8.850 0.615 -5.757 1.00 10.00 H new ATOM 0 HB3 GLU A 137 -8.483 0.340 -7.449 1.00 10.00 H new ATOM 0 HG2 GLU A 137 -8.387 -2.048 -7.162 1.00 10.00 H new ATOM 0 HG3 GLU A 137 -8.272 -1.919 -5.418 1.00 10.00 H new ATOM 936 N GLU A 138 -5.590 1.316 -7.941 1.00 10.00 N ATOM 937 CA GLU A 138 -4.601 1.429 -9.014 1.00 10.00 C ATOM 938 C GLU A 138 -3.263 0.867 -8.518 1.00 10.00 C ATOM 939 O GLU A 138 -2.633 0.055 -9.189 1.00 10.00 O ATOM 940 CB GLU A 138 -4.478 2.881 -9.518 1.00 10.00 C ATOM 941 CG GLU A 138 -4.628 2.997 -11.048 1.00 10.00 C ATOM 942 CD GLU A 138 -3.478 2.368 -11.833 1.00 10.00 C ATOM 943 OE1 GLU A 138 -2.320 2.600 -11.434 1.00 10.00 O ATOM 944 OE2 GLU A 138 -3.773 1.682 -12.841 1.00 10.00 O ATOM 0 H GLU A 138 -6.030 2.197 -7.677 1.00 10.00 H new ATOM 0 HA GLU A 138 -4.927 0.843 -9.873 1.00 10.00 H new ATOM 0 HB2 GLU A 138 -5.239 3.494 -9.035 1.00 10.00 H new ATOM 0 HB3 GLU A 138 -3.509 3.283 -9.221 1.00 10.00 H new ATOM 0 HG2 GLU A 138 -5.562 2.523 -11.348 1.00 10.00 H new ATOM 0 HG3 GLU A 138 -4.705 4.051 -11.317 1.00 10.00 H new ATOM 951 N PHE A 139 -2.852 1.232 -7.300 1.00 10.00 N ATOM 952 CA PHE A 139 -1.617 0.720 -6.727 1.00 10.00 C ATOM 953 C PHE A 139 -1.536 -0.802 -6.745 1.00 10.00 C ATOM 954 O PHE A 139 -0.479 -1.354 -7.032 1.00 10.00 O ATOM 955 CB PHE A 139 -1.405 1.241 -5.309 1.00 10.00 C ATOM 956 CG PHE A 139 -0.132 0.697 -4.704 1.00 10.00 C ATOM 957 CD1 PHE A 139 -0.148 -0.573 -4.095 1.00 10.00 C ATOM 958 CD2 PHE A 139 1.103 1.290 -5.022 1.00 10.00 C ATOM 959 CE1 PHE A 139 1.048 -1.154 -3.653 1.00 10.00 C ATOM 960 CE2 PHE A 139 2.287 0.762 -4.488 1.00 10.00 C ATOM 961 CZ PHE A 139 2.236 -0.416 -3.731 1.00 10.00 C ATOM 0 H PHE A 139 -3.360 1.879 -6.697 1.00 10.00 H new ATOM 0 HA PHE A 139 -0.816 1.092 -7.366 1.00 10.00 H new ATOM 0 HB2 PHE A 139 -1.366 2.330 -5.322 1.00 10.00 H new ATOM 0 HB3 PHE A 139 -2.254 0.960 -4.686 1.00 10.00 H new ATOM 0 HD1 PHE A 139 -1.083 -1.099 -3.969 1.00 10.00 H new ATOM 0 HD2 PHE A 139 1.139 2.149 -5.675 1.00 10.00 H new ATOM 0 HE1 PHE A 139 1.054 -2.159 -3.257 1.00 10.00 H new ATOM 0 HE2 PHE A 139 3.230 1.259 -4.659 1.00 10.00 H new ATOM 0 HZ PHE A 139 3.116 -0.756 -3.206 1.00 10.00 H new ATOM 971 N ALA A 140 -2.630 -1.493 -6.435 1.00 10.00 N ATOM 972 CA ALA A 140 -2.661 -2.951 -6.484 1.00 10.00 C ATOM 973 C ALA A 140 -2.107 -3.483 -7.820 1.00 10.00 C ATOM 974 O ALA A 140 -1.469 -4.533 -7.871 1.00 10.00 O ATOM 975 CB ALA A 140 -4.098 -3.409 -6.260 1.00 10.00 C ATOM 0 H ALA A 140 -3.509 -1.064 -6.146 1.00 10.00 H new ATOM 0 HA ALA A 140 -2.020 -3.355 -5.700 1.00 10.00 H new ATOM 0 HB1 ALA A 140 -4.142 -4.498 -6.293 1.00 10.00 H new ATOM 0 HB2 ALA A 140 -4.443 -3.061 -5.286 1.00 10.00 H new ATOM 0 HB3 ALA A 140 -4.737 -2.996 -7.040 1.00 10.00 H new ATOM 981 N ARG A 141 -2.317 -2.727 -8.902 1.00 10.00 N ATOM 982 CA ARG A 141 -1.733 -2.989 -10.206 1.00 10.00 C ATOM 983 C ARG A 141 -0.210 -2.832 -10.156 1.00 10.00 C ATOM 984 O ARG A 141 0.513 -3.686 -10.650 1.00 10.00 O ATOM 985 CB ARG A 141 -2.340 -1.999 -11.202 1.00 10.00 C ATOM 986 CG ARG A 141 -2.348 -2.469 -12.655 1.00 10.00 C ATOM 987 CD ARG A 141 -2.804 -1.249 -13.460 1.00 10.00 C ATOM 988 NE ARG A 141 -3.327 -1.600 -14.781 1.00 10.00 N ATOM 989 CZ ARG A 141 -3.919 -0.707 -15.590 1.00 10.00 C ATOM 990 NH1 ARG A 141 -4.016 0.578 -15.229 1.00 10.00 N ATOM 991 NH2 ARG A 141 -4.423 -1.111 -16.762 1.00 10.00 N ATOM 0 H ARG A 141 -2.912 -1.899 -8.887 1.00 10.00 H new ATOM 0 HA ARG A 141 -1.948 -4.012 -10.513 1.00 10.00 H new ATOM 0 HB2 ARG A 141 -3.365 -1.785 -10.899 1.00 10.00 H new ATOM 0 HB3 ARG A 141 -1.787 -1.061 -11.142 1.00 10.00 H new ATOM 0 HG2 ARG A 141 -1.358 -2.802 -12.968 1.00 10.00 H new ATOM 0 HG3 ARG A 141 -3.026 -3.311 -12.794 1.00 10.00 H new ATOM 0 HD2 ARG A 141 -3.573 -0.718 -12.900 1.00 10.00 H new ATOM 0 HD3 ARG A 141 -1.965 -0.564 -13.578 1.00 10.00 H new ATOM 0 HE ARG A 141 -3.238 -2.564 -15.101 1.00 10.00 H new ATOM 0 HH11 ARG A 141 -3.638 0.886 -14.333 1.00 10.00 H new ATOM 0 HH12 ARG A 141 -4.467 1.250 -15.850 1.00 10.00 H new ATOM 0 HH21 ARG A 141 -4.356 -2.091 -17.035 1.00 10.00 H new ATOM 0 HH22 ARG A 141 -4.874 -0.438 -17.382 1.00 10.00 H new ATOM 1005 N MET A 142 0.285 -1.733 -9.578 1.00 10.00 N ATOM 1006 CA MET A 142 1.716 -1.462 -9.485 1.00 10.00 C ATOM 1007 C MET A 142 2.426 -2.425 -8.532 1.00 10.00 C ATOM 1008 O MET A 142 3.606 -2.695 -8.728 1.00 10.00 O ATOM 1009 CB MET A 142 1.997 -0.035 -9.022 1.00 10.00 C ATOM 1010 CG MET A 142 1.379 1.111 -9.836 1.00 10.00 C ATOM 1011 SD MET A 142 2.183 1.502 -11.412 1.00 10.00 S ATOM 1012 CE MET A 142 1.245 0.470 -12.557 1.00 10.00 C ATOM 0 H MET A 142 -0.299 -1.008 -9.162 1.00 10.00 H new ATOM 0 HA MET A 142 2.105 -1.602 -10.494 1.00 10.00 H new ATOM 0 HB2 MET A 142 1.650 0.059 -7.993 1.00 10.00 H new ATOM 0 HB3 MET A 142 3.078 0.107 -9.008 1.00 10.00 H new ATOM 0 HG2 MET A 142 0.336 0.865 -10.036 1.00 10.00 H new ATOM 0 HG3 MET A 142 1.382 2.009 -9.219 1.00 10.00 H new ATOM 0 HE1 MET A 142 1.903 0.118 -13.352 1.00 10.00 H new ATOM 0 HE2 MET A 142 0.832 -0.385 -12.022 1.00 10.00 H new ATOM 0 HE3 MET A 142 0.433 1.053 -12.990 1.00 10.00 H new ATOM 1022 N LEU A 143 1.745 -2.947 -7.502 1.00 10.00 N ATOM 1023 CA LEU A 143 2.248 -4.071 -6.744 1.00 10.00 C ATOM 1024 C LEU A 143 2.662 -5.135 -7.774 1.00 10.00 C ATOM 1025 O LEU A 143 3.837 -5.484 -7.887 1.00 10.00 O ATOM 1026 CB LEU A 143 1.178 -4.523 -5.732 1.00 10.00 C ATOM 1027 CG LEU A 143 1.299 -6.017 -5.479 1.00 10.00 C ATOM 1028 CD1 LEU A 143 2.613 -6.321 -4.750 1.00 10.00 C ATOM 1029 CD2 LEU A 143 0.023 -6.389 -4.763 1.00 10.00 C ATOM 0 H LEU A 143 0.841 -2.597 -7.184 1.00 10.00 H new ATOM 0 HA LEU A 143 3.122 -3.836 -6.137 1.00 10.00 H new ATOM 0 HB2 LEU A 143 1.297 -3.977 -4.796 1.00 10.00 H new ATOM 0 HB3 LEU A 143 0.184 -4.290 -6.113 1.00 10.00 H new ATOM 0 HG LEU A 143 1.376 -6.633 -6.375 1.00 10.00 H new ATOM 0 HD11 LEU A 143 2.691 -7.394 -4.573 1.00 10.00 H new ATOM 0 HD12 LEU A 143 3.453 -5.992 -5.362 1.00 10.00 H new ATOM 0 HD13 LEU A 143 2.630 -5.794 -3.796 1.00 10.00 H new ATOM 0 HD21 LEU A 143 0.028 -7.456 -4.542 1.00 10.00 H new ATOM 0 HD22 LEU A 143 -0.050 -5.826 -3.833 1.00 10.00 H new ATOM 0 HD23 LEU A 143 -0.832 -6.154 -5.397 1.00 10.00 H new ATOM 1041 N ALA A 144 1.703 -5.633 -8.561 1.00 10.00 N ATOM 1042 CA ALA A 144 2.022 -6.586 -9.616 1.00 10.00 C ATOM 1043 C ALA A 144 2.449 -5.876 -10.892 1.00 10.00 C ATOM 1044 O ALA A 144 1.790 -5.931 -11.930 1.00 10.00 O ATOM 1045 CB ALA A 144 0.860 -7.502 -9.883 1.00 10.00 C ATOM 0 H ALA A 144 0.714 -5.393 -8.486 1.00 10.00 H new ATOM 0 HA ALA A 144 2.861 -7.190 -9.271 1.00 10.00 H new ATOM 0 HB1 ALA A 144 1.124 -8.203 -10.674 1.00 10.00 H new ATOM 0 HB2 ALA A 144 0.616 -8.054 -8.975 1.00 10.00 H new ATOM 0 HB3 ALA A 144 -0.003 -6.913 -10.193 1.00 10.00 H new ATOM 1051 N GLN A 145 3.614 -5.261 -10.784 1.00 10.00 N ATOM 1052 CA GLN A 145 4.304 -4.547 -11.854 1.00 10.00 C ATOM 1053 C GLN A 145 4.858 -5.537 -12.905 1.00 10.00 C ATOM 1054 O GLN A 145 6.052 -5.508 -13.201 1.00 10.00 O ATOM 1055 CB GLN A 145 5.416 -3.638 -11.294 1.00 10.00 C ATOM 1056 CG GLN A 145 6.404 -4.355 -10.359 1.00 10.00 C ATOM 1057 CD GLN A 145 7.854 -3.950 -10.617 1.00 10.00 C ATOM 1058 OE1 GLN A 145 8.695 -4.799 -10.902 1.00 10.00 O ATOM 1059 NE2 GLN A 145 8.192 -2.668 -10.517 1.00 10.00 N ATOM 0 H GLN A 145 4.133 -5.243 -9.906 1.00 10.00 H new ATOM 0 HA GLN A 145 3.579 -3.903 -12.352 1.00 10.00 H new ATOM 0 HB2 GLN A 145 5.970 -3.205 -12.127 1.00 10.00 H new ATOM 0 HB3 GLN A 145 4.956 -2.811 -10.753 1.00 10.00 H new ATOM 0 HG2 GLN A 145 6.147 -4.131 -9.324 1.00 10.00 H new ATOM 0 HG3 GLN A 145 6.303 -5.433 -10.487 1.00 10.00 H new ATOM 0 HE21 GLN A 145 7.486 -1.971 -10.280 1.00 10.00 H new ATOM 0 HE22 GLN A 145 9.158 -2.381 -10.677 1.00 10.00 H new ATOM 1068 N GLU A 146 4.014 -6.425 -13.439 1.00 10.00 N ATOM 1069 CA GLU A 146 4.356 -7.378 -14.488 1.00 10.00 C ATOM 1070 C GLU A 146 3.951 -6.779 -15.840 1.00 10.00 C ATOM 1071 O GLU A 146 4.656 -7.065 -16.832 1.00 10.00 O ATOM 1072 CB GLU A 146 3.646 -8.726 -14.248 1.00 10.00 C ATOM 1073 CG GLU A 146 4.038 -9.418 -12.924 1.00 10.00 C ATOM 1074 CD GLU A 146 3.425 -10.815 -12.754 1.00 10.00 C ATOM 1075 OE1 GLU A 146 3.228 -11.491 -13.786 1.00 10.00 O ATOM 1076 OE2 GLU A 146 3.179 -11.214 -11.590 1.00 10.00 O ATOM 1077 OXT GLU A 146 2.932 -6.051 -15.862 1.00 10.00 O ATOM 0 H GLU A 146 3.042 -6.499 -13.140 1.00 10.00 H new ATOM 0 HA GLU A 146 5.429 -7.569 -14.481 1.00 10.00 H new ATOM 0 HB2 GLU A 146 2.568 -8.563 -14.255 1.00 10.00 H new ATOM 0 HB3 GLU A 146 3.873 -9.396 -15.077 1.00 10.00 H new ATOM 0 HG2 GLU A 146 5.124 -9.499 -12.874 1.00 10.00 H new ATOM 0 HG3 GLU A 146 3.726 -8.790 -12.090 1.00 10.00 H new TER 1084 GLU A 146