USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 481 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 136 SER OG : rot -114:sc= 0.304 USER MOD Set 1.2: A 138 ASN :FLIP amide:sc= 0.266 F(o=-2.2!,f=0.57) USER MOD Set 2.1: A 127 SER OG : rot 27:sc= 1.14 USER MOD Set 2.2: A 130 THR OG1 : rot -20:sc= 1.74 USER MOD Set 3.1: A 102 HIS : no HE2:sc= -2.47! C(o=-1.7!,f=-11!) USER MOD Set 3.2: A 105 ASN : amide:sc= 0.755 K(o=-1.7,f=-15!) USER MOD Single : A 84 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.18) USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -0.0812 (180deg=-0.39) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 1.24 K(o=1.2,f=-5!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4.7!) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= 1.26 (180deg=0.934) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -165:sc= 1.41 (180deg=1.23) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 158:sc= -1.78 (180deg=-2.81!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 7.391 3.801 -3.796 1.00 0.00 N ATOM 62 CA ASP A 80 7.020 2.398 -3.825 1.00 0.00 C ATOM 63 C ASP A 80 7.553 1.674 -2.600 1.00 0.00 C ATOM 64 O ASP A 80 8.756 1.674 -2.325 1.00 0.00 O ATOM 65 CB ASP A 80 7.466 1.698 -5.134 1.00 0.00 C ATOM 66 CG ASP A 80 8.962 1.503 -5.257 1.00 0.00 C ATOM 67 OD1 ASP A 80 9.681 2.492 -5.512 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.427 0.344 -5.126 1.00 0.00 O ATOM 0 HA ASP A 80 5.931 2.351 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.978 0.725 -5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.117 2.285 -5.983 1.00 0.00 H new ATOM 73 N LEU A 81 6.646 1.094 -1.854 1.00 0.00 N ATOM 74 CA LEU A 81 6.987 0.362 -0.651 1.00 0.00 C ATOM 75 C LEU A 81 6.986 -1.124 -0.978 1.00 0.00 C ATOM 76 O LEU A 81 6.080 -1.610 -1.650 1.00 0.00 O ATOM 77 CB LEU A 81 5.958 0.704 0.455 1.00 0.00 C ATOM 78 CG LEU A 81 6.334 0.371 1.916 1.00 0.00 C ATOM 79 CD1 LEU A 81 6.158 -1.110 2.221 1.00 0.00 C ATOM 80 CD2 LEU A 81 7.753 0.824 2.229 1.00 0.00 C ATOM 0 H LEU A 81 5.647 1.114 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 81 7.977 0.638 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.748 1.772 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.029 0.183 0.221 1.00 0.00 H new ATOM 0 HG LEU A 81 5.649 0.921 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.433 -1.303 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.117 -1.393 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.798 -1.696 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.994 0.578 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.452 0.317 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.831 1.902 2.085 1.00 0.00 H new ATOM 92 N ILE A 82 7.998 -1.843 -0.533 1.00 0.00 N ATOM 93 CA ILE A 82 8.105 -3.251 -0.850 1.00 0.00 C ATOM 94 C ILE A 82 7.524 -4.103 0.265 1.00 0.00 C ATOM 95 O ILE A 82 7.687 -3.797 1.445 1.00 0.00 O ATOM 96 CB ILE A 82 9.570 -3.668 -1.090 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.239 -2.715 -2.071 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.632 -5.088 -1.612 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.657 -3.099 -2.426 1.00 0.00 C ATOM 0 H ILE A 82 8.754 -1.477 0.046 1.00 0.00 H new ATOM 0 HA ILE A 82 7.538 -3.414 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 82 10.105 -3.621 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.645 -2.673 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.240 -1.712 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.672 -5.370 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.184 -5.764 -0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.084 -5.154 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.066 -2.373 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.267 -3.113 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.662 -4.089 -2.883 1.00 0.00 H new ATOM 111 N VAL A 83 6.872 -5.181 -0.112 1.00 0.00 N ATOM 112 CA VAL A 83 6.254 -6.079 0.837 1.00 0.00 C ATOM 113 C VAL A 83 6.660 -7.511 0.536 1.00 0.00 C ATOM 114 O VAL A 83 7.012 -7.839 -0.600 1.00 0.00 O ATOM 115 CB VAL A 83 4.713 -5.966 0.820 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.265 -4.595 1.299 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.172 -6.249 -0.571 1.00 0.00 C ATOM 0 H VAL A 83 6.756 -5.459 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 83 6.601 -5.794 1.830 1.00 0.00 H new ATOM 0 HB VAL A 83 4.311 -6.713 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.177 -4.540 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.617 -4.433 2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.680 -3.828 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.085 -6.165 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.587 -5.529 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.455 -7.257 -0.873 1.00 0.00 H new ATOM 127 N HIS A 84 6.635 -8.346 1.546 1.00 0.00 N ATOM 128 CA HIS A 84 7.024 -9.736 1.386 1.00 0.00 C ATOM 129 C HIS A 84 5.842 -10.665 1.612 1.00 0.00 C ATOM 130 O HIS A 84 5.458 -10.927 2.747 1.00 0.00 O ATOM 131 CB HIS A 84 8.174 -10.099 2.341 1.00 0.00 C ATOM 132 CG HIS A 84 9.404 -9.250 2.172 1.00 0.00 C ATOM 133 ND1 HIS A 84 10.567 -9.703 1.582 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.647 -7.965 2.526 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.463 -8.734 1.583 1.00 0.00 C ATOM 136 NE2 HIS A 84 10.930 -7.674 2.147 1.00 0.00 N ATOM 0 H HIS A 84 6.350 -8.092 2.492 1.00 0.00 H new ATOM 0 HA HIS A 84 7.371 -9.864 0.361 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.821 -10.008 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.443 -11.144 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.957 -7.295 3.016 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.465 -8.801 1.187 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.397 -6.777 2.281 1.00 0.00 H new ATOM 145 N GLU A 85 5.266 -11.151 0.524 1.00 0.00 N ATOM 146 CA GLU A 85 4.145 -12.088 0.599 1.00 0.00 C ATOM 147 C GLU A 85 4.611 -13.486 0.241 1.00 0.00 C ATOM 148 O GLU A 85 4.955 -13.757 -0.914 1.00 0.00 O ATOM 149 CB GLU A 85 2.993 -11.679 -0.333 1.00 0.00 C ATOM 150 CG GLU A 85 2.231 -10.441 0.099 1.00 0.00 C ATOM 151 CD GLU A 85 1.692 -10.543 1.506 1.00 0.00 C ATOM 152 OE1 GLU A 85 0.758 -11.335 1.733 1.00 0.00 O ATOM 153 OE2 GLU A 85 2.177 -9.811 2.389 1.00 0.00 O ATOM 0 H GLU A 85 5.554 -10.914 -0.426 1.00 0.00 H new ATOM 0 HA GLU A 85 3.773 -12.070 1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.396 -11.510 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.293 -12.511 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.888 -9.574 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.404 -10.271 -0.590 1.00 0.00 H new ATOM 160 N GLY A 86 4.642 -14.364 1.229 1.00 0.00 N ATOM 161 CA GLY A 86 5.086 -15.726 1.008 1.00 0.00 C ATOM 162 C GLY A 86 6.543 -15.788 0.613 1.00 0.00 C ATOM 163 O GLY A 86 6.956 -16.673 -0.131 1.00 0.00 O ATOM 0 H GLY A 86 4.365 -14.157 2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.931 -16.310 1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.479 -16.183 0.227 1.00 0.00 H new ATOM 167 N GLY A 87 7.321 -14.835 1.103 1.00 0.00 N ATOM 168 CA GLY A 87 8.728 -14.786 0.780 1.00 0.00 C ATOM 169 C GLY A 87 8.998 -14.043 -0.515 1.00 0.00 C ATOM 170 O GLY A 87 10.147 -13.755 -0.841 1.00 0.00 O ATOM 0 H GLY A 87 6.999 -14.091 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.268 -14.301 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.116 -15.802 0.701 1.00 0.00 H new ATOM 174 N LYS A 88 7.938 -13.725 -1.245 1.00 0.00 N ATOM 175 CA LYS A 88 8.060 -13.016 -2.513 1.00 0.00 C ATOM 176 C LYS A 88 7.963 -11.528 -2.296 1.00 0.00 C ATOM 177 O LYS A 88 7.172 -11.058 -1.476 1.00 0.00 O ATOM 178 CB LYS A 88 6.976 -13.461 -3.504 1.00 0.00 C ATOM 179 CG LYS A 88 7.295 -14.733 -4.274 1.00 0.00 C ATOM 180 CD LYS A 88 7.623 -15.880 -3.348 1.00 0.00 C ATOM 181 CE LYS A 88 7.845 -17.167 -4.118 1.00 0.00 C ATOM 182 NZ LYS A 88 6.632 -17.584 -4.870 1.00 0.00 N ATOM 0 H LYS A 88 6.979 -13.948 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 88 9.036 -13.257 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.044 -13.608 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.804 -12.655 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.444 -15.003 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.137 -14.552 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.517 -15.640 -2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.811 -16.017 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.674 -17.035 -4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.132 -17.958 -3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.718 -18.585 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.792 -17.458 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.537 -17.001 -5.726 1.00 0.00 H new ATOM 196 N THR A 89 8.766 -10.794 -3.010 1.00 0.00 N ATOM 197 CA THR A 89 8.762 -9.359 -2.912 1.00 0.00 C ATOM 198 C THR A 89 7.813 -8.729 -3.915 1.00 0.00 C ATOM 199 O THR A 89 7.834 -9.053 -5.106 1.00 0.00 O ATOM 200 CB THR A 89 10.169 -8.791 -3.112 1.00 0.00 C ATOM 201 OG1 THR A 89 11.049 -9.815 -3.603 1.00 0.00 O ATOM 202 CG2 THR A 89 10.702 -8.238 -1.809 1.00 0.00 C ATOM 0 H THR A 89 9.441 -11.170 -3.676 1.00 0.00 H new ATOM 0 HA THR A 89 8.415 -9.112 -1.908 1.00 0.00 H new ATOM 0 HB THR A 89 10.118 -7.984 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.946 -9.442 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.703 -7.837 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.045 -7.444 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.742 -9.034 -1.065 1.00 0.00 H new ATOM 210 N TYR A 90 6.971 -7.847 -3.421 1.00 0.00 N ATOM 211 CA TYR A 90 6.031 -7.122 -4.246 1.00 0.00 C ATOM 212 C TYR A 90 6.187 -5.645 -3.977 1.00 0.00 C ATOM 213 O TYR A 90 6.532 -5.250 -2.865 1.00 0.00 O ATOM 214 CB TYR A 90 4.587 -7.542 -3.934 1.00 0.00 C ATOM 215 CG TYR A 90 4.274 -8.986 -4.233 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.590 -9.989 -3.327 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.654 -9.346 -5.417 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.299 -11.308 -3.597 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.360 -10.663 -5.693 1.00 0.00 C ATOM 220 CZ TYR A 90 3.686 -11.642 -4.779 1.00 0.00 C ATOM 221 OH TYR A 90 3.398 -12.959 -5.052 1.00 0.00 O ATOM 0 H TYR A 90 6.920 -7.612 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 90 6.236 -7.346 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.387 -7.352 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.907 -6.911 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.072 -9.731 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.397 -8.582 -6.136 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.552 -12.076 -2.882 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.876 -10.928 -6.622 1.00 0.00 H new ATOM 0 HH TYR A 90 2.964 -13.024 -5.928 1.00 0.00 H new ATOM 231 N HIS A 91 5.952 -4.835 -4.973 1.00 0.00 N ATOM 232 CA HIS A 91 6.042 -3.399 -4.809 1.00 0.00 C ATOM 233 C HIS A 91 4.658 -2.799 -4.728 1.00 0.00 C ATOM 234 O HIS A 91 3.755 -3.198 -5.462 1.00 0.00 O ATOM 235 CB HIS A 91 6.828 -2.755 -5.959 1.00 0.00 C ATOM 236 CG HIS A 91 8.274 -3.138 -5.996 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.299 -2.260 -5.719 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.867 -4.319 -6.284 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.452 -2.883 -5.836 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.217 -4.134 -6.176 1.00 0.00 N ATOM 0 H HIS A 91 5.696 -5.140 -5.912 1.00 0.00 H new ATOM 0 HA HIS A 91 6.577 -3.198 -3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.364 -3.035 -6.905 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.752 -1.671 -5.876 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.182 -1.280 -5.463 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.366 -5.238 -6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.426 -2.443 -5.680 1.00 0.00 H new ATOM 249 N VAL A 92 4.490 -1.861 -3.832 1.00 0.00 N ATOM 250 CA VAL A 92 3.231 -1.180 -3.669 1.00 0.00 C ATOM 251 C VAL A 92 3.391 0.250 -4.121 1.00 0.00 C ATOM 252 O VAL A 92 4.251 0.975 -3.615 1.00 0.00 O ATOM 253 CB VAL A 92 2.765 -1.184 -2.198 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.428 -0.476 -2.055 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.685 -2.604 -1.656 1.00 0.00 C ATOM 0 H VAL A 92 5.222 -1.547 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 92 2.483 -1.702 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 92 3.503 -0.640 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.118 -0.491 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.525 0.557 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.680 -0.985 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.354 -2.579 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.975 -3.180 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.668 -3.071 -1.712 1.00 0.00 H new ATOM 265 N VAL A 93 2.585 0.653 -5.070 1.00 0.00 N ATOM 266 CA VAL A 93 2.652 1.993 -5.603 1.00 0.00 C ATOM 267 C VAL A 93 1.281 2.636 -5.517 1.00 0.00 C ATOM 268 O VAL A 93 0.276 2.026 -5.898 1.00 0.00 O ATOM 269 CB VAL A 93 3.130 2.003 -7.079 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.321 3.427 -7.575 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.419 1.208 -7.239 1.00 0.00 C ATOM 0 H VAL A 93 1.867 0.066 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 93 3.375 2.554 -5.011 1.00 0.00 H new ATOM 0 HB VAL A 93 2.358 1.528 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.656 3.409 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.376 3.965 -7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.068 3.929 -6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.733 1.230 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.198 1.648 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.250 0.176 -6.933 1.00 0.00 H new ATOM 281 N CYS A 94 1.231 3.844 -5.018 1.00 0.00 N ATOM 282 CA CYS A 94 -0.024 4.541 -4.874 1.00 0.00 C ATOM 283 C CYS A 94 -0.207 5.568 -5.978 1.00 0.00 C ATOM 284 O CYS A 94 0.658 6.415 -6.207 1.00 0.00 O ATOM 285 CB CYS A 94 -0.117 5.190 -3.498 1.00 0.00 C ATOM 286 SG CYS A 94 -0.150 3.992 -2.129 1.00 0.00 S ATOM 0 H CYS A 94 2.047 4.368 -4.703 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.832 3.815 -4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.732 5.860 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.017 5.803 -3.455 1.00 0.00 H new ATOM 291 N HIS A 95 -1.334 5.479 -6.667 1.00 0.00 N ATOM 292 CA HIS A 95 -1.636 6.384 -7.767 1.00 0.00 C ATOM 293 C HIS A 95 -2.375 7.609 -7.262 1.00 0.00 C ATOM 294 O HIS A 95 -2.231 8.704 -7.810 1.00 0.00 O ATOM 295 CB HIS A 95 -2.488 5.680 -8.835 1.00 0.00 C ATOM 296 CG HIS A 95 -1.770 4.601 -9.595 1.00 0.00 C ATOM 297 ND1 HIS A 95 -1.193 4.806 -10.827 1.00 0.00 N ATOM 298 CD2 HIS A 95 -1.556 3.297 -9.295 1.00 0.00 C ATOM 299 CE1 HIS A 95 -0.656 3.678 -11.253 1.00 0.00 C ATOM 300 NE2 HIS A 95 -0.863 2.747 -10.344 1.00 0.00 N ATOM 0 H HIS A 95 -2.059 4.785 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.690 6.693 -8.213 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.365 5.246 -8.354 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.849 6.426 -9.543 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -1.872 2.786 -8.398 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.135 3.541 -12.189 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.558 1.776 -10.409 1.00 0.00 H new ATOM 309 N GLU A 96 -3.144 7.420 -6.200 1.00 0.00 N ATOM 310 CA GLU A 96 -3.962 8.477 -5.625 1.00 0.00 C ATOM 311 C GLU A 96 -4.156 8.230 -4.143 1.00 0.00 C ATOM 312 O GLU A 96 -3.754 7.180 -3.622 1.00 0.00 O ATOM 313 CB GLU A 96 -5.336 8.540 -6.306 1.00 0.00 C ATOM 314 CG GLU A 96 -5.299 8.951 -7.765 1.00 0.00 C ATOM 315 CD GLU A 96 -6.667 8.994 -8.379 1.00 0.00 C ATOM 316 OE1 GLU A 96 -7.316 10.058 -8.320 1.00 0.00 O ATOM 317 OE2 GLU A 96 -7.111 7.968 -8.922 1.00 0.00 O ATOM 0 H GLU A 96 -3.218 6.527 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.447 9.425 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.810 7.561 -6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.966 9.243 -5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.833 9.933 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.675 8.252 -8.322 1.00 0.00 H new ATOM 324 N GLU A 97 -4.758 9.187 -3.466 1.00 0.00 N ATOM 325 CA GLU A 97 -5.040 9.060 -2.053 1.00 0.00 C ATOM 326 C GLU A 97 -6.213 8.110 -1.835 1.00 0.00 C ATOM 327 O GLU A 97 -7.211 8.160 -2.562 1.00 0.00 O ATOM 328 CB GLU A 97 -5.350 10.429 -1.426 1.00 0.00 C ATOM 329 CG GLU A 97 -4.214 11.450 -1.510 1.00 0.00 C ATOM 330 CD GLU A 97 -4.008 12.007 -2.905 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.889 12.732 -3.394 1.00 0.00 O ATOM 332 OE2 GLU A 97 -2.968 11.715 -3.528 1.00 0.00 O ATOM 0 H GLU A 97 -5.063 10.069 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.153 8.654 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.230 10.846 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.609 10.281 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.423 12.272 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.289 10.982 -1.173 1.00 0.00 H new ATOM 339 N GLY A 98 -6.089 7.244 -0.851 1.00 0.00 N ATOM 340 CA GLY A 98 -7.139 6.296 -0.568 1.00 0.00 C ATOM 341 C GLY A 98 -6.634 4.871 -0.584 1.00 0.00 C ATOM 342 O GLY A 98 -5.578 4.591 -1.152 1.00 0.00 O ATOM 0 H GLY A 98 -5.276 7.179 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.573 6.516 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.936 6.407 -1.304 1.00 0.00 H new ATOM 346 N PRO A 99 -7.350 3.950 0.063 1.00 0.00 N ATOM 347 CA PRO A 99 -6.970 2.541 0.100 1.00 0.00 C ATOM 348 C PRO A 99 -7.299 1.791 -1.196 1.00 0.00 C ATOM 349 O PRO A 99 -8.354 1.989 -1.798 1.00 0.00 O ATOM 350 CB PRO A 99 -7.800 1.992 1.254 1.00 0.00 C ATOM 351 CG PRO A 99 -9.021 2.838 1.266 1.00 0.00 C ATOM 352 CD PRO A 99 -8.578 4.212 0.843 1.00 0.00 C ATOM 0 HA PRO A 99 -5.894 2.419 0.220 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.046 0.941 1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.261 2.059 2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.775 2.444 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.470 2.861 2.259 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.337 4.712 0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.379 4.853 1.702 1.00 0.00 H new ATOM 360 N ILE A 100 -6.384 0.932 -1.603 1.00 0.00 N ATOM 361 CA ILE A 100 -6.544 0.102 -2.791 1.00 0.00 C ATOM 362 C ILE A 100 -6.060 -1.321 -2.494 1.00 0.00 C ATOM 363 O ILE A 100 -5.293 -1.522 -1.555 1.00 0.00 O ATOM 364 CB ILE A 100 -5.802 0.697 -4.034 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.472 1.380 -3.639 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.706 1.673 -4.785 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.368 0.425 -3.233 1.00 0.00 C ATOM 0 H ILE A 100 -5.499 0.786 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.604 0.078 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.558 -0.134 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.124 1.981 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.662 2.066 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.172 2.075 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.601 1.152 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.991 2.489 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.474 0.992 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.691 -0.159 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.144 -0.246 -4.062 1.00 0.00 H new ATOM 379 N PRO A 101 -6.515 -2.333 -3.265 1.00 0.00 N ATOM 380 CA PRO A 101 -6.145 -3.740 -3.028 1.00 0.00 C ATOM 381 C PRO A 101 -4.653 -4.011 -3.220 1.00 0.00 C ATOM 382 O PRO A 101 -3.909 -3.173 -3.734 1.00 0.00 O ATOM 383 CB PRO A 101 -6.958 -4.506 -4.077 1.00 0.00 C ATOM 384 CG PRO A 101 -7.227 -3.503 -5.137 1.00 0.00 C ATOM 385 CD PRO A 101 -7.412 -2.201 -4.420 1.00 0.00 C ATOM 0 HA PRO A 101 -6.351 -4.034 -1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.401 -5.358 -4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.884 -4.897 -3.655 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.399 -3.447 -5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.117 -3.766 -5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.141 -1.352 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.447 -2.052 -4.113 1.00 0.00 H new ATOM 393 N HIS A 102 -4.233 -5.191 -2.813 1.00 0.00 N ATOM 394 CA HIS A 102 -2.849 -5.598 -2.917 1.00 0.00 C ATOM 395 C HIS A 102 -2.634 -6.254 -4.283 1.00 0.00 C ATOM 396 O HIS A 102 -3.382 -7.153 -4.657 1.00 0.00 O ATOM 397 CB HIS A 102 -2.533 -6.591 -1.787 1.00 0.00 C ATOM 398 CG HIS A 102 -1.115 -6.587 -1.312 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.273 -7.663 -1.446 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.402 -5.641 -0.660 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.891 -7.381 -0.907 1.00 0.00 C ATOM 402 NE2 HIS A 102 0.843 -6.159 -0.419 1.00 0.00 N ATOM 0 H HIS A 102 -4.844 -5.896 -2.400 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.186 -4.738 -2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.183 -6.372 -0.940 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.782 -7.596 -2.128 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.514 -8.546 -1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.750 -4.658 -0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.745 -8.041 -0.870 1.00 0.00 H new ATOM 411 N PRO A 103 -1.613 -5.807 -5.047 1.00 0.00 N ATOM 412 CA PRO A 103 -1.342 -6.318 -6.409 1.00 0.00 C ATOM 413 C PRO A 103 -1.218 -7.844 -6.463 1.00 0.00 C ATOM 414 O PRO A 103 -1.733 -8.488 -7.372 1.00 0.00 O ATOM 415 CB PRO A 103 -0.001 -5.655 -6.788 1.00 0.00 C ATOM 416 CG PRO A 103 0.543 -5.105 -5.507 1.00 0.00 C ATOM 417 CD PRO A 103 -0.648 -4.770 -4.662 1.00 0.00 C ATOM 0 HA PRO A 103 -2.159 -6.082 -7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.685 -6.379 -7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.147 -4.865 -7.525 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.182 -5.835 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.153 -4.220 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.414 -4.808 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.024 -3.768 -4.870 1.00 0.00 H new ATOM 425 N GLY A 104 -0.529 -8.399 -5.489 1.00 0.00 N ATOM 426 CA GLY A 104 -0.346 -9.837 -5.437 1.00 0.00 C ATOM 427 C GLY A 104 -1.598 -10.580 -4.996 1.00 0.00 C ATOM 428 O GLY A 104 -2.144 -11.396 -5.738 1.00 0.00 O ATOM 0 H GLY A 104 -0.089 -7.883 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.045 -10.195 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.468 -10.069 -4.751 1.00 0.00 H new ATOM 432 N ASN A 105 -2.040 -10.300 -3.788 1.00 0.00 N ATOM 433 CA ASN A 105 -3.182 -10.975 -3.197 1.00 0.00 C ATOM 434 C ASN A 105 -4.259 -9.983 -2.733 1.00 0.00 C ATOM 435 O ASN A 105 -4.075 -9.260 -1.752 1.00 0.00 O ATOM 436 CB ASN A 105 -2.705 -11.871 -2.029 1.00 0.00 C ATOM 437 CG ASN A 105 -1.735 -11.171 -1.057 1.00 0.00 C ATOM 438 OD1 ASN A 105 -1.059 -10.189 -1.406 1.00 0.00 O ATOM 439 ND2 ASN A 105 -1.629 -11.691 0.140 1.00 0.00 N ATOM 0 H ASN A 105 -1.617 -9.595 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.644 -11.600 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.575 -12.217 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.217 -12.755 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.978 -11.289 0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -2.198 -12.498 0.398 1.00 0.00 H new ATOM 446 N VAL A 106 -5.374 -9.953 -3.474 1.00 0.00 N ATOM 447 CA VAL A 106 -6.529 -9.068 -3.196 1.00 0.00 C ATOM 448 C VAL A 106 -7.119 -9.245 -1.771 1.00 0.00 C ATOM 449 O VAL A 106 -7.932 -8.429 -1.324 1.00 0.00 O ATOM 450 CB VAL A 106 -7.650 -9.287 -4.251 1.00 0.00 C ATOM 451 CG1 VAL A 106 -8.325 -10.638 -4.076 1.00 0.00 C ATOM 452 CG2 VAL A 106 -8.665 -8.155 -4.225 1.00 0.00 C ATOM 0 H VAL A 106 -5.508 -10.546 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.145 -8.050 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.177 -9.283 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.103 -10.757 -4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.586 -11.431 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.771 -10.696 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.435 -8.339 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -9.125 -8.101 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.164 -7.212 -4.444 1.00 0.00 H new ATOM 462 N HIS A 107 -6.714 -10.298 -1.064 1.00 0.00 N ATOM 463 CA HIS A 107 -7.194 -10.531 0.310 1.00 0.00 C ATOM 464 C HIS A 107 -6.610 -9.503 1.277 1.00 0.00 C ATOM 465 O HIS A 107 -6.963 -9.466 2.458 1.00 0.00 O ATOM 466 CB HIS A 107 -6.866 -11.953 0.783 1.00 0.00 C ATOM 467 CG HIS A 107 -7.668 -13.021 0.098 1.00 0.00 C ATOM 468 ND1 HIS A 107 -7.242 -14.324 -0.023 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.885 -12.972 -0.498 1.00 0.00 C ATOM 470 CE1 HIS A 107 -8.157 -15.028 -0.661 1.00 0.00 C ATOM 471 NE2 HIS A 107 -9.163 -14.230 -0.959 1.00 0.00 N ATOM 0 H HIS A 107 -6.061 -11.001 -1.409 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.278 -10.418 0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.806 -12.145 0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.037 -12.017 1.858 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.518 -12.102 -0.591 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -8.093 -16.080 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.012 -14.506 -1.453 1.00 0.00 H new ATOM 480 N LYS A 108 -5.734 -8.660 0.761 1.00 0.00 N ATOM 481 CA LYS A 108 -5.133 -7.604 1.533 1.00 0.00 C ATOM 482 C LYS A 108 -5.147 -6.329 0.726 1.00 0.00 C ATOM 483 O LYS A 108 -5.283 -6.367 -0.497 1.00 0.00 O ATOM 484 CB LYS A 108 -3.702 -7.955 1.957 1.00 0.00 C ATOM 485 CG LYS A 108 -3.623 -9.142 2.900 1.00 0.00 C ATOM 486 CD LYS A 108 -2.411 -9.063 3.811 1.00 0.00 C ATOM 487 CE LYS A 108 -1.113 -9.107 3.034 1.00 0.00 C ATOM 488 NZ LYS A 108 0.057 -9.268 3.930 1.00 0.00 N ATOM 0 H LYS A 108 -5.423 -8.694 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.714 -7.469 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.110 -8.168 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.251 -7.088 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.529 -9.186 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.582 -10.064 2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.454 -8.142 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.437 -9.890 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.143 -9.932 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.004 -8.190 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.932 -9.108 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.002 -8.578 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.064 -10.231 4.323 1.00 0.00 H new ATOM 502 N TYR A 109 -5.023 -5.213 1.394 1.00 0.00 N ATOM 503 CA TYR A 109 -5.045 -3.934 0.728 1.00 0.00 C ATOM 504 C TYR A 109 -4.067 -2.974 1.375 1.00 0.00 C ATOM 505 O TYR A 109 -3.468 -3.286 2.402 1.00 0.00 O ATOM 506 CB TYR A 109 -6.457 -3.349 0.722 1.00 0.00 C ATOM 507 CG TYR A 109 -6.936 -2.808 2.050 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.290 -3.653 3.095 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.056 -1.444 2.245 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.746 -3.144 4.296 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.506 -0.929 3.437 1.00 0.00 C ATOM 512 CZ TYR A 109 -7.852 -1.781 4.460 1.00 0.00 C ATOM 513 OH TYR A 109 -8.307 -1.263 5.654 1.00 0.00 O ATOM 0 H TYR A 109 -4.905 -5.162 2.406 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.737 -4.085 -0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.497 -2.547 -0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.151 -4.121 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.208 -4.722 2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.791 -0.770 1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.018 -3.811 5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.588 0.140 3.570 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.320 -0.284 5.602 1.00 0.00 H new ATOM 523 N ILE A 110 -3.899 -1.820 0.780 1.00 0.00 N ATOM 524 CA ILE A 110 -3.015 -0.818 1.318 1.00 0.00 C ATOM 525 C ILE A 110 -3.736 0.510 1.383 1.00 0.00 C ATOM 526 O ILE A 110 -4.500 0.849 0.484 1.00 0.00 O ATOM 527 CB ILE A 110 -1.721 -0.630 0.468 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.150 -1.971 -0.011 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.671 0.124 1.269 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.711 -2.429 -1.344 1.00 0.00 C ATOM 0 H ILE A 110 -4.368 -1.550 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.720 -1.161 2.310 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.992 -0.050 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.066 -1.887 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.355 -2.733 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.227 0.249 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.060 1.103 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.427 -0.439 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.262 -3.383 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.792 -2.546 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.483 -1.687 -2.109 1.00 0.00 H new ATOM 542 N ILE A 111 -3.513 1.249 2.443 1.00 0.00 N ATOM 543 CA ILE A 111 -4.104 2.558 2.579 1.00 0.00 C ATOM 544 C ILE A 111 -3.092 3.584 2.152 1.00 0.00 C ATOM 545 O ILE A 111 -2.014 3.681 2.753 1.00 0.00 O ATOM 546 CB ILE A 111 -4.554 2.880 4.037 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.569 1.858 4.550 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.144 4.283 4.113 1.00 0.00 C ATOM 549 CD1 ILE A 111 -4.950 0.602 5.111 1.00 0.00 C ATOM 0 H ILE A 111 -2.925 0.965 3.226 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.997 2.579 1.954 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.671 2.827 4.674 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.180 2.325 5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.239 1.587 3.734 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.453 4.493 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.393 5.011 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.008 4.351 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.737 -0.070 5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.362 0.109 4.337 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.303 0.859 5.949 1.00 0.00 H new ATOM 561 N CYS A 112 -3.405 4.340 1.126 1.00 0.00 N ATOM 562 CA CYS A 112 -2.494 5.347 0.656 1.00 0.00 C ATOM 563 C CYS A 112 -2.887 6.683 1.242 1.00 0.00 C ATOM 564 O CYS A 112 -4.011 7.149 1.052 1.00 0.00 O ATOM 565 CB CYS A 112 -2.512 5.409 -0.869 1.00 0.00 C ATOM 566 SG CYS A 112 -2.119 3.826 -1.681 1.00 0.00 S ATOM 0 H CYS A 112 -4.280 4.275 0.606 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.482 5.097 0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.498 5.739 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.797 6.162 -1.200 1.00 0.00 H new ATOM 571 N SER A 113 -1.974 7.289 1.953 1.00 0.00 N ATOM 572 CA SER A 113 -2.222 8.560 2.574 1.00 0.00 C ATOM 573 C SER A 113 -1.179 9.560 2.124 1.00 0.00 C ATOM 574 O SER A 113 0.002 9.239 2.041 1.00 0.00 O ATOM 575 CB SER A 113 -2.192 8.403 4.094 1.00 0.00 C ATOM 576 OG SER A 113 -3.069 7.363 4.512 1.00 0.00 O ATOM 0 H SER A 113 -1.039 6.915 2.117 1.00 0.00 H new ATOM 0 HA SER A 113 -3.206 8.925 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.176 8.182 4.421 1.00 0.00 H new ATOM 0 HB3 SER A 113 -2.482 9.341 4.567 1.00 0.00 H new ATOM 0 HG SER A 113 -3.034 7.278 5.488 1.00 0.00 H new ATOM 582 N LYS A 114 -1.607 10.751 1.819 1.00 0.00 N ATOM 583 CA LYS A 114 -0.702 11.769 1.371 1.00 0.00 C ATOM 584 C LYS A 114 -0.579 12.877 2.392 1.00 0.00 C ATOM 585 O LYS A 114 -1.514 13.650 2.610 1.00 0.00 O ATOM 586 CB LYS A 114 -1.139 12.323 0.019 1.00 0.00 C ATOM 587 CG LYS A 114 -0.340 13.530 -0.448 1.00 0.00 C ATOM 588 CD LYS A 114 -0.670 13.880 -1.884 1.00 0.00 C ATOM 589 CE LYS A 114 0.007 12.923 -2.844 1.00 0.00 C ATOM 590 NZ LYS A 114 -0.656 12.908 -4.166 1.00 0.00 N ATOM 0 H LYS A 114 -2.583 11.042 1.873 1.00 0.00 H new ATOM 0 HA LYS A 114 0.282 11.315 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.055 11.534 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.192 12.598 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.554 14.383 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 114 0.726 13.322 -0.357 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.749 13.846 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.351 14.900 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.052 13.209 -2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.002 11.918 -2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.338 12.077 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.687 12.863 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.410 13.773 -4.688 1.00 0.00 H new ATOM 604 N SER A 115 0.566 12.938 3.022 1.00 0.00 N ATOM 605 CA SER A 115 0.856 13.970 3.969 1.00 0.00 C ATOM 606 C SER A 115 1.540 15.100 3.226 1.00 0.00 C ATOM 607 O SER A 115 2.767 15.114 3.077 1.00 0.00 O ATOM 608 CB SER A 115 1.758 13.430 5.082 1.00 0.00 C ATOM 609 OG SER A 115 1.882 14.358 6.150 1.00 0.00 O ATOM 0 H SER A 115 1.323 12.268 2.888 1.00 0.00 H new ATOM 0 HA SER A 115 -0.061 14.330 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.350 12.492 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.745 13.208 4.676 1.00 0.00 H new ATOM 0 HG SER A 115 2.463 13.982 6.844 1.00 0.00 H new ATOM 615 N GLY A 116 0.743 16.010 2.709 1.00 0.00 N ATOM 616 CA GLY A 116 1.280 17.083 1.919 1.00 0.00 C ATOM 617 C GLY A 116 1.745 16.575 0.573 1.00 0.00 C ATOM 618 O GLY A 116 0.941 16.390 -0.339 1.00 0.00 O ATOM 0 H GLY A 116 -0.270 16.024 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.522 17.854 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.114 17.547 2.446 1.00 0.00 H new ATOM 622 N SER A 117 3.038 16.362 0.442 1.00 0.00 N ATOM 623 CA SER A 117 3.606 15.831 -0.783 1.00 0.00 C ATOM 624 C SER A 117 4.255 14.457 -0.548 1.00 0.00 C ATOM 625 O SER A 117 4.872 13.888 -1.447 1.00 0.00 O ATOM 626 CB SER A 117 4.623 16.810 -1.350 1.00 0.00 C ATOM 627 OG SER A 117 5.566 17.197 -0.359 1.00 0.00 O ATOM 0 H SER A 117 3.722 16.550 1.175 1.00 0.00 H new ATOM 0 HA SER A 117 2.799 15.697 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.142 16.353 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.110 17.692 -1.733 1.00 0.00 H new ATOM 0 HG SER A 117 6.210 17.825 -0.748 1.00 0.00 H new ATOM 633 N LEU A 118 4.092 13.921 0.655 1.00 0.00 N ATOM 634 CA LEU A 118 4.743 12.662 1.023 1.00 0.00 C ATOM 635 C LEU A 118 3.722 11.553 1.230 1.00 0.00 C ATOM 636 O LEU A 118 2.684 11.761 1.856 1.00 0.00 O ATOM 637 CB LEU A 118 5.581 12.847 2.295 1.00 0.00 C ATOM 638 CG LEU A 118 6.387 11.624 2.751 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.403 11.218 1.691 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.081 11.909 4.073 1.00 0.00 C ATOM 0 H LEU A 118 3.519 14.333 1.391 1.00 0.00 H new ATOM 0 HA LEU A 118 5.398 12.373 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.272 13.674 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.915 13.142 3.106 1.00 0.00 H new ATOM 0 HG LEU A 118 5.695 10.794 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.962 10.349 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.884 10.970 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.091 12.044 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.648 11.031 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.758 12.755 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.335 12.145 4.832 1.00 0.00 H new ATOM 652 N TRP A 119 4.018 10.382 0.696 1.00 0.00 N ATOM 653 CA TRP A 119 3.121 9.246 0.819 1.00 0.00 C ATOM 654 C TRP A 119 3.401 8.415 2.066 1.00 0.00 C ATOM 655 O TRP A 119 4.547 8.074 2.365 1.00 0.00 O ATOM 656 CB TRP A 119 3.243 8.329 -0.398 1.00 0.00 C ATOM 657 CG TRP A 119 2.791 8.928 -1.687 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.565 9.557 -2.614 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.459 8.933 -2.203 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.797 9.950 -3.678 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.499 9.581 -3.449 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.235 8.452 -1.730 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.363 9.758 -4.230 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.891 8.631 -2.505 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.820 9.277 -3.744 1.00 0.00 C ATOM 0 H TRP A 119 4.873 10.192 0.173 1.00 0.00 H new ATOM 0 HA TRP A 119 2.115 9.660 0.891 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.284 8.025 -0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.664 7.425 -0.212 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.629 9.722 -2.524 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.137 10.438 -4.506 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.172 7.950 -0.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.413 10.258 -5.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.844 8.267 -2.150 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.720 9.398 -4.329 1.00 0.00 H new ATOM 676 N TYR A 120 2.345 8.116 2.789 1.00 0.00 N ATOM 677 CA TYR A 120 2.385 7.175 3.886 1.00 0.00 C ATOM 678 C TYR A 120 1.437 6.041 3.574 1.00 0.00 C ATOM 679 O TYR A 120 0.256 6.269 3.310 1.00 0.00 O ATOM 680 CB TYR A 120 1.984 7.830 5.200 1.00 0.00 C ATOM 681 CG TYR A 120 3.029 8.752 5.773 1.00 0.00 C ATOM 682 CD1 TYR A 120 3.087 10.088 5.405 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.956 8.283 6.689 1.00 0.00 C ATOM 684 CE1 TYR A 120 4.041 10.930 5.936 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.914 9.119 7.225 1.00 0.00 C ATOM 686 CZ TYR A 120 4.952 10.441 6.844 1.00 0.00 C ATOM 687 OH TYR A 120 5.900 11.281 7.377 1.00 0.00 O ATOM 0 H TYR A 120 1.424 8.524 2.630 1.00 0.00 H new ATOM 0 HA TYR A 120 3.405 6.808 3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.063 8.393 5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.763 7.051 5.929 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.374 10.475 4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.929 7.246 6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.073 11.968 5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 120 5.629 8.738 7.939 1.00 0.00 H new ATOM 0 HH TYR A 120 6.466 10.781 8.002 1.00 0.00 H new ATOM 697 N ILE A 121 1.938 4.836 3.585 1.00 0.00 N ATOM 698 CA ILE A 121 1.117 3.694 3.230 1.00 0.00 C ATOM 699 C ILE A 121 1.107 2.646 4.330 1.00 0.00 C ATOM 700 O ILE A 121 2.091 2.471 5.049 1.00 0.00 O ATOM 701 CB ILE A 121 1.549 3.059 1.862 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.910 2.349 1.956 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.589 4.120 0.773 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.811 0.876 2.323 1.00 0.00 C ATOM 0 H ILE A 121 2.902 4.613 3.833 1.00 0.00 H new ATOM 0 HA ILE A 121 0.100 4.068 3.112 1.00 0.00 H new ATOM 0 HB ILE A 121 0.802 2.307 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.424 2.442 0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.524 2.858 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.890 3.663 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.600 4.564 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.305 4.895 1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.811 0.445 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.326 0.775 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.225 0.352 1.568 1.00 0.00 H new ATOM 716 N THR A 122 -0.010 1.972 4.465 1.00 0.00 N ATOM 717 CA THR A 122 -0.161 0.925 5.452 1.00 0.00 C ATOM 718 C THR A 122 -0.883 -0.260 4.825 1.00 0.00 C ATOM 719 O THR A 122 -1.987 -0.104 4.309 1.00 0.00 O ATOM 720 CB THR A 122 -0.975 1.433 6.664 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.437 2.684 7.124 1.00 0.00 O ATOM 722 CG2 THR A 122 -0.945 0.419 7.798 1.00 0.00 C ATOM 0 H THR A 122 -0.841 2.132 3.895 1.00 0.00 H new ATOM 0 HA THR A 122 0.829 0.622 5.794 1.00 0.00 H new ATOM 0 HB THR A 122 -2.009 1.573 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.958 3.002 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.524 0.798 8.640 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.375 -0.522 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.086 0.254 8.112 1.00 0.00 H new ATOM 730 N VAL A 123 -0.269 -1.432 4.848 1.00 0.00 N ATOM 731 CA VAL A 123 -0.891 -2.605 4.257 1.00 0.00 C ATOM 732 C VAL A 123 -1.682 -3.400 5.303 1.00 0.00 C ATOM 733 O VAL A 123 -1.120 -3.951 6.246 1.00 0.00 O ATOM 734 CB VAL A 123 0.143 -3.517 3.527 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.312 -3.881 4.435 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.532 -4.769 2.983 1.00 0.00 C ATOM 0 H VAL A 123 0.648 -1.596 5.264 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.590 -2.245 3.502 1.00 0.00 H new ATOM 0 HB VAL A 123 0.546 -2.951 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.011 -4.517 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.822 -2.972 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.941 -4.415 5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.207 -5.391 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.976 -5.329 3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.311 -4.484 2.276 1.00 0.00 H new ATOM 746 N MET A 124 -2.992 -3.429 5.131 1.00 0.00 N ATOM 747 CA MET A 124 -3.882 -4.126 6.051 1.00 0.00 C ATOM 748 C MET A 124 -4.598 -5.254 5.321 1.00 0.00 C ATOM 749 O MET A 124 -4.797 -5.182 4.116 1.00 0.00 O ATOM 750 CB MET A 124 -4.924 -3.155 6.629 1.00 0.00 C ATOM 751 CG MET A 124 -4.346 -1.922 7.321 1.00 0.00 C ATOM 752 SD MET A 124 -3.938 -2.169 9.070 1.00 0.00 S ATOM 753 CE MET A 124 -2.500 -3.230 8.976 1.00 0.00 C ATOM 0 H MET A 124 -3.470 -2.973 4.354 1.00 0.00 H new ATOM 0 HA MET A 124 -3.286 -4.535 6.866 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.579 -2.826 5.822 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.545 -3.696 7.343 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.446 -1.611 6.791 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.063 -1.105 7.239 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.925 -3.147 9.899 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.819 -4.263 8.839 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.879 -2.927 8.133 1.00 0.00 H new ATOM 763 N PRO A 125 -4.971 -6.318 6.026 1.00 0.00 N ATOM 764 CA PRO A 125 -5.695 -7.425 5.436 1.00 0.00 C ATOM 765 C PRO A 125 -7.214 -7.262 5.558 1.00 0.00 C ATOM 766 O PRO A 125 -7.713 -6.601 6.479 1.00 0.00 O ATOM 767 CB PRO A 125 -5.224 -8.605 6.277 1.00 0.00 C ATOM 768 CG PRO A 125 -4.994 -8.028 7.641 1.00 0.00 C ATOM 769 CD PRO A 125 -4.689 -6.555 7.455 1.00 0.00 C ATOM 0 HA PRO A 125 -5.508 -7.524 4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.972 -9.397 6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.311 -9.041 5.872 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.874 -8.163 8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.166 -8.533 8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.314 -5.933 8.095 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.652 -6.326 7.702 1.00 0.00 H new ATOM 777 N CYS A 126 -7.940 -7.831 4.617 1.00 0.00 N ATOM 778 CA CYS A 126 -9.389 -7.845 4.690 1.00 0.00 C ATOM 779 C CYS A 126 -9.832 -9.018 5.530 1.00 0.00 C ATOM 780 O CYS A 126 -9.025 -9.902 5.843 1.00 0.00 O ATOM 781 CB CYS A 126 -10.020 -7.959 3.300 1.00 0.00 C ATOM 782 SG CYS A 126 -9.978 -6.431 2.299 1.00 0.00 S ATOM 0 H CYS A 126 -7.552 -8.290 3.793 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.716 -6.906 5.138 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.508 -8.749 2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -11.058 -8.271 3.414 1.00 0.00 H new ATOM 787 N SER A 127 -11.094 -9.036 5.898 1.00 0.00 N ATOM 788 CA SER A 127 -11.637 -10.139 6.646 1.00 0.00 C ATOM 789 C SER A 127 -11.488 -11.431 5.841 1.00 0.00 C ATOM 790 O SER A 127 -11.580 -11.415 4.608 1.00 0.00 O ATOM 791 CB SER A 127 -13.099 -9.861 6.984 1.00 0.00 C ATOM 792 OG SER A 127 -13.813 -9.390 5.849 1.00 0.00 O ATOM 0 H SER A 127 -11.762 -8.295 5.689 1.00 0.00 H new ATOM 0 HA SER A 127 -11.089 -10.257 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.567 -10.772 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.155 -9.122 7.783 1.00 0.00 H new ATOM 0 HG SER A 127 -13.392 -9.731 5.033 1.00 0.00 H new ATOM 798 N ILE A 128 -11.232 -12.524 6.519 1.00 0.00 N ATOM 799 CA ILE A 128 -11.033 -13.797 5.854 1.00 0.00 C ATOM 800 C ILE A 128 -12.284 -14.189 5.075 1.00 0.00 C ATOM 801 O ILE A 128 -13.377 -14.307 5.638 1.00 0.00 O ATOM 802 CB ILE A 128 -10.622 -14.928 6.852 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.193 -14.695 7.396 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.704 -16.296 6.183 1.00 0.00 C ATOM 805 CD1 ILE A 128 -9.037 -13.465 8.276 1.00 0.00 C ATOM 0 H ILE A 128 -11.156 -12.561 7.535 1.00 0.00 H new ATOM 0 HA ILE A 128 -10.205 -13.675 5.156 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.321 -14.902 7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.889 -15.573 7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.508 -14.610 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.414 -17.068 6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.726 -16.477 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -10.031 -16.323 5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -8.002 -13.385 8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.305 -12.574 7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.692 -13.552 9.143 1.00 0.00 H new ATOM 817 N GLY A 129 -12.113 -14.396 3.786 1.00 0.00 N ATOM 818 CA GLY A 129 -13.232 -14.695 2.935 1.00 0.00 C ATOM 819 C GLY A 129 -13.672 -13.509 2.095 1.00 0.00 C ATOM 820 O GLY A 129 -14.652 -13.605 1.355 1.00 0.00 O ATOM 0 H GLY A 129 -11.211 -14.362 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.969 -15.522 2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -14.069 -15.029 3.548 1.00 0.00 H new ATOM 824 N THR A 130 -12.972 -12.383 2.209 1.00 0.00 N ATOM 825 CA THR A 130 -13.328 -11.200 1.432 1.00 0.00 C ATOM 826 C THR A 130 -12.124 -10.656 0.643 1.00 0.00 C ATOM 827 O THR A 130 -10.966 -10.950 0.966 1.00 0.00 O ATOM 828 CB THR A 130 -13.902 -10.075 2.330 1.00 0.00 C ATOM 829 OG1 THR A 130 -12.935 -9.675 3.307 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.168 -10.538 3.033 1.00 0.00 C ATOM 0 H THR A 130 -12.166 -12.265 2.823 1.00 0.00 H new ATOM 0 HA THR A 130 -14.098 -11.516 0.728 1.00 0.00 H new ATOM 0 HB THR A 130 -14.143 -9.226 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.270 -10.386 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.553 -9.732 3.658 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.918 -10.811 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 130 -14.942 -11.404 3.656 1.00 0.00 H new ATOM 838 N LYS A 131 -12.416 -9.868 -0.382 1.00 0.00 N ATOM 839 CA LYS A 131 -11.401 -9.256 -1.237 1.00 0.00 C ATOM 840 C LYS A 131 -11.622 -7.748 -1.285 1.00 0.00 C ATOM 841 O LYS A 131 -12.761 -7.285 -1.234 1.00 0.00 O ATOM 842 CB LYS A 131 -11.493 -9.837 -2.653 1.00 0.00 C ATOM 843 CG LYS A 131 -12.893 -9.760 -3.250 1.00 0.00 C ATOM 844 CD LYS A 131 -12.963 -10.411 -4.615 1.00 0.00 C ATOM 845 CE LYS A 131 -14.343 -10.239 -5.232 1.00 0.00 C ATOM 846 NZ LYS A 131 -14.419 -10.791 -6.606 1.00 0.00 N ATOM 0 H LYS A 131 -13.372 -9.632 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.412 -9.466 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.799 -9.303 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -11.172 -10.878 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.601 -10.247 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.196 -8.716 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -12.211 -9.972 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.729 -11.472 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -15.084 -10.733 -4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -14.599 -9.180 -5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -15.378 -10.650 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -13.732 -10.303 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -14.201 -11.808 -6.584 1.00 0.00 H new ATOM 860 N PHE A 132 -10.552 -6.984 -1.367 1.00 0.00 N ATOM 861 CA PHE A 132 -10.669 -5.534 -1.401 1.00 0.00 C ATOM 862 C PHE A 132 -10.902 -5.022 -2.824 1.00 0.00 C ATOM 863 O PHE A 132 -10.275 -5.486 -3.775 1.00 0.00 O ATOM 864 CB PHE A 132 -9.423 -4.888 -0.802 1.00 0.00 C ATOM 865 CG PHE A 132 -9.607 -3.446 -0.421 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.122 -3.108 0.817 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.258 -2.433 -1.291 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.285 -1.789 1.179 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.419 -1.110 -0.936 1.00 0.00 C ATOM 870 CZ PHE A 132 -9.932 -0.789 0.301 1.00 0.00 C ATOM 0 H PHE A 132 -9.596 -7.336 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.536 -5.256 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.123 -5.451 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.606 -4.962 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.400 -3.889 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.854 -2.679 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -10.689 -1.540 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.143 -0.327 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.057 0.246 0.582 1.00 0.00 H new ATOM 880 N ASP A 133 -11.806 -4.066 -2.956 1.00 0.00 N ATOM 881 CA ASP A 133 -12.123 -3.468 -4.253 1.00 0.00 C ATOM 882 C ASP A 133 -11.474 -2.092 -4.371 1.00 0.00 C ATOM 883 O ASP A 133 -11.575 -1.279 -3.455 1.00 0.00 O ATOM 884 CB ASP A 133 -13.643 -3.356 -4.433 1.00 0.00 C ATOM 885 CG ASP A 133 -14.034 -2.824 -5.797 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.127 -1.587 -5.957 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.257 -3.640 -6.716 1.00 0.00 O ATOM 0 H ASP A 133 -12.340 -3.681 -2.177 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.727 -4.111 -5.039 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.095 -4.337 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.048 -2.701 -3.662 1.00 0.00 H new ATOM 892 N PRO A 134 -10.796 -1.818 -5.501 1.00 0.00 N ATOM 893 CA PRO A 134 -10.074 -0.554 -5.719 1.00 0.00 C ATOM 894 C PRO A 134 -10.978 0.669 -5.889 1.00 0.00 C ATOM 895 O PRO A 134 -10.712 1.720 -5.316 1.00 0.00 O ATOM 896 CB PRO A 134 -9.290 -0.809 -7.011 1.00 0.00 C ATOM 897 CG PRO A 134 -10.060 -1.864 -7.721 1.00 0.00 C ATOM 898 CD PRO A 134 -10.667 -2.731 -6.655 1.00 0.00 C ATOM 0 HA PRO A 134 -9.461 -0.311 -4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.213 0.097 -7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.273 -1.137 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.833 -1.424 -8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.410 -2.447 -8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.634 -3.128 -6.963 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.031 -3.585 -6.422 1.00 0.00 H new ATOM 906 N ILE A 135 -12.024 0.541 -6.683 1.00 0.00 N ATOM 907 CA ILE A 135 -12.895 1.675 -6.967 1.00 0.00 C ATOM 908 C ILE A 135 -13.802 2.011 -5.785 1.00 0.00 C ATOM 909 O ILE A 135 -13.920 3.174 -5.396 1.00 0.00 O ATOM 910 CB ILE A 135 -13.743 1.437 -8.238 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.831 1.075 -9.424 1.00 0.00 C ATOM 912 CG2 ILE A 135 -14.587 2.665 -8.565 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.702 2.067 -9.666 1.00 0.00 C ATOM 0 H ILE A 135 -12.294 -0.329 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.241 2.529 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.420 0.603 -8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -12.402 0.088 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.438 1.004 -10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.175 2.474 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.256 2.879 -7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -13.934 3.521 -8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.106 1.740 -10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.121 3.052 -9.873 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.069 2.121 -8.780 1.00 0.00 H new ATOM 925 N SER A 136 -14.421 1.000 -5.210 1.00 0.00 N ATOM 926 CA SER A 136 -15.305 1.209 -4.081 1.00 0.00 C ATOM 927 C SER A 136 -14.489 1.473 -2.815 1.00 0.00 C ATOM 928 O SER A 136 -14.920 2.214 -1.927 1.00 0.00 O ATOM 929 CB SER A 136 -16.224 -0.004 -3.897 1.00 0.00 C ATOM 930 OG SER A 136 -17.128 0.183 -2.821 1.00 0.00 O ATOM 0 H SER A 136 -14.329 0.028 -5.505 1.00 0.00 H new ATOM 0 HA SER A 136 -15.928 2.082 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 136 -16.783 -0.180 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 136 -15.621 -0.894 -3.716 1.00 0.00 H new ATOM 0 HG SER A 136 -16.924 -0.457 -2.107 1.00 0.00 H new ATOM 936 N ARG A 137 -13.305 0.857 -2.754 1.00 0.00 N ATOM 937 CA ARG A 137 -12.375 1.014 -1.635 1.00 0.00 C ATOM 938 C ARG A 137 -12.944 0.417 -0.352 1.00 0.00 C ATOM 939 O ARG A 137 -13.161 1.111 0.638 1.00 0.00 O ATOM 940 CB ARG A 137 -11.954 2.482 -1.439 1.00 0.00 C ATOM 941 CG ARG A 137 -11.241 3.074 -2.650 1.00 0.00 C ATOM 942 CD ARG A 137 -10.678 4.458 -2.367 1.00 0.00 C ATOM 943 NE ARG A 137 -11.714 5.401 -1.956 1.00 0.00 N ATOM 944 CZ ARG A 137 -11.549 6.724 -1.870 1.00 0.00 C ATOM 945 NH1 ARG A 137 -10.381 7.283 -2.193 1.00 0.00 N ATOM 946 NH2 ARG A 137 -12.557 7.486 -1.468 1.00 0.00 N ATOM 0 H ARG A 137 -12.964 0.232 -3.484 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.473 0.456 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.839 3.080 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -11.299 2.552 -0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -10.432 2.410 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -11.937 3.131 -3.487 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.922 4.388 -1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.179 4.835 -3.260 1.00 0.00 H new ATOM 0 HE ARG A 137 -12.630 5.022 -1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -9.606 6.699 -2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -10.263 8.294 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.452 7.061 -1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.437 8.497 -1.400 1.00 0.00 H new ATOM 960 N ASN A 138 -13.177 -0.885 -0.392 1.00 0.00 N ATOM 961 CA ASN A 138 -13.714 -1.633 0.746 1.00 0.00 C ATOM 962 C ASN A 138 -13.519 -3.119 0.500 1.00 0.00 C ATOM 963 O ASN A 138 -13.112 -3.510 -0.593 1.00 0.00 O ATOM 964 CB ASN A 138 -15.213 -1.326 0.970 1.00 0.00 C ATOM 965 CG ASN A 138 -16.140 -1.912 -0.102 1.00 0.00 C ATOM 966 OD1 ASN A 138 -15.693 -1.941 -1.342 1.00 0.00 O flip ATOM 967 ND2 ASN A 138 -17.256 -2.318 0.195 1.00 0.00 N flip ATOM 0 H ASN A 138 -13.000 -1.460 -1.216 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.178 -1.329 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.511 -1.714 1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.350 -0.245 1.002 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.571 -2.281 1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -17.871 -2.693 -0.527 1.00 0.00 H new ATOM 974 N CYS A 139 -13.805 -3.941 1.488 1.00 0.00 N ATOM 975 CA CYS A 139 -13.666 -5.377 1.316 1.00 0.00 C ATOM 976 C CYS A 139 -15.032 -5.997 1.066 1.00 0.00 C ATOM 977 O CYS A 139 -15.964 -5.822 1.858 1.00 0.00 O ATOM 978 CB CYS A 139 -13.017 -6.024 2.557 1.00 0.00 C ATOM 979 SG CYS A 139 -11.443 -5.253 3.093 1.00 0.00 S ATOM 0 H CYS A 139 -14.131 -3.647 2.409 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.018 -5.559 0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.726 -5.981 3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.836 -7.078 2.347 1.00 0.00 H new ATOM 984 N VAL A 140 -15.146 -6.713 -0.034 1.00 0.00 N ATOM 985 CA VAL A 140 -16.385 -7.366 -0.411 1.00 0.00 C ATOM 986 C VAL A 140 -16.206 -8.870 -0.365 1.00 0.00 C ATOM 987 O VAL A 140 -15.080 -9.356 -0.324 1.00 0.00 O ATOM 988 CB VAL A 140 -16.852 -6.941 -1.828 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.144 -5.448 -1.871 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.811 -7.314 -2.879 1.00 0.00 C ATOM 0 H VAL A 140 -14.382 -6.859 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.152 -7.060 0.301 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.772 -7.479 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.470 -5.170 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.930 -5.210 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.241 -4.893 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.162 -7.006 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.871 -6.810 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.656 -8.393 -2.870 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.303 -9.599 -0.369 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.252 -11.051 -0.291 1.00 0.00 C ATOM 1002 C LEU A 141 -16.444 -11.652 -1.441 1.00 0.00 C ATOM 1003 O LEU A 141 -16.725 -11.402 -2.611 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.659 -11.640 -0.282 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.735 -13.142 -0.014 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -18.244 -13.459 1.389 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -20.148 -13.646 -0.212 1.00 0.00 C ATOM 0 H LEU A 141 -18.245 -9.212 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.751 -11.306 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.247 -11.122 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -19.127 -11.435 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 141 -18.087 -13.652 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -18.305 -14.533 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -17.209 -13.133 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -18.865 -12.938 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -20.183 -14.718 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -20.818 -13.130 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -20.462 -13.454 -1.238 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.434 -12.428 -1.092 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.607 -13.097 -2.075 1.00 0.00 C ATOM 1021 C ASP A 142 -15.144 -14.489 -2.329 1.00 0.00 C ATOM 1022 O ASP A 142 -14.901 -15.416 -1.549 1.00 0.00 O ATOM 1023 CB ASP A 142 -13.151 -13.165 -1.611 1.00 0.00 C ATOM 1024 CG ASP A 142 -12.275 -13.972 -2.548 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -12.296 -13.710 -3.762 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.549 -14.869 -2.067 1.00 0.00 O ATOM 0 H ASP A 142 -15.166 -12.610 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.637 -12.525 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.753 -12.154 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -13.112 -13.605 -0.615 1.00 0.00 H new