USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=19 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 -130:sc= -1.59! USER MOD Set 1.2: A 138 ASN : amide:sc= -1.13 K(o=-2.7,f=-1.8) USER MOD Set 2.1: A 105 ASN : amide:sc= 1.78 K(o=2.7,f=-13!) USER MOD Set 2.2: A 108 LYS NZ :NH3+ 159:sc= 0.946! (180deg=-1.61!) USER MOD Single : A 84 HIS : no HE2:sc= 0.24 K(o=0.24,f=-3.3!) USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= -0.0618 (180deg=-0.316) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 1.08 K(o=1.1,f=-6.1!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-4.4!) USER MOD Single : A 107 HIS : no HE2:sc= -0.842 X(o=-0.84,f=-1.1) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -13:sc= 0.355 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 153:sc= 0.789 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= -0.0777 USER MOD Single : A 124 MET CE :methyl 152:sc= -1.21 (180deg=-3.12!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -6:sc= 0.871 USER MOD Single : A 131 LYS NZ :NH3+ 172:sc= 0.0665 (180deg=0.055) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 6.708 3.863 -3.784 1.00 0.00 N ATOM 62 CA ASP A 80 6.821 2.448 -4.118 1.00 0.00 C ATOM 63 C ASP A 80 7.482 1.715 -2.958 1.00 0.00 C ATOM 64 O ASP A 80 8.707 1.723 -2.815 1.00 0.00 O ATOM 65 CB ASP A 80 7.632 2.241 -5.412 1.00 0.00 C ATOM 66 CG ASP A 80 7.700 0.776 -5.844 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.586 0.039 -5.357 1.00 0.00 O ATOM 68 OD2 ASP A 80 6.881 0.361 -6.688 1.00 0.00 O ATOM 0 HA ASP A 80 5.822 2.047 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.185 2.830 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.644 2.618 -5.265 1.00 0.00 H new ATOM 73 N LEU A 81 6.664 1.138 -2.112 1.00 0.00 N ATOM 74 CA LEU A 81 7.134 0.415 -0.944 1.00 0.00 C ATOM 75 C LEU A 81 7.053 -1.078 -1.216 1.00 0.00 C ATOM 76 O LEU A 81 6.037 -1.570 -1.673 1.00 0.00 O ATOM 77 CB LEU A 81 6.282 0.823 0.289 1.00 0.00 C ATOM 78 CG LEU A 81 6.669 0.234 1.668 1.00 0.00 C ATOM 79 CD1 LEU A 81 6.069 -1.146 1.874 1.00 0.00 C ATOM 80 CD2 LEU A 81 8.184 0.200 1.850 1.00 0.00 C ATOM 0 H LEU A 81 5.649 1.154 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 81 8.174 0.664 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.311 1.910 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.247 0.546 0.086 1.00 0.00 H new ATOM 0 HG LEU A 81 6.253 0.894 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.362 -1.528 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.982 -1.082 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.432 -1.820 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.424 -0.219 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.630 -0.418 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.582 1.213 1.782 1.00 0.00 H new ATOM 92 N ILE A 82 8.123 -1.797 -0.949 1.00 0.00 N ATOM 93 CA ILE A 82 8.145 -3.220 -1.221 1.00 0.00 C ATOM 94 C ILE A 82 7.799 -4.008 0.035 1.00 0.00 C ATOM 95 O ILE A 82 8.197 -3.632 1.142 1.00 0.00 O ATOM 96 CB ILE A 82 9.530 -3.681 -1.727 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.133 -2.650 -2.679 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.402 -5.018 -2.433 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.529 -3.004 -3.141 1.00 0.00 C ATOM 0 H ILE A 82 8.983 -1.424 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 82 7.404 -3.408 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 82 10.192 -3.785 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.485 -2.547 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.157 -1.679 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.382 -5.338 -2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.008 -5.760 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.724 -4.918 -3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.897 -2.230 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.190 -3.078 -2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.508 -3.960 -3.665 1.00 0.00 H new ATOM 111 N VAL A 83 7.087 -5.105 -0.137 1.00 0.00 N ATOM 112 CA VAL A 83 6.691 -5.953 0.974 1.00 0.00 C ATOM 113 C VAL A 83 6.956 -7.403 0.625 1.00 0.00 C ATOM 114 O VAL A 83 7.219 -7.731 -0.534 1.00 0.00 O ATOM 115 CB VAL A 83 5.188 -5.797 1.331 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.902 -4.419 1.893 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.314 -6.071 0.118 1.00 0.00 C ATOM 0 H VAL A 83 6.767 -5.434 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 83 7.279 -5.645 1.838 1.00 0.00 H new ATOM 0 HB VAL A 83 4.949 -6.532 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.842 -4.337 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.493 -4.264 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.165 -3.663 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.265 -5.956 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.561 -5.366 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.488 -7.088 -0.233 1.00 0.00 H new ATOM 127 N HIS A 84 6.895 -8.261 1.611 1.00 0.00 N ATOM 128 CA HIS A 84 7.101 -9.673 1.381 1.00 0.00 C ATOM 129 C HIS A 84 5.795 -10.434 1.477 1.00 0.00 C ATOM 130 O HIS A 84 5.164 -10.481 2.532 1.00 0.00 O ATOM 131 CB HIS A 84 8.139 -10.265 2.344 1.00 0.00 C ATOM 132 CG HIS A 84 9.551 -9.851 2.058 1.00 0.00 C ATOM 133 ND1 HIS A 84 10.439 -10.627 1.337 1.00 0.00 N ATOM 134 CD2 HIS A 84 10.234 -8.741 2.410 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.600 -10.009 1.265 1.00 0.00 C ATOM 136 NE2 HIS A 84 11.502 -8.864 1.907 1.00 0.00 N ATOM 0 H HIS A 84 6.705 -8.010 2.581 1.00 0.00 H new ATOM 0 HA HIS A 84 7.492 -9.779 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.885 -9.968 3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.076 -11.352 2.304 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.228 -11.536 0.925 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.851 -7.909 2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.483 -10.379 0.764 1.00 0.00 H new ATOM 145 N GLU A 85 5.387 -10.998 0.365 1.00 0.00 N ATOM 146 CA GLU A 85 4.188 -11.809 0.295 1.00 0.00 C ATOM 147 C GLU A 85 4.604 -13.258 0.107 1.00 0.00 C ATOM 148 O GLU A 85 5.049 -13.646 -0.975 1.00 0.00 O ATOM 149 CB GLU A 85 3.313 -11.381 -0.888 1.00 0.00 C ATOM 150 CG GLU A 85 2.954 -9.902 -0.921 1.00 0.00 C ATOM 151 CD GLU A 85 1.950 -9.500 0.135 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.249 -10.378 0.672 1.00 0.00 O ATOM 153 OE2 GLU A 85 1.822 -8.294 0.399 1.00 0.00 O ATOM 0 H GLU A 85 5.879 -10.908 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 85 3.614 -11.685 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.830 -11.635 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.391 -11.963 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.862 -9.313 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.553 -9.656 -1.904 1.00 0.00 H new ATOM 160 N GLY A 86 4.509 -14.044 1.164 1.00 0.00 N ATOM 161 CA GLY A 86 4.917 -15.432 1.082 1.00 0.00 C ATOM 162 C GLY A 86 6.414 -15.553 0.902 1.00 0.00 C ATOM 163 O GLY A 86 6.910 -16.520 0.318 1.00 0.00 O ATOM 0 H GLY A 86 4.158 -13.750 2.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.613 -15.957 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.408 -15.915 0.248 1.00 0.00 H new ATOM 167 N GLY A 87 7.128 -14.552 1.396 1.00 0.00 N ATOM 168 CA GLY A 87 8.566 -14.525 1.280 1.00 0.00 C ATOM 169 C GLY A 87 9.043 -13.727 0.079 1.00 0.00 C ATOM 170 O GLY A 87 10.144 -13.174 0.092 1.00 0.00 O ATOM 0 H GLY A 87 6.727 -13.749 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.991 -14.097 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.939 -15.546 1.204 1.00 0.00 H new ATOM 174 N LYS A 88 8.194 -13.615 -0.936 1.00 0.00 N ATOM 175 CA LYS A 88 8.562 -12.941 -2.177 1.00 0.00 C ATOM 176 C LYS A 88 8.319 -11.446 -2.066 1.00 0.00 C ATOM 177 O LYS A 88 7.431 -11.011 -1.348 1.00 0.00 O ATOM 178 CB LYS A 88 7.766 -13.515 -3.350 1.00 0.00 C ATOM 179 CG LYS A 88 8.115 -14.953 -3.695 1.00 0.00 C ATOM 180 CD LYS A 88 9.522 -15.062 -4.259 1.00 0.00 C ATOM 181 CE LYS A 88 9.874 -16.497 -4.610 1.00 0.00 C ATOM 182 NZ LYS A 88 8.913 -17.088 -5.578 1.00 0.00 N ATOM 0 H LYS A 88 7.243 -13.983 -0.924 1.00 0.00 H new ATOM 0 HA LYS A 88 9.624 -13.109 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.703 -13.457 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.934 -12.891 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.030 -15.574 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.399 -15.339 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.607 -14.438 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.237 -14.679 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.879 -16.531 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.889 -17.099 -3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.317 -17.957 -5.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.023 -17.315 -5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.725 -16.406 -6.340 1.00 0.00 H new ATOM 196 N THR A 89 9.106 -10.668 -2.764 1.00 0.00 N ATOM 197 CA THR A 89 8.974 -9.235 -2.722 1.00 0.00 C ATOM 198 C THR A 89 7.978 -8.721 -3.752 1.00 0.00 C ATOM 199 O THR A 89 8.131 -8.944 -4.951 1.00 0.00 O ATOM 200 CB THR A 89 10.326 -8.561 -2.941 1.00 0.00 C ATOM 201 OG1 THR A 89 11.262 -9.519 -3.457 1.00 0.00 O ATOM 202 CG2 THR A 89 10.847 -7.973 -1.644 1.00 0.00 C ATOM 0 H THR A 89 9.851 -11.007 -3.373 1.00 0.00 H new ATOM 0 HA THR A 89 8.597 -8.983 -1.731 1.00 0.00 H new ATOM 0 HB THR A 89 10.202 -7.751 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.129 -9.085 -3.599 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.811 -7.497 -1.822 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.140 -7.232 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.964 -8.767 -0.906 1.00 0.00 H new ATOM 210 N TYR A 90 6.964 -8.039 -3.273 1.00 0.00 N ATOM 211 CA TYR A 90 5.968 -7.423 -4.122 1.00 0.00 C ATOM 212 C TYR A 90 5.988 -5.936 -3.882 1.00 0.00 C ATOM 213 O TYR A 90 6.168 -5.496 -2.747 1.00 0.00 O ATOM 214 CB TYR A 90 4.575 -7.976 -3.830 1.00 0.00 C ATOM 215 CG TYR A 90 4.329 -9.368 -4.367 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.900 -10.479 -3.765 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.512 -9.566 -5.470 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.663 -11.749 -4.247 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.273 -10.833 -5.959 1.00 0.00 C ATOM 220 CZ TYR A 90 3.852 -11.921 -5.342 1.00 0.00 C ATOM 221 OH TYR A 90 3.613 -13.191 -5.820 1.00 0.00 O ATOM 0 H TYR A 90 6.805 -7.894 -2.276 1.00 0.00 H new ATOM 0 HA TYR A 90 6.202 -7.644 -5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.419 -7.983 -2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.833 -7.300 -4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 90 5.540 -10.348 -2.905 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.056 -8.715 -5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.113 -12.605 -3.766 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.636 -10.972 -6.820 1.00 0.00 H new ATOM 0 HH TYR A 90 3.019 -13.141 -6.598 1.00 0.00 H new ATOM 231 N HIS A 91 5.816 -5.165 -4.921 1.00 0.00 N ATOM 232 CA HIS A 91 5.865 -3.724 -4.792 1.00 0.00 C ATOM 233 C HIS A 91 4.493 -3.147 -4.546 1.00 0.00 C ATOM 234 O HIS A 91 3.489 -3.658 -5.047 1.00 0.00 O ATOM 235 CB HIS A 91 6.477 -3.082 -6.039 1.00 0.00 C ATOM 236 CG HIS A 91 7.928 -3.384 -6.232 1.00 0.00 C ATOM 237 ND1 HIS A 91 8.909 -2.426 -6.159 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.562 -4.546 -6.508 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.082 -2.981 -6.384 1.00 0.00 C ATOM 240 NE2 HIS A 91 9.898 -4.269 -6.595 1.00 0.00 N ATOM 0 H HIS A 91 5.641 -5.504 -5.867 1.00 0.00 H new ATOM 0 HA HIS A 91 6.496 -3.499 -3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.927 -3.421 -6.916 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.347 -2.001 -5.979 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.753 -1.438 -5.961 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.099 -5.513 -6.636 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.032 -2.468 -6.394 1.00 0.00 H new ATOM 249 N VAL A 92 4.456 -2.108 -3.751 1.00 0.00 N ATOM 250 CA VAL A 92 3.247 -1.384 -3.474 1.00 0.00 C ATOM 251 C VAL A 92 3.420 0.033 -3.963 1.00 0.00 C ATOM 252 O VAL A 92 4.287 0.762 -3.484 1.00 0.00 O ATOM 253 CB VAL A 92 2.937 -1.350 -1.966 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.679 -0.548 -1.688 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.817 -2.759 -1.400 1.00 0.00 C ATOM 0 H VAL A 92 5.277 -1.738 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 92 2.421 -1.884 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 92 3.770 -0.856 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.482 -0.540 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.814 0.475 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.836 -1.002 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.598 -2.705 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.012 -3.288 -1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.755 -3.293 -1.551 1.00 0.00 H new ATOM 265 N VAL A 93 2.611 0.418 -4.896 1.00 0.00 N ATOM 266 CA VAL A 93 2.697 1.733 -5.479 1.00 0.00 C ATOM 267 C VAL A 93 1.354 2.436 -5.391 1.00 0.00 C ATOM 268 O VAL A 93 0.302 1.822 -5.616 1.00 0.00 O ATOM 269 CB VAL A 93 3.184 1.664 -6.960 1.00 0.00 C ATOM 270 CG1 VAL A 93 2.273 0.779 -7.800 1.00 0.00 C ATOM 271 CG2 VAL A 93 3.296 3.057 -7.571 1.00 0.00 C ATOM 0 H VAL A 93 1.868 -0.165 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 93 3.431 2.307 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 93 4.178 1.217 -6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.638 0.751 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.267 -0.231 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.260 1.182 -7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.637 2.975 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.321 3.543 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.010 3.649 -6.998 1.00 0.00 H new ATOM 281 N CYS A 94 1.380 3.704 -5.051 1.00 0.00 N ATOM 282 CA CYS A 94 0.166 4.476 -4.939 1.00 0.00 C ATOM 283 C CYS A 94 0.214 5.652 -5.893 1.00 0.00 C ATOM 284 O CYS A 94 1.041 6.556 -5.744 1.00 0.00 O ATOM 285 CB CYS A 94 -0.038 4.961 -3.502 1.00 0.00 C ATOM 286 SG CYS A 94 -0.159 3.618 -2.276 1.00 0.00 S ATOM 0 H CYS A 94 2.233 4.224 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.678 3.839 -5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.791 5.615 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -0.946 5.562 -3.458 1.00 0.00 H new ATOM 291 N HIS A 95 -0.649 5.625 -6.885 1.00 0.00 N ATOM 292 CA HIS A 95 -0.712 6.685 -7.873 1.00 0.00 C ATOM 293 C HIS A 95 -1.737 7.725 -7.452 1.00 0.00 C ATOM 294 O HIS A 95 -1.703 8.872 -7.901 1.00 0.00 O ATOM 295 CB HIS A 95 -1.071 6.102 -9.251 1.00 0.00 C ATOM 296 CG HIS A 95 -1.040 7.098 -10.375 1.00 0.00 C ATOM 297 ND1 HIS A 95 0.081 7.339 -11.139 1.00 0.00 N ATOM 298 CD2 HIS A 95 -2.005 7.914 -10.867 1.00 0.00 C ATOM 299 CE1 HIS A 95 -0.194 8.256 -12.045 1.00 0.00 C ATOM 300 NE2 HIS A 95 -1.452 8.619 -11.901 1.00 0.00 N ATOM 0 H HIS A 95 -1.324 4.874 -7.031 1.00 0.00 H new ATOM 0 HA HIS A 95 0.264 7.165 -7.944 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.379 5.292 -9.481 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.068 5.664 -9.198 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.021 7.993 -10.509 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.495 8.644 -12.781 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.936 9.314 -12.469 1.00 0.00 H new ATOM 309 N GLU A 96 -2.622 7.328 -6.562 1.00 0.00 N ATOM 310 CA GLU A 96 -3.683 8.194 -6.098 1.00 0.00 C ATOM 311 C GLU A 96 -3.876 8.044 -4.611 1.00 0.00 C ATOM 312 O GLU A 96 -3.494 7.031 -4.023 1.00 0.00 O ATOM 313 CB GLU A 96 -4.996 7.877 -6.807 1.00 0.00 C ATOM 314 CG GLU A 96 -4.986 8.151 -8.293 1.00 0.00 C ATOM 315 CD GLU A 96 -6.320 7.869 -8.925 1.00 0.00 C ATOM 316 OE1 GLU A 96 -7.207 8.745 -8.858 1.00 0.00 O ATOM 317 OE2 GLU A 96 -6.493 6.770 -9.484 1.00 0.00 O ATOM 0 H GLU A 96 -2.626 6.399 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.394 9.220 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.237 6.826 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.793 8.462 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.714 9.192 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.222 7.538 -8.770 1.00 0.00 H new ATOM 324 N GLU A 97 -4.448 9.056 -4.006 1.00 0.00 N ATOM 325 CA GLU A 97 -4.759 9.028 -2.598 1.00 0.00 C ATOM 326 C GLU A 97 -6.015 8.196 -2.361 1.00 0.00 C ATOM 327 O GLU A 97 -7.005 8.330 -3.090 1.00 0.00 O ATOM 328 CB GLU A 97 -4.952 10.450 -2.086 1.00 0.00 C ATOM 329 CG GLU A 97 -3.714 11.319 -2.231 1.00 0.00 C ATOM 330 CD GLU A 97 -3.987 12.777 -1.949 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.141 13.136 -0.768 1.00 0.00 O ATOM 332 OE2 GLU A 97 -4.042 13.571 -2.910 1.00 0.00 O ATOM 0 H GLU A 97 -4.711 9.922 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.933 8.570 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.777 10.914 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.240 10.414 -1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.942 10.960 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.320 11.217 -3.242 1.00 0.00 H new ATOM 339 N GLY A 98 -5.974 7.355 -1.353 1.00 0.00 N ATOM 340 CA GLY A 98 -7.093 6.486 -1.060 1.00 0.00 C ATOM 341 C GLY A 98 -6.666 5.045 -0.891 1.00 0.00 C ATOM 342 O GLY A 98 -5.524 4.698 -1.187 1.00 0.00 O ATOM 0 H GLY A 98 -5.179 7.253 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.587 6.826 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.825 6.555 -1.865 1.00 0.00 H new ATOM 346 N PRO A 99 -7.555 4.188 -0.389 1.00 0.00 N ATOM 347 CA PRO A 99 -7.265 2.776 -0.205 1.00 0.00 C ATOM 348 C PRO A 99 -7.511 1.951 -1.479 1.00 0.00 C ATOM 349 O PRO A 99 -8.526 2.123 -2.164 1.00 0.00 O ATOM 350 CB PRO A 99 -8.242 2.373 0.896 1.00 0.00 C ATOM 351 CG PRO A 99 -9.426 3.269 0.703 1.00 0.00 C ATOM 352 CD PRO A 99 -8.916 4.538 0.062 1.00 0.00 C ATOM 0 HA PRO A 99 -6.218 2.597 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.522 1.323 0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.802 2.507 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.173 2.790 0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.907 3.485 1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.546 4.845 -0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.901 5.365 0.771 1.00 0.00 H new ATOM 360 N ILE A 100 -6.575 1.072 -1.788 1.00 0.00 N ATOM 361 CA ILE A 100 -6.676 0.187 -2.947 1.00 0.00 C ATOM 362 C ILE A 100 -6.189 -1.216 -2.579 1.00 0.00 C ATOM 363 O ILE A 100 -5.443 -1.368 -1.625 1.00 0.00 O ATOM 364 CB ILE A 100 -5.885 0.735 -4.182 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.559 1.413 -3.764 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.749 1.695 -4.993 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.479 0.458 -3.296 1.00 0.00 C ATOM 0 H ILE A 100 -5.720 0.947 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.726 0.142 -3.235 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.630 -0.119 -4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.177 1.985 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.767 2.125 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.180 2.064 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.638 1.173 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.047 2.535 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.587 1.022 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.835 -0.097 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.237 -0.239 -4.098 1.00 0.00 H new ATOM 379 N PRO A 101 -6.618 -2.262 -3.313 1.00 0.00 N ATOM 380 CA PRO A 101 -6.209 -3.645 -3.024 1.00 0.00 C ATOM 381 C PRO A 101 -4.729 -3.875 -3.304 1.00 0.00 C ATOM 382 O PRO A 101 -4.053 -3.022 -3.887 1.00 0.00 O ATOM 383 CB PRO A 101 -7.059 -4.474 -3.989 1.00 0.00 C ATOM 384 CG PRO A 101 -7.347 -3.544 -5.108 1.00 0.00 C ATOM 385 CD PRO A 101 -7.514 -2.196 -4.474 1.00 0.00 C ATOM 0 HA PRO A 101 -6.352 -3.902 -1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.523 -5.358 -4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.976 -4.822 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.533 -3.539 -5.833 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.249 -3.841 -5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.233 -1.393 -5.155 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.547 -2.015 -4.177 1.00 0.00 H new ATOM 393 N HIS A 102 -4.234 -5.026 -2.907 1.00 0.00 N ATOM 394 CA HIS A 102 -2.847 -5.361 -3.113 1.00 0.00 C ATOM 395 C HIS A 102 -2.708 -6.110 -4.433 1.00 0.00 C ATOM 396 O HIS A 102 -3.464 -7.039 -4.694 1.00 0.00 O ATOM 397 CB HIS A 102 -2.337 -6.224 -1.949 1.00 0.00 C ATOM 398 CG HIS A 102 -0.848 -6.358 -1.890 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.136 -7.223 -2.690 1.00 0.00 N ATOM 400 CD2 HIS A 102 0.065 -5.727 -1.120 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.150 -7.116 -2.412 1.00 0.00 C ATOM 402 NE2 HIS A 102 1.300 -6.215 -1.463 1.00 0.00 N ATOM 0 H HIS A 102 -4.778 -5.749 -2.436 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.249 -4.450 -3.151 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.689 -5.794 -1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.777 -7.218 -2.029 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.539 -7.848 -3.388 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.140 -4.976 -0.371 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.946 -7.674 -2.884 1.00 0.00 H new ATOM 411 N PRO A 103 -1.735 -5.721 -5.277 1.00 0.00 N ATOM 412 CA PRO A 103 -1.529 -6.335 -6.600 1.00 0.00 C ATOM 413 C PRO A 103 -1.393 -7.863 -6.525 1.00 0.00 C ATOM 414 O PRO A 103 -2.057 -8.593 -7.271 1.00 0.00 O ATOM 415 CB PRO A 103 -0.217 -5.689 -7.096 1.00 0.00 C ATOM 416 CG PRO A 103 0.394 -5.070 -5.882 1.00 0.00 C ATOM 417 CD PRO A 103 -0.759 -4.652 -5.026 1.00 0.00 C ATOM 0 HA PRO A 103 -2.376 -6.165 -7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.447 -6.433 -7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.412 -4.941 -7.865 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.034 -5.780 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.016 -4.215 -6.148 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.483 -4.591 -3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.145 -3.673 -5.312 1.00 0.00 H new ATOM 425 N GLY A 104 -0.532 -8.331 -5.627 1.00 0.00 N ATOM 426 CA GLY A 104 -0.338 -9.763 -5.447 1.00 0.00 C ATOM 427 C GLY A 104 -1.593 -10.480 -4.959 1.00 0.00 C ATOM 428 O GLY A 104 -2.164 -11.292 -5.681 1.00 0.00 O ATOM 0 H GLY A 104 0.038 -7.744 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.020 -10.202 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.468 -9.927 -4.732 1.00 0.00 H new ATOM 432 N ASN A 105 -2.019 -10.175 -3.738 1.00 0.00 N ATOM 433 CA ASN A 105 -3.205 -10.805 -3.160 1.00 0.00 C ATOM 434 C ASN A 105 -4.268 -9.772 -2.791 1.00 0.00 C ATOM 435 O ASN A 105 -4.061 -8.943 -1.906 1.00 0.00 O ATOM 436 CB ASN A 105 -2.845 -11.670 -1.932 1.00 0.00 C ATOM 437 CG ASN A 105 -1.932 -10.967 -0.930 1.00 0.00 C ATOM 438 OD1 ASN A 105 -2.382 -10.206 -0.075 1.00 0.00 O ATOM 439 ND2 ASN A 105 -0.647 -11.239 -1.018 1.00 0.00 N ATOM 0 H ASN A 105 -1.563 -9.496 -3.128 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.621 -11.459 -3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.764 -11.967 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.359 -12.584 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 105 0.010 -10.814 -0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.309 -11.875 -1.740 1.00 0.00 H new ATOM 446 N VAL A 106 -5.380 -9.799 -3.518 1.00 0.00 N ATOM 447 CA VAL A 106 -6.532 -8.913 -3.264 1.00 0.00 C ATOM 448 C VAL A 106 -7.114 -9.090 -1.840 1.00 0.00 C ATOM 449 O VAL A 106 -7.892 -8.254 -1.365 1.00 0.00 O ATOM 450 CB VAL A 106 -7.653 -9.156 -4.311 1.00 0.00 C ATOM 451 CG1 VAL A 106 -8.745 -8.110 -4.195 1.00 0.00 C ATOM 452 CG2 VAL A 106 -7.082 -9.163 -5.717 1.00 0.00 C ATOM 0 H VAL A 106 -5.517 -10.434 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.161 -7.892 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.092 -10.133 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.516 -8.305 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.184 -8.152 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.320 -7.120 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.884 -9.335 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.610 -8.202 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.341 -9.957 -5.805 1.00 0.00 H new ATOM 462 N HIS A 107 -6.734 -10.173 -1.162 1.00 0.00 N ATOM 463 CA HIS A 107 -7.184 -10.420 0.217 1.00 0.00 C ATOM 464 C HIS A 107 -6.592 -9.370 1.180 1.00 0.00 C ATOM 465 O HIS A 107 -6.942 -9.314 2.366 1.00 0.00 O ATOM 466 CB HIS A 107 -6.805 -11.846 0.669 1.00 0.00 C ATOM 467 CG HIS A 107 -7.250 -12.181 2.066 1.00 0.00 C ATOM 468 ND1 HIS A 107 -6.381 -12.566 3.063 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.478 -12.166 2.630 1.00 0.00 C ATOM 470 CE1 HIS A 107 -7.053 -12.771 4.175 1.00 0.00 C ATOM 471 NE2 HIS A 107 -8.331 -12.533 3.944 1.00 0.00 N ATOM 0 H HIS A 107 -6.118 -10.893 -1.539 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.270 -10.332 0.240 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -7.243 -12.565 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.723 -11.961 0.605 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -5.373 -12.675 2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.405 -11.912 2.137 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.630 -13.082 5.119 1.00 0.00 H new ATOM 480 N LYS A 108 -5.727 -8.534 0.653 1.00 0.00 N ATOM 481 CA LYS A 108 -5.112 -7.478 1.413 1.00 0.00 C ATOM 482 C LYS A 108 -5.143 -6.208 0.599 1.00 0.00 C ATOM 483 O LYS A 108 -5.225 -6.257 -0.630 1.00 0.00 O ATOM 484 CB LYS A 108 -3.669 -7.824 1.807 1.00 0.00 C ATOM 485 CG LYS A 108 -3.555 -8.998 2.772 1.00 0.00 C ATOM 486 CD LYS A 108 -2.305 -8.898 3.643 1.00 0.00 C ATOM 487 CE LYS A 108 -1.077 -9.513 2.988 1.00 0.00 C ATOM 488 NZ LYS A 108 -0.711 -8.852 1.724 1.00 0.00 N ATOM 0 H LYS A 108 -5.430 -8.571 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.673 -7.344 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.102 -8.052 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.207 -6.947 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.439 -9.032 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.531 -9.931 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.106 -7.850 3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.491 -9.396 4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.236 -9.456 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.263 -10.570 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.287 -9.048 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.311 -9.215 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.850 -7.826 1.816 1.00 0.00 H new ATOM 502 N TYR A 109 -5.084 -5.085 1.264 1.00 0.00 N ATOM 503 CA TYR A 109 -5.129 -3.815 0.583 1.00 0.00 C ATOM 504 C TYR A 109 -4.188 -2.831 1.240 1.00 0.00 C ATOM 505 O TYR A 109 -3.661 -3.092 2.311 1.00 0.00 O ATOM 506 CB TYR A 109 -6.556 -3.263 0.543 1.00 0.00 C ATOM 507 CG TYR A 109 -7.062 -2.675 1.842 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.400 -3.483 2.918 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.216 -1.303 1.976 1.00 0.00 C ATOM 510 CE1 TYR A 109 -7.877 -2.936 4.093 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.688 -0.752 3.144 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.017 -1.570 4.197 1.00 0.00 C ATOM 513 OH TYR A 109 -8.487 -1.017 5.362 1.00 0.00 O ATOM 0 H TYR A 109 -5.004 -5.022 2.279 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.803 -3.968 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.609 -2.495 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.229 -4.065 0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.289 -4.554 2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.961 -0.657 1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.138 -3.575 4.924 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.799 0.319 3.233 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.524 -0.042 5.270 1.00 0.00 H new ATOM 523 N ILE A 110 -3.982 -1.708 0.604 1.00 0.00 N ATOM 524 CA ILE A 110 -3.103 -0.700 1.127 1.00 0.00 C ATOM 525 C ILE A 110 -3.827 0.631 1.206 1.00 0.00 C ATOM 526 O ILE A 110 -4.620 0.970 0.323 1.00 0.00 O ATOM 527 CB ILE A 110 -1.821 -0.517 0.256 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.196 -1.868 -0.129 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.798 0.340 0.992 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.709 -2.432 -1.446 1.00 0.00 C ATOM 0 H ILE A 110 -4.417 -1.468 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.798 -1.033 2.119 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.119 -0.013 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.114 -1.752 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.394 -2.588 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.091 0.459 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.228 1.320 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.524 -0.145 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.221 -3.386 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.787 -2.582 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.487 -1.733 -2.252 1.00 0.00 H new ATOM 542 N ILE A 111 -3.577 1.366 2.264 1.00 0.00 N ATOM 543 CA ILE A 111 -4.138 2.684 2.412 1.00 0.00 C ATOM 544 C ILE A 111 -3.093 3.685 1.979 1.00 0.00 C ATOM 545 O ILE A 111 -2.007 3.747 2.567 1.00 0.00 O ATOM 546 CB ILE A 111 -4.575 3.001 3.876 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.649 2.022 4.365 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.086 4.434 3.985 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.100 0.709 4.877 1.00 0.00 C ATOM 0 H ILE A 111 -2.984 1.069 3.039 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.036 2.739 1.797 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.697 2.887 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.224 2.497 5.159 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.341 1.820 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.386 4.636 5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.295 5.125 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.943 4.566 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.923 0.073 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.550 0.209 4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.431 0.897 5.717 1.00 0.00 H new ATOM 561 N CYS A 112 -3.398 4.435 0.946 1.00 0.00 N ATOM 562 CA CYS A 112 -2.473 5.412 0.425 1.00 0.00 C ATOM 563 C CYS A 112 -2.909 6.805 0.840 1.00 0.00 C ATOM 564 O CYS A 112 -4.034 7.217 0.572 1.00 0.00 O ATOM 565 CB CYS A 112 -2.412 5.312 -1.102 1.00 0.00 C ATOM 566 SG CYS A 112 -2.115 3.621 -1.728 1.00 0.00 S ATOM 0 H CYS A 112 -4.286 4.386 0.447 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.480 5.216 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.349 5.682 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.621 5.967 -1.467 1.00 0.00 H new ATOM 571 N SER A 113 -2.032 7.521 1.498 1.00 0.00 N ATOM 572 CA SER A 113 -2.346 8.862 1.939 1.00 0.00 C ATOM 573 C SER A 113 -1.188 9.799 1.659 1.00 0.00 C ATOM 574 O SER A 113 -0.028 9.389 1.691 1.00 0.00 O ATOM 575 CB SER A 113 -2.720 8.868 3.426 1.00 0.00 C ATOM 576 OG SER A 113 -1.772 8.151 4.199 1.00 0.00 O ATOM 0 H SER A 113 -1.095 7.200 1.741 1.00 0.00 H new ATOM 0 HA SER A 113 -3.209 9.219 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.781 9.896 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.708 8.426 3.556 1.00 0.00 H new ATOM 0 HG SER A 113 -1.191 7.632 3.605 1.00 0.00 H new ATOM 582 N LYS A 114 -1.495 11.045 1.381 1.00 0.00 N ATOM 583 CA LYS A 114 -0.474 12.013 1.062 1.00 0.00 C ATOM 584 C LYS A 114 -0.455 13.128 2.094 1.00 0.00 C ATOM 585 O LYS A 114 -1.401 13.901 2.209 1.00 0.00 O ATOM 586 CB LYS A 114 -0.695 12.585 -0.341 1.00 0.00 C ATOM 587 CG LYS A 114 0.457 13.438 -0.847 1.00 0.00 C ATOM 588 CD LYS A 114 0.188 13.966 -2.248 1.00 0.00 C ATOM 589 CE LYS A 114 1.400 14.700 -2.796 1.00 0.00 C ATOM 590 NZ LYS A 114 1.137 15.304 -4.123 1.00 0.00 N ATOM 0 H LYS A 114 -2.447 11.412 1.370 1.00 0.00 H new ATOM 0 HA LYS A 114 0.493 11.510 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.858 11.762 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.605 13.185 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.618 14.274 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.374 12.848 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.070 13.138 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.670 14.638 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.697 15.481 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.238 14.007 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.991 15.794 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.879 14.557 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.355 15.986 -4.045 1.00 0.00 H new ATOM 604 N SER A 115 0.614 13.186 2.849 1.00 0.00 N ATOM 605 CA SER A 115 0.801 14.206 3.850 1.00 0.00 C ATOM 606 C SER A 115 1.677 15.319 3.297 1.00 0.00 C ATOM 607 O SER A 115 2.866 15.428 3.629 1.00 0.00 O ATOM 608 CB SER A 115 1.436 13.596 5.091 1.00 0.00 C ATOM 609 OG SER A 115 0.555 12.670 5.700 1.00 0.00 O ATOM 0 H SER A 115 1.385 12.521 2.785 1.00 0.00 H new ATOM 0 HA SER A 115 -0.167 14.628 4.122 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.367 13.097 4.821 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.691 14.384 5.800 1.00 0.00 H new ATOM 0 HG SER A 115 1.074 11.994 6.183 1.00 0.00 H new ATOM 615 N GLY A 116 1.100 16.104 2.411 1.00 0.00 N ATOM 616 CA GLY A 116 1.836 17.176 1.799 1.00 0.00 C ATOM 617 C GLY A 116 2.683 16.651 0.673 1.00 0.00 C ATOM 618 O GLY A 116 2.193 16.437 -0.429 1.00 0.00 O ATOM 0 H GLY A 116 0.131 16.017 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.146 17.931 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.468 17.663 2.542 1.00 0.00 H new ATOM 622 N SER A 117 3.954 16.436 0.944 1.00 0.00 N ATOM 623 CA SER A 117 4.852 15.877 -0.044 1.00 0.00 C ATOM 624 C SER A 117 5.336 14.493 0.406 1.00 0.00 C ATOM 625 O SER A 117 6.179 13.875 -0.247 1.00 0.00 O ATOM 626 CB SER A 117 6.033 16.808 -0.278 1.00 0.00 C ATOM 627 OG SER A 117 5.592 18.086 -0.707 1.00 0.00 O ATOM 0 H SER A 117 4.389 16.641 1.844 1.00 0.00 H new ATOM 0 HA SER A 117 4.313 15.768 -0.985 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.610 16.908 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.698 16.378 -1.027 1.00 0.00 H new ATOM 0 HG SER A 117 6.367 18.669 -0.850 1.00 0.00 H new ATOM 633 N LEU A 118 4.785 14.011 1.520 1.00 0.00 N ATOM 634 CA LEU A 118 5.184 12.726 2.082 1.00 0.00 C ATOM 635 C LEU A 118 4.030 11.741 2.028 1.00 0.00 C ATOM 636 O LEU A 118 2.973 11.994 2.586 1.00 0.00 O ATOM 637 CB LEU A 118 5.634 12.902 3.537 1.00 0.00 C ATOM 638 CG LEU A 118 6.130 11.634 4.244 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.298 11.014 3.492 1.00 0.00 C ATOM 640 CD2 LEU A 118 6.526 11.945 5.677 1.00 0.00 C ATOM 0 H LEU A 118 4.060 14.494 2.050 1.00 0.00 H new ATOM 0 HA LEU A 118 6.013 12.337 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.432 13.644 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.800 13.310 4.108 1.00 0.00 H new ATOM 0 HG LEU A 118 5.314 10.912 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.631 10.117 4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.982 10.751 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.119 11.730 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 118 6.875 11.034 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.324 12.688 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.663 12.336 6.216 1.00 0.00 H new ATOM 652 N TRP A 119 4.232 10.630 1.361 1.00 0.00 N ATOM 653 CA TRP A 119 3.194 9.620 1.260 1.00 0.00 C ATOM 654 C TRP A 119 3.265 8.613 2.405 1.00 0.00 C ATOM 655 O TRP A 119 4.339 8.099 2.736 1.00 0.00 O ATOM 656 CB TRP A 119 3.292 8.881 -0.077 1.00 0.00 C ATOM 657 CG TRP A 119 2.836 9.680 -1.257 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.523 10.675 -1.893 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.595 9.538 -1.953 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.780 11.165 -2.937 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.591 10.482 -2.997 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.483 8.704 -1.793 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.520 10.612 -3.875 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.577 8.837 -2.666 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.553 9.783 -3.695 1.00 0.00 C ATOM 0 H TRP A 119 5.101 10.398 0.880 1.00 0.00 H new ATOM 0 HA TRP A 119 2.237 10.138 1.322 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.327 8.578 -0.236 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.698 7.969 -0.019 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.506 11.024 -1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.065 11.915 -3.567 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.455 7.970 -1.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.535 11.342 -4.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.441 8.199 -2.552 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.399 9.861 -4.362 1.00 0.00 H new ATOM 676 N TYR A 120 2.120 8.352 3.006 1.00 0.00 N ATOM 677 CA TYR A 120 1.996 7.343 4.042 1.00 0.00 C ATOM 678 C TYR A 120 1.188 6.174 3.527 1.00 0.00 C ATOM 679 O TYR A 120 0.069 6.349 3.026 1.00 0.00 O ATOM 680 CB TYR A 120 1.336 7.904 5.295 1.00 0.00 C ATOM 681 CG TYR A 120 2.257 8.711 6.172 1.00 0.00 C ATOM 682 CD1 TYR A 120 3.020 8.092 7.151 1.00 0.00 C ATOM 683 CD2 TYR A 120 2.354 10.084 6.037 1.00 0.00 C ATOM 684 CE1 TYR A 120 3.857 8.819 7.967 1.00 0.00 C ATOM 685 CE2 TYR A 120 3.188 10.822 6.852 1.00 0.00 C ATOM 686 CZ TYR A 120 3.937 10.182 7.817 1.00 0.00 C ATOM 687 OH TYR A 120 4.765 10.911 8.640 1.00 0.00 O ATOM 0 H TYR A 120 1.248 8.834 2.790 1.00 0.00 H new ATOM 0 HA TYR A 120 3.001 7.013 4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.494 8.530 4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 120 0.929 7.078 5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.956 7.021 7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.768 10.587 5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.448 8.320 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.254 11.894 6.735 1.00 0.00 H new ATOM 0 HH TYR A 120 4.708 11.860 8.404 1.00 0.00 H new ATOM 697 N ILE A 121 1.752 4.997 3.640 1.00 0.00 N ATOM 698 CA ILE A 121 1.101 3.792 3.169 1.00 0.00 C ATOM 699 C ILE A 121 1.016 2.731 4.264 1.00 0.00 C ATOM 700 O ILE A 121 1.836 2.702 5.183 1.00 0.00 O ATOM 701 CB ILE A 121 1.806 3.217 1.899 1.00 0.00 C ATOM 702 CG1 ILE A 121 3.343 3.191 2.058 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.424 4.028 0.675 1.00 0.00 C ATOM 704 CD1 ILE A 121 3.868 2.092 2.955 1.00 0.00 C ATOM 0 H ILE A 121 2.670 4.844 4.058 1.00 0.00 H new ATOM 0 HA ILE A 121 0.084 4.070 2.893 1.00 0.00 H new ATOM 0 HB ILE A 121 1.468 2.189 1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.795 3.083 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.670 4.152 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.922 3.617 -0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.344 3.986 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 121 1.731 5.064 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 121 4.955 2.153 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.450 2.208 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 121 3.577 1.122 2.551 1.00 0.00 H new ATOM 716 N THR A 122 -0.008 1.899 4.193 1.00 0.00 N ATOM 717 CA THR A 122 -0.177 0.805 5.146 1.00 0.00 C ATOM 718 C THR A 122 -0.937 -0.353 4.504 1.00 0.00 C ATOM 719 O THR A 122 -2.045 -0.165 4.007 1.00 0.00 O ATOM 720 CB THR A 122 -0.951 1.275 6.402 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.338 2.451 6.940 1.00 0.00 O ATOM 722 CG2 THR A 122 -0.965 0.188 7.468 1.00 0.00 C ATOM 0 H THR A 122 -0.740 1.957 3.485 1.00 0.00 H new ATOM 0 HA THR A 122 0.818 0.473 5.441 1.00 0.00 H new ATOM 0 HB THR A 122 -1.977 1.494 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.833 2.744 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.514 0.541 8.341 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.449 -0.704 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.058 -0.052 7.756 1.00 0.00 H new ATOM 730 N VAL A 123 -0.344 -1.545 4.508 1.00 0.00 N ATOM 731 CA VAL A 123 -1.002 -2.711 3.936 1.00 0.00 C ATOM 732 C VAL A 123 -1.768 -3.490 5.012 1.00 0.00 C ATOM 733 O VAL A 123 -1.185 -4.069 5.924 1.00 0.00 O ATOM 734 CB VAL A 123 -0.006 -3.644 3.174 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.171 -4.055 4.052 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.728 -4.871 2.622 1.00 0.00 C ATOM 0 H VAL A 123 0.581 -1.725 4.897 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.717 -2.342 3.200 1.00 0.00 H new ATOM 0 HB VAL A 123 0.398 -3.076 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.839 -4.703 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.714 -3.166 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.803 -4.591 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.016 -5.506 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.175 -5.431 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.510 -4.553 1.932 1.00 0.00 H new ATOM 746 N MET A 124 -3.081 -3.468 4.902 1.00 0.00 N ATOM 747 CA MET A 124 -3.957 -4.133 5.852 1.00 0.00 C ATOM 748 C MET A 124 -4.690 -5.289 5.180 1.00 0.00 C ATOM 749 O MET A 124 -5.034 -5.210 4.005 1.00 0.00 O ATOM 750 CB MET A 124 -4.978 -3.139 6.417 1.00 0.00 C ATOM 751 CG MET A 124 -4.374 -1.919 7.117 1.00 0.00 C ATOM 752 SD MET A 124 -3.934 -2.209 8.855 1.00 0.00 S ATOM 753 CE MET A 124 -2.420 -3.160 8.705 1.00 0.00 C ATOM 0 H MET A 124 -3.574 -2.988 4.150 1.00 0.00 H new ATOM 0 HA MET A 124 -3.347 -4.523 6.666 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.615 -2.794 5.603 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.621 -3.664 7.124 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.482 -1.606 6.574 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.085 -1.094 7.065 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.795 -2.990 9.582 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.662 -4.220 8.632 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.882 -2.848 7.810 1.00 0.00 H new ATOM 763 N PRO A 125 -4.918 -6.385 5.907 1.00 0.00 N ATOM 764 CA PRO A 125 -5.632 -7.538 5.382 1.00 0.00 C ATOM 765 C PRO A 125 -7.149 -7.431 5.575 1.00 0.00 C ATOM 766 O PRO A 125 -7.621 -6.887 6.575 1.00 0.00 O ATOM 767 CB PRO A 125 -5.077 -8.678 6.225 1.00 0.00 C ATOM 768 CG PRO A 125 -4.799 -8.058 7.556 1.00 0.00 C ATOM 769 CD PRO A 125 -4.472 -6.603 7.298 1.00 0.00 C ATOM 0 HA PRO A 125 -5.493 -7.656 4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.794 -9.495 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -4.171 -9.094 5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.663 -8.150 8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.967 -8.560 8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.994 -5.946 7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.406 -6.406 7.412 1.00 0.00 H new ATOM 777 N CYS A 126 -7.901 -7.938 4.613 1.00 0.00 N ATOM 778 CA CYS A 126 -9.351 -7.973 4.720 1.00 0.00 C ATOM 779 C CYS A 126 -9.785 -9.187 5.521 1.00 0.00 C ATOM 780 O CYS A 126 -8.962 -10.060 5.849 1.00 0.00 O ATOM 781 CB CYS A 126 -10.013 -8.018 3.333 1.00 0.00 C ATOM 782 SG CYS A 126 -10.109 -6.414 2.469 1.00 0.00 S ATOM 0 H CYS A 126 -7.532 -8.332 3.748 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.668 -7.062 5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.461 -8.718 2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -11.022 -8.415 3.442 1.00 0.00 H new ATOM 787 N SER A 127 -11.067 -9.251 5.837 1.00 0.00 N ATOM 788 CA SER A 127 -11.622 -10.379 6.550 1.00 0.00 C ATOM 789 C SER A 127 -11.431 -11.649 5.721 1.00 0.00 C ATOM 790 O SER A 127 -11.341 -11.592 4.486 1.00 0.00 O ATOM 791 CB SER A 127 -13.114 -10.140 6.833 1.00 0.00 C ATOM 792 OG SER A 127 -13.678 -11.202 7.584 1.00 0.00 O ATOM 0 H SER A 127 -11.746 -8.525 5.606 1.00 0.00 H new ATOM 0 HA SER A 127 -11.106 -10.497 7.503 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.237 -9.203 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.652 -10.034 5.891 1.00 0.00 H new ATOM 0 HG SER A 127 -14.627 -11.019 7.748 1.00 0.00 H new ATOM 798 N ILE A 128 -11.334 -12.773 6.384 1.00 0.00 N ATOM 799 CA ILE A 128 -11.159 -14.035 5.706 1.00 0.00 C ATOM 800 C ILE A 128 -12.386 -14.341 4.852 1.00 0.00 C ATOM 801 O ILE A 128 -13.517 -14.342 5.345 1.00 0.00 O ATOM 802 CB ILE A 128 -10.871 -15.196 6.709 1.00 0.00 C ATOM 803 CG1 ILE A 128 -9.447 -15.071 7.296 1.00 0.00 C ATOM 804 CG2 ILE A 128 -11.047 -16.556 6.039 1.00 0.00 C ATOM 805 CD1 ILE A 128 -9.203 -13.826 8.135 1.00 0.00 C ATOM 0 H ILE A 128 -11.373 -12.841 7.401 1.00 0.00 H new ATOM 0 HA ILE A 128 -10.288 -13.953 5.056 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.592 -15.119 7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -9.245 -15.949 7.909 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.730 -15.084 6.475 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.840 -17.346 6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -12.071 -16.654 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -10.356 -16.640 5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -8.176 -13.830 8.502 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -9.367 -12.938 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.890 -13.817 8.981 1.00 0.00 H new ATOM 817 N GLY A 129 -12.154 -14.572 3.579 1.00 0.00 N ATOM 818 CA GLY A 129 -13.237 -14.815 2.661 1.00 0.00 C ATOM 819 C GLY A 129 -13.600 -13.583 1.855 1.00 0.00 C ATOM 820 O GLY A 129 -14.342 -13.676 0.878 1.00 0.00 O ATOM 0 H GLY A 129 -11.225 -14.596 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.960 -15.621 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -14.112 -15.153 3.217 1.00 0.00 H new ATOM 824 N THR A 130 -13.095 -12.420 2.262 1.00 0.00 N ATOM 825 CA THR A 130 -13.388 -11.191 1.545 1.00 0.00 C ATOM 826 C THR A 130 -12.145 -10.633 0.840 1.00 0.00 C ATOM 827 O THR A 130 -11.015 -10.807 1.305 1.00 0.00 O ATOM 828 CB THR A 130 -13.971 -10.099 2.482 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.057 -9.813 3.544 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.303 -10.537 3.066 1.00 0.00 C ATOM 0 H THR A 130 -12.489 -12.308 3.075 1.00 0.00 H new ATOM 0 HA THR A 130 -14.136 -11.451 0.796 1.00 0.00 H new ATOM 0 HB THR A 130 -14.128 -9.199 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.306 -10.442 3.507 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.689 -9.754 3.718 1.00 0.00 H new ATOM 0 HG22 THR A 130 -16.012 -10.719 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.165 -11.453 3.641 1.00 0.00 H new ATOM 838 N LYS A 131 -12.379 -9.958 -0.270 1.00 0.00 N ATOM 839 CA LYS A 131 -11.340 -9.333 -1.067 1.00 0.00 C ATOM 840 C LYS A 131 -11.631 -7.836 -1.164 1.00 0.00 C ATOM 841 O LYS A 131 -12.795 -7.435 -1.212 1.00 0.00 O ATOM 842 CB LYS A 131 -11.321 -9.959 -2.464 1.00 0.00 C ATOM 843 CG LYS A 131 -12.664 -9.887 -3.179 1.00 0.00 C ATOM 844 CD LYS A 131 -12.631 -10.602 -4.512 1.00 0.00 C ATOM 845 CE LYS A 131 -14.003 -10.612 -5.164 1.00 0.00 C ATOM 846 NZ LYS A 131 -14.004 -11.379 -6.428 1.00 0.00 N ATOM 0 H LYS A 131 -13.316 -9.826 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.366 -9.486 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.568 -9.454 -3.070 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -11.017 -11.003 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.435 -10.329 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.938 -8.843 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.915 -10.113 -5.172 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.285 -11.626 -4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.729 -11.044 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -14.320 -9.588 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.980 -11.478 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -13.435 -10.877 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.598 -12.322 -6.262 1.00 0.00 H new ATOM 860 N PHE A 132 -10.602 -7.015 -1.177 1.00 0.00 N ATOM 861 CA PHE A 132 -10.801 -5.569 -1.213 1.00 0.00 C ATOM 862 C PHE A 132 -11.052 -5.063 -2.632 1.00 0.00 C ATOM 863 O PHE A 132 -10.382 -5.468 -3.580 1.00 0.00 O ATOM 864 CB PHE A 132 -9.598 -4.850 -0.606 1.00 0.00 C ATOM 865 CG PHE A 132 -9.832 -3.388 -0.340 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.431 -2.975 0.839 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.447 -2.427 -1.260 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.639 -1.636 1.094 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.654 -1.086 -1.011 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.250 -0.690 0.167 1.00 0.00 C ATOM 0 H PHE A 132 -9.627 -7.313 -1.163 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.689 -5.349 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.328 -5.341 0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.747 -4.955 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.739 -3.711 1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.979 -2.731 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.106 -1.328 2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.350 -0.348 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.412 0.359 0.365 1.00 0.00 H new ATOM 880 N ASP A 133 -12.025 -4.180 -2.767 1.00 0.00 N ATOM 881 CA ASP A 133 -12.339 -3.569 -4.052 1.00 0.00 C ATOM 882 C ASP A 133 -11.833 -2.130 -4.077 1.00 0.00 C ATOM 883 O ASP A 133 -12.100 -1.359 -3.156 1.00 0.00 O ATOM 884 CB ASP A 133 -13.844 -3.605 -4.319 1.00 0.00 C ATOM 885 CG ASP A 133 -14.216 -2.989 -5.654 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.201 -3.708 -6.674 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.540 -1.784 -5.688 1.00 0.00 O ATOM 0 H ASP A 133 -12.617 -3.866 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.842 -4.138 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.189 -4.639 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.363 -3.074 -3.521 1.00 0.00 H new ATOM 892 N PRO A 134 -11.098 -1.756 -5.137 1.00 0.00 N ATOM 893 CA PRO A 134 -10.477 -0.425 -5.254 1.00 0.00 C ATOM 894 C PRO A 134 -11.477 0.729 -5.340 1.00 0.00 C ATOM 895 O PRO A 134 -11.288 1.763 -4.707 1.00 0.00 O ATOM 896 CB PRO A 134 -9.665 -0.516 -6.556 1.00 0.00 C ATOM 897 CG PRO A 134 -10.270 -1.644 -7.321 1.00 0.00 C ATOM 898 CD PRO A 134 -10.810 -2.607 -6.306 1.00 0.00 C ATOM 0 HA PRO A 134 -9.887 -0.201 -4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.720 0.415 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.611 -0.702 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -11.064 -1.286 -7.977 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.526 -2.126 -7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.708 -3.108 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.085 -3.385 -6.066 1.00 0.00 H new ATOM 906 N ILE A 135 -12.527 0.551 -6.120 1.00 0.00 N ATOM 907 CA ILE A 135 -13.487 1.621 -6.341 1.00 0.00 C ATOM 908 C ILE A 135 -14.439 1.789 -5.155 1.00 0.00 C ATOM 909 O ILE A 135 -14.609 2.898 -4.648 1.00 0.00 O ATOM 910 CB ILE A 135 -14.291 1.429 -7.672 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.404 1.708 -8.906 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.515 2.340 -7.706 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.279 0.718 -9.123 1.00 0.00 C ATOM 0 H ILE A 135 -12.738 -0.319 -6.610 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.905 2.538 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.620 0.390 -7.705 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -14.036 1.717 -9.794 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -12.976 2.706 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -16.056 2.188 -8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -16.168 2.104 -6.866 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -15.196 3.380 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.714 0.998 -10.012 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -11.618 0.723 -8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -12.694 -0.281 -9.257 1.00 0.00 H new ATOM 925 N SER A 136 -15.048 0.701 -4.708 1.00 0.00 N ATOM 926 CA SER A 136 -15.988 0.769 -3.595 1.00 0.00 C ATOM 927 C SER A 136 -15.267 1.056 -2.281 1.00 0.00 C ATOM 928 O SER A 136 -15.854 1.626 -1.352 1.00 0.00 O ATOM 929 CB SER A 136 -16.796 -0.518 -3.500 1.00 0.00 C ATOM 930 OG SER A 136 -15.951 -1.637 -3.370 1.00 0.00 O ATOM 0 H SER A 136 -14.911 -0.233 -5.094 1.00 0.00 H new ATOM 0 HA SER A 136 -16.675 1.594 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 136 -17.470 -0.466 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.417 -0.628 -4.389 1.00 0.00 H new ATOM 0 HG SER A 136 -16.209 -2.319 -4.024 1.00 0.00 H new ATOM 936 N ARG A 137 -14.011 0.604 -2.195 1.00 0.00 N ATOM 937 CA ARG A 137 -13.146 0.879 -1.047 1.00 0.00 C ATOM 938 C ARG A 137 -13.588 0.112 0.189 1.00 0.00 C ATOM 939 O ARG A 137 -13.701 0.675 1.281 1.00 0.00 O ATOM 940 CB ARG A 137 -13.082 2.380 -0.746 1.00 0.00 C ATOM 941 CG ARG A 137 -12.431 3.201 -1.838 1.00 0.00 C ATOM 942 CD ARG A 137 -12.528 4.680 -1.536 1.00 0.00 C ATOM 943 NE ARG A 137 -11.733 5.478 -2.459 1.00 0.00 N ATOM 944 CZ ARG A 137 -11.700 6.805 -2.460 1.00 0.00 C ATOM 945 NH1 ARG A 137 -12.475 7.491 -1.630 1.00 0.00 N ATOM 946 NH2 ARG A 137 -10.897 7.446 -3.296 1.00 0.00 N ATOM 0 H ARG A 137 -13.568 0.038 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.146 0.537 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.094 2.750 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.533 2.530 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.384 2.915 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.912 2.989 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -13.570 4.994 -1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.193 4.865 -0.515 1.00 0.00 H new ATOM 0 HE ARG A 137 -11.165 4.986 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -13.098 6.999 -0.989 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.448 8.511 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -10.305 6.920 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -10.871 8.466 -3.297 1.00 0.00 H new ATOM 960 N ASN A 138 -13.817 -1.174 0.024 1.00 0.00 N ATOM 961 CA ASN A 138 -14.202 -2.034 1.125 1.00 0.00 C ATOM 962 C ASN A 138 -13.932 -3.476 0.742 1.00 0.00 C ATOM 963 O ASN A 138 -13.512 -3.748 -0.386 1.00 0.00 O ATOM 964 CB ASN A 138 -15.682 -1.835 1.516 1.00 0.00 C ATOM 965 CG ASN A 138 -16.662 -2.237 0.426 1.00 0.00 C ATOM 966 OD1 ASN A 138 -17.082 -3.387 0.348 1.00 0.00 O ATOM 967 ND2 ASN A 138 -17.051 -1.286 -0.398 1.00 0.00 N ATOM 0 H ASN A 138 -13.742 -1.652 -0.874 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.608 -1.770 2.000 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -15.893 -2.416 2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.844 -0.787 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -17.725 -1.494 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -16.678 -0.342 -0.300 1.00 0.00 H new ATOM 974 N CYS A 139 -14.160 -4.391 1.655 1.00 0.00 N ATOM 975 CA CYS A 139 -13.904 -5.787 1.373 1.00 0.00 C ATOM 976 C CYS A 139 -15.214 -6.504 1.059 1.00 0.00 C ATOM 977 O CYS A 139 -16.159 -6.472 1.849 1.00 0.00 O ATOM 978 CB CYS A 139 -13.194 -6.461 2.564 1.00 0.00 C ATOM 979 SG CYS A 139 -11.771 -5.514 3.241 1.00 0.00 S ATOM 0 H CYS A 139 -14.518 -4.199 2.590 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.249 -5.853 0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -13.920 -6.619 3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -12.844 -7.445 2.252 1.00 0.00 H new ATOM 984 N VAL A 140 -15.263 -7.141 -0.091 1.00 0.00 N ATOM 985 CA VAL A 140 -16.446 -7.859 -0.526 1.00 0.00 C ATOM 986 C VAL A 140 -16.168 -9.349 -0.535 1.00 0.00 C ATOM 987 O VAL A 140 -15.019 -9.757 -0.561 1.00 0.00 O ATOM 988 CB VAL A 140 -16.901 -7.409 -1.938 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.299 -5.942 -1.928 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.806 -7.660 -2.969 1.00 0.00 C ATOM 0 H VAL A 140 -14.486 -7.177 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.249 -7.634 0.176 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.772 -8.002 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.615 -5.644 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.121 -5.793 -1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.447 -5.336 -1.622 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.150 -7.336 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.912 -7.100 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.572 -8.724 -2.999 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.209 -10.150 -0.508 1.00 0.00 N ATOM 1001 CA LEU A 141 -17.044 -11.594 -0.493 1.00 0.00 C ATOM 1002 C LEU A 141 -16.369 -12.087 -1.761 1.00 0.00 C ATOM 1003 O LEU A 141 -16.738 -11.697 -2.873 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.389 -12.296 -0.317 1.00 0.00 C ATOM 1005 CG LEU A 141 -19.039 -12.171 1.061 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -20.400 -12.828 1.053 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.156 -12.802 2.130 1.00 0.00 C ATOM 0 H LEU A 141 -18.178 -9.832 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.405 -11.837 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -19.082 -11.901 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.255 -13.355 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 141 -19.158 -11.113 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -20.855 -12.734 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -21.035 -12.341 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -20.293 -13.883 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.636 -12.703 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -18.009 -13.858 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -17.190 -12.297 2.149 1.00 0.00 H new ATOM 1019 N ASP A 142 -15.383 -12.937 -1.590 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.694 -13.522 -2.714 1.00 0.00 C ATOM 1021 C ASP A 142 -15.273 -14.881 -2.978 1.00 0.00 C ATOM 1022 O ASP A 142 -14.855 -15.883 -2.390 1.00 0.00 O ATOM 1023 CB ASP A 142 -13.185 -13.617 -2.471 1.00 0.00 C ATOM 1024 CG ASP A 142 -12.450 -14.226 -3.653 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -12.693 -13.791 -4.806 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.614 -15.128 -3.439 1.00 0.00 O ATOM 0 H ASP A 142 -15.040 -13.239 -0.678 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.833 -12.880 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.788 -12.622 -2.272 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.999 -14.218 -1.581 1.00 0.00 H new