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 Single : A 84 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0267) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.8!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HE2:sc= -4.63! C(o=-4.6!,f=-7.5!) USER MOD Single : A 105 ASN : amide:sc= 0.314 X(o=0.31,f=-0.022) USER MOD Single : A 107 HIS : no HE2:sc= -0.979 K(o=-0.98,f=-2.7!) USER MOD Single : A 108 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.192) 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+ 167:sc= 1.11 (180deg=0.759) USER MOD Single : A 115 SER OG : rot 130:sc= 1.02 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 151:sc= -1 (180deg=-3.26!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 0:sc= 0.775 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 80:sc= 0.981 USER MOD Single : A 138 ASN : amide:sc= -0.733 K(o=-0.73,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 6.937 3.807 -3.533 1.00 0.00 N ATOM 62 CA ASP A 80 6.673 2.384 -3.639 1.00 0.00 C ATOM 63 C ASP A 80 7.355 1.618 -2.518 1.00 0.00 C ATOM 64 O ASP A 80 8.577 1.602 -2.407 1.00 0.00 O ATOM 65 CB ASP A 80 7.084 1.818 -5.022 1.00 0.00 C ATOM 66 CG ASP A 80 8.580 1.781 -5.261 1.00 0.00 C ATOM 67 OD1 ASP A 80 9.196 2.858 -5.392 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.145 0.661 -5.346 1.00 0.00 O ATOM 0 HA ASP A 80 5.596 2.250 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.687 0.808 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.618 2.421 -5.801 1.00 0.00 H new ATOM 73 N LEU A 81 6.557 1.019 -1.665 1.00 0.00 N ATOM 74 CA LEU A 81 7.087 0.219 -0.580 1.00 0.00 C ATOM 75 C LEU A 81 7.080 -1.237 -0.980 1.00 0.00 C ATOM 76 O LEU A 81 6.143 -1.703 -1.627 1.00 0.00 O ATOM 77 CB LEU A 81 6.275 0.412 0.707 1.00 0.00 C ATOM 78 CG LEU A 81 6.816 -0.329 1.940 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.166 0.229 2.358 1.00 0.00 C ATOM 80 CD2 LEU A 81 5.831 -0.264 3.092 1.00 0.00 C ATOM 0 H LEU A 81 5.539 1.069 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 81 8.108 0.544 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.231 1.477 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.252 0.083 0.525 1.00 0.00 H new ATOM 0 HG LEU A 81 6.948 -1.376 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.528 -0.312 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.877 0.113 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.063 1.286 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.240 -0.796 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.654 0.777 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.890 -0.726 2.793 1.00 0.00 H new ATOM 92 N ILE A 82 8.116 -1.957 -0.616 1.00 0.00 N ATOM 93 CA ILE A 82 8.190 -3.355 -0.950 1.00 0.00 C ATOM 94 C ILE A 82 7.794 -4.185 0.255 1.00 0.00 C ATOM 95 O ILE A 82 8.070 -3.805 1.391 1.00 0.00 O ATOM 96 CB ILE A 82 9.604 -3.774 -1.407 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.244 -2.693 -2.268 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.523 -5.067 -2.192 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.642 -3.043 -2.729 1.00 0.00 C ATOM 0 H ILE A 82 8.914 -1.598 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 82 7.505 -3.528 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 82 10.222 -3.918 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.616 -2.514 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.278 -1.761 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.522 -5.361 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.100 -5.849 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.888 -4.923 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.039 -2.230 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.284 -3.194 -1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.612 -3.958 -3.321 1.00 0.00 H new ATOM 111 N VAL A 83 7.155 -5.309 0.011 1.00 0.00 N ATOM 112 CA VAL A 83 6.711 -6.194 1.073 1.00 0.00 C ATOM 113 C VAL A 83 6.874 -7.642 0.633 1.00 0.00 C ATOM 114 O VAL A 83 7.254 -7.908 -0.506 1.00 0.00 O ATOM 115 CB VAL A 83 5.231 -5.948 1.457 1.00 0.00 C ATOM 116 CG1 VAL A 83 5.053 -4.599 2.141 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.343 -6.042 0.233 1.00 0.00 C ATOM 0 H VAL A 83 6.927 -5.637 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 83 7.326 -5.987 1.949 1.00 0.00 H new ATOM 0 HB VAL A 83 4.936 -6.723 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.003 -4.457 2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.656 -4.569 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.372 -3.804 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.307 -5.867 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.649 -5.292 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.434 -7.035 -0.207 1.00 0.00 H new ATOM 127 N HIS A 84 6.586 -8.559 1.529 1.00 0.00 N ATOM 128 CA HIS A 84 6.704 -9.976 1.223 1.00 0.00 C ATOM 129 C HIS A 84 5.366 -10.685 1.302 1.00 0.00 C ATOM 130 O HIS A 84 4.702 -10.677 2.339 1.00 0.00 O ATOM 131 CB HIS A 84 7.720 -10.667 2.141 1.00 0.00 C ATOM 132 CG HIS A 84 9.153 -10.402 1.779 1.00 0.00 C ATOM 133 ND1 HIS A 84 9.948 -11.316 1.115 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.941 -9.326 2.007 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.155 -10.810 0.952 1.00 0.00 C ATOM 136 NE2 HIS A 84 11.177 -9.604 1.484 1.00 0.00 N ATOM 0 H HIS A 84 6.268 -8.354 2.476 1.00 0.00 H new ATOM 0 HA HIS A 84 7.063 -10.043 0.196 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.549 -10.339 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.543 -11.742 2.117 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.648 -12.239 0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.650 -8.415 2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.985 -11.301 0.465 1.00 0.00 H new ATOM 145 N GLU A 85 4.970 -11.279 0.192 1.00 0.00 N ATOM 146 CA GLU A 85 3.750 -12.064 0.117 1.00 0.00 C ATOM 147 C GLU A 85 4.074 -13.441 -0.428 1.00 0.00 C ATOM 148 O GLU A 85 4.539 -13.575 -1.563 1.00 0.00 O ATOM 149 CB GLU A 85 2.700 -11.391 -0.768 1.00 0.00 C ATOM 150 CG GLU A 85 2.237 -10.041 -0.265 1.00 0.00 C ATOM 151 CD GLU A 85 1.070 -9.504 -1.053 1.00 0.00 C ATOM 152 OE1 GLU A 85 1.284 -8.935 -2.137 1.00 0.00 O ATOM 153 OE2 GLU A 85 -0.075 -9.629 -0.581 1.00 0.00 O ATOM 0 H GLU A 85 5.486 -11.231 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 85 3.334 -12.146 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.109 -11.271 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.836 -12.050 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 85 1.956 -10.124 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.064 -9.333 -0.318 1.00 0.00 H new ATOM 160 N GLY A 86 3.863 -14.459 0.388 1.00 0.00 N ATOM 161 CA GLY A 86 4.170 -15.812 -0.026 1.00 0.00 C ATOM 162 C GLY A 86 5.660 -16.008 -0.196 1.00 0.00 C ATOM 163 O GLY A 86 6.105 -16.898 -0.922 1.00 0.00 O ATOM 0 H GLY A 86 3.484 -14.374 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.790 -16.516 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.662 -16.032 -0.965 1.00 0.00 H new ATOM 167 N GLY A 87 6.427 -15.175 0.488 1.00 0.00 N ATOM 168 CA GLY A 87 7.866 -15.225 0.391 1.00 0.00 C ATOM 169 C GLY A 87 8.417 -14.271 -0.654 1.00 0.00 C ATOM 170 O GLY A 87 9.533 -13.772 -0.518 1.00 0.00 O ATOM 0 H GLY A 87 6.070 -14.456 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.300 -14.984 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.174 -16.242 0.147 1.00 0.00 H new ATOM 174 N LYS A 88 7.620 -13.983 -1.673 1.00 0.00 N ATOM 175 CA LYS A 88 8.056 -13.129 -2.775 1.00 0.00 C ATOM 176 C LYS A 88 7.857 -11.658 -2.441 1.00 0.00 C ATOM 177 O LYS A 88 7.020 -11.311 -1.611 1.00 0.00 O ATOM 178 CB LYS A 88 7.301 -13.490 -4.056 1.00 0.00 C ATOM 179 CG LYS A 88 7.731 -14.810 -4.682 1.00 0.00 C ATOM 180 CD LYS A 88 9.140 -14.717 -5.257 1.00 0.00 C ATOM 181 CE LYS A 88 9.559 -16.014 -5.937 1.00 0.00 C ATOM 182 NZ LYS A 88 9.720 -17.128 -4.968 1.00 0.00 N ATOM 0 H LYS A 88 6.664 -14.328 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 88 9.121 -13.298 -2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.235 -13.536 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.442 -12.692 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.693 -15.600 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.031 -15.086 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.186 -13.898 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.844 -14.481 -4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.813 -16.289 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.498 -15.857 -6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.103 -17.962 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.374 -16.839 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.796 -17.364 -4.554 1.00 0.00 H new ATOM 196 N THR A 89 8.636 -10.803 -3.074 1.00 0.00 N ATOM 197 CA THR A 89 8.547 -9.379 -2.845 1.00 0.00 C ATOM 198 C THR A 89 7.594 -8.711 -3.836 1.00 0.00 C ATOM 199 O THR A 89 7.602 -9.021 -5.026 1.00 0.00 O ATOM 200 CB THR A 89 9.928 -8.721 -2.958 1.00 0.00 C ATOM 201 OG1 THR A 89 10.883 -9.674 -3.449 1.00 0.00 O ATOM 202 CG2 THR A 89 10.384 -8.191 -1.610 1.00 0.00 C ATOM 0 H THR A 89 9.343 -11.076 -3.757 1.00 0.00 H new ATOM 0 HA THR A 89 8.159 -9.242 -1.836 1.00 0.00 H new ATOM 0 HB THR A 89 9.855 -7.885 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.763 -9.248 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.366 -7.729 -1.714 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.670 -7.450 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.444 -9.013 -0.897 1.00 0.00 H new ATOM 210 N TYR A 90 6.777 -7.802 -3.334 1.00 0.00 N ATOM 211 CA TYR A 90 5.835 -7.060 -4.157 1.00 0.00 C ATOM 212 C TYR A 90 5.940 -5.582 -3.841 1.00 0.00 C ATOM 213 O TYR A 90 6.196 -5.207 -2.695 1.00 0.00 O ATOM 214 CB TYR A 90 4.398 -7.533 -3.910 1.00 0.00 C ATOM 215 CG TYR A 90 4.119 -8.936 -4.390 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.404 -10.033 -3.592 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.563 -9.162 -5.642 1.00 0.00 C ATOM 218 CE1 TYR A 90 4.148 -11.314 -4.025 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.302 -10.442 -6.083 1.00 0.00 C ATOM 220 CZ TYR A 90 3.596 -11.513 -5.269 1.00 0.00 C ATOM 221 OH TYR A 90 3.334 -12.791 -5.700 1.00 0.00 O ATOM 0 H TYR A 90 6.747 -7.557 -2.344 1.00 0.00 H new ATOM 0 HA TYR A 90 6.082 -7.235 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.187 -7.478 -2.842 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.711 -6.848 -4.406 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.834 -9.880 -2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.331 -8.322 -6.280 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.379 -12.158 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.870 -10.603 -7.060 1.00 0.00 H new ATOM 0 HH TYR A 90 2.944 -12.760 -6.599 1.00 0.00 H new ATOM 231 N HIS A 91 5.759 -4.750 -4.842 1.00 0.00 N ATOM 232 CA HIS A 91 5.829 -3.309 -4.650 1.00 0.00 C ATOM 233 C HIS A 91 4.441 -2.722 -4.519 1.00 0.00 C ATOM 234 O HIS A 91 3.497 -3.181 -5.160 1.00 0.00 O ATOM 235 CB HIS A 91 6.566 -2.623 -5.813 1.00 0.00 C ATOM 236 CG HIS A 91 8.030 -2.929 -5.884 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.011 -1.959 -5.823 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.682 -4.106 -6.033 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.192 -2.528 -5.935 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.019 -3.827 -6.061 1.00 0.00 N ATOM 0 H HIS A 91 5.562 -5.041 -5.799 1.00 0.00 H new ATOM 0 HA HIS A 91 6.387 -3.130 -3.731 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.099 -2.923 -6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.437 -1.544 -5.723 1.00 0.00 H new ATOM 0 HD1 HIS A 91 8.846 -0.959 -5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.230 -5.083 -6.115 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.143 -2.016 -5.925 1.00 0.00 H new ATOM 249 N VAL A 92 4.315 -1.729 -3.675 1.00 0.00 N ATOM 250 CA VAL A 92 3.064 -1.036 -3.496 1.00 0.00 C ATOM 251 C VAL A 92 3.224 0.382 -3.982 1.00 0.00 C ATOM 252 O VAL A 92 4.034 1.133 -3.450 1.00 0.00 O ATOM 253 CB VAL A 92 2.633 -1.003 -2.021 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.289 -0.307 -1.868 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.587 -2.405 -1.434 1.00 0.00 C ATOM 0 H VAL A 92 5.076 -1.378 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 92 2.299 -1.567 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 92 3.377 -0.432 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.003 -0.295 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.365 0.717 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.534 -0.843 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.279 -2.352 -0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.873 -3.010 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.576 -2.859 -1.498 1.00 0.00 H new ATOM 265 N VAL A 93 2.457 0.744 -4.977 1.00 0.00 N ATOM 266 CA VAL A 93 2.537 2.063 -5.560 1.00 0.00 C ATOM 267 C VAL A 93 1.185 2.738 -5.442 1.00 0.00 C ATOM 268 O VAL A 93 0.152 2.101 -5.660 1.00 0.00 O ATOM 269 CB VAL A 93 2.940 1.998 -7.059 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.155 3.395 -7.628 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.185 1.143 -7.252 1.00 0.00 C ATOM 0 H VAL A 93 1.760 0.136 -5.407 1.00 0.00 H new ATOM 0 HA VAL A 93 3.300 2.628 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 93 2.119 1.532 -7.604 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.436 3.321 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.233 3.970 -7.539 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.950 3.895 -7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.446 1.114 -8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.012 1.572 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.990 0.131 -6.898 1.00 0.00 H new ATOM 281 N CYS A 94 1.182 3.998 -5.087 1.00 0.00 N ATOM 282 CA CYS A 94 -0.060 4.728 -4.942 1.00 0.00 C ATOM 283 C CYS A 94 -0.168 5.836 -5.976 1.00 0.00 C ATOM 284 O CYS A 94 0.604 6.796 -5.960 1.00 0.00 O ATOM 285 CB CYS A 94 -0.187 5.279 -3.529 1.00 0.00 C ATOM 286 SG CYS A 94 -0.259 3.988 -2.250 1.00 0.00 S ATOM 0 H CYS A 94 2.022 4.542 -4.892 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.886 4.038 -5.116 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.660 5.934 -3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.086 5.892 -3.466 1.00 0.00 H new ATOM 291 N HIS A 95 -1.124 5.687 -6.883 1.00 0.00 N ATOM 292 CA HIS A 95 -1.334 6.655 -7.953 1.00 0.00 C ATOM 293 C HIS A 95 -2.137 7.859 -7.456 1.00 0.00 C ATOM 294 O HIS A 95 -2.036 8.954 -8.011 1.00 0.00 O ATOM 295 CB HIS A 95 -2.053 5.978 -9.139 1.00 0.00 C ATOM 296 CG HIS A 95 -2.151 6.822 -10.386 1.00 0.00 C ATOM 297 ND1 HIS A 95 -1.298 6.680 -11.460 1.00 0.00 N ATOM 298 CD2 HIS A 95 -3.013 7.808 -10.729 1.00 0.00 C ATOM 299 CE1 HIS A 95 -1.631 7.537 -12.403 1.00 0.00 C ATOM 300 NE2 HIS A 95 -2.668 8.232 -11.985 1.00 0.00 N ATOM 0 H HIS A 95 -1.771 4.899 -6.899 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.362 7.018 -8.286 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.529 5.054 -9.383 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.059 5.701 -8.825 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.823 8.190 -10.124 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.137 7.650 -13.357 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.139 8.968 -12.512 1.00 0.00 H new ATOM 309 N GLU A 96 -2.912 7.659 -6.399 1.00 0.00 N ATOM 310 CA GLU A 96 -3.751 8.722 -5.859 1.00 0.00 C ATOM 311 C GLU A 96 -4.027 8.488 -4.378 1.00 0.00 C ATOM 312 O GLU A 96 -3.721 7.416 -3.843 1.00 0.00 O ATOM 313 CB GLU A 96 -5.071 8.812 -6.639 1.00 0.00 C ATOM 314 CG GLU A 96 -5.909 7.542 -6.589 1.00 0.00 C ATOM 315 CD GLU A 96 -7.158 7.640 -7.433 1.00 0.00 C ATOM 316 OE1 GLU A 96 -8.119 8.311 -7.008 1.00 0.00 O ATOM 317 OE2 GLU A 96 -7.190 7.040 -8.528 1.00 0.00 O ATOM 0 H GLU A 96 -2.978 6.773 -5.899 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.218 9.667 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.660 9.639 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.850 9.048 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.308 6.700 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.188 7.335 -5.556 1.00 0.00 H new ATOM 324 N GLU A 97 -4.595 9.485 -3.724 1.00 0.00 N ATOM 325 CA GLU A 97 -4.913 9.392 -2.311 1.00 0.00 C ATOM 326 C GLU A 97 -6.166 8.540 -2.102 1.00 0.00 C ATOM 327 O GLU A 97 -7.274 8.939 -2.484 1.00 0.00 O ATOM 328 CB GLU A 97 -5.117 10.789 -1.698 1.00 0.00 C ATOM 329 CG GLU A 97 -3.865 11.677 -1.666 1.00 0.00 C ATOM 330 CD GLU A 97 -3.374 12.092 -3.045 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.210 12.466 -3.893 1.00 0.00 O ATOM 332 OE2 GLU A 97 -2.143 12.054 -3.282 1.00 0.00 O ATOM 0 H GLU A 97 -4.847 10.375 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.072 8.916 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.895 11.305 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.486 10.671 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.080 12.572 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.066 11.144 -1.151 1.00 0.00 H new ATOM 339 N GLY A 98 -5.986 7.364 -1.528 1.00 0.00 N ATOM 340 CA GLY A 98 -7.106 6.483 -1.282 1.00 0.00 C ATOM 341 C GLY A 98 -6.671 5.056 -1.038 1.00 0.00 C ATOM 342 O GLY A 98 -5.516 4.710 -1.289 1.00 0.00 O ATOM 0 H GLY A 98 -5.081 7.002 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.665 6.843 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.783 6.513 -2.135 1.00 0.00 H new ATOM 346 N PRO A 99 -7.569 4.213 -0.519 1.00 0.00 N ATOM 347 CA PRO A 99 -7.281 2.808 -0.265 1.00 0.00 C ATOM 348 C PRO A 99 -7.513 1.928 -1.501 1.00 0.00 C ATOM 349 O PRO A 99 -8.524 2.061 -2.192 1.00 0.00 O ATOM 350 CB PRO A 99 -8.276 2.455 0.836 1.00 0.00 C ATOM 351 CG PRO A 99 -9.457 3.333 0.577 1.00 0.00 C ATOM 352 CD PRO A 99 -8.942 4.573 -0.118 1.00 0.00 C ATOM 0 HA PRO A 99 -6.238 2.641 0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.551 1.401 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.855 2.639 1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.191 2.819 -0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.956 3.593 1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.555 4.831 -0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.950 5.436 0.548 1.00 0.00 H new ATOM 360 N ILE A 100 -6.574 1.039 -1.763 1.00 0.00 N ATOM 361 CA ILE A 100 -6.660 0.122 -2.897 1.00 0.00 C ATOM 362 C ILE A 100 -6.161 -1.272 -2.500 1.00 0.00 C ATOM 363 O ILE A 100 -5.412 -1.402 -1.537 1.00 0.00 O ATOM 364 CB ILE A 100 -5.872 0.654 -4.142 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.585 1.404 -3.731 1.00 0.00 C ATOM 366 CG2 ILE A 100 -6.762 1.548 -5.000 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.481 0.517 -3.195 1.00 0.00 C ATOM 0 H ILE A 100 -5.730 0.928 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.710 0.053 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.572 -0.212 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.207 1.950 -4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.839 2.144 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.196 1.907 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.625 0.978 -5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.102 2.398 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.618 1.129 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.835 -0.010 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.194 -0.207 -3.957 1.00 0.00 H new ATOM 379 N PRO A 101 -6.587 -2.335 -3.220 1.00 0.00 N ATOM 380 CA PRO A 101 -6.174 -3.719 -2.918 1.00 0.00 C ATOM 381 C PRO A 101 -4.668 -3.933 -3.091 1.00 0.00 C ATOM 382 O PRO A 101 -3.961 -3.087 -3.656 1.00 0.00 O ATOM 383 CB PRO A 101 -6.946 -4.558 -3.943 1.00 0.00 C ATOM 384 CG PRO A 101 -7.267 -3.606 -5.040 1.00 0.00 C ATOM 385 CD PRO A 101 -7.500 -2.285 -4.371 1.00 0.00 C ATOM 0 HA PRO A 101 -6.384 -3.983 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.346 -5.393 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.851 -4.982 -3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.448 -3.543 -5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.150 -3.927 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.270 -1.450 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.538 -2.168 -4.059 1.00 0.00 H new ATOM 393 N HIS A 102 -4.186 -5.075 -2.631 1.00 0.00 N ATOM 394 CA HIS A 102 -2.774 -5.385 -2.695 1.00 0.00 C ATOM 395 C HIS A 102 -2.483 -6.188 -3.957 1.00 0.00 C ATOM 396 O HIS A 102 -3.253 -7.075 -4.314 1.00 0.00 O ATOM 397 CB HIS A 102 -2.347 -6.177 -1.450 1.00 0.00 C ATOM 398 CG HIS A 102 -0.941 -5.909 -1.020 1.00 0.00 C ATOM 399 ND1 HIS A 102 0.133 -6.664 -1.415 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.436 -4.939 -0.231 1.00 0.00 C ATOM 401 CE1 HIS A 102 1.233 -6.169 -0.895 1.00 0.00 C ATOM 402 NE2 HIS A 102 0.916 -5.122 -0.172 1.00 0.00 N ATOM 0 H HIS A 102 -4.759 -5.805 -2.207 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.205 -4.456 -2.725 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.021 -5.936 -0.628 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.459 -7.242 -1.652 1.00 0.00 H new ATOM 0 HD1 HIS A 102 0.085 -7.484 -2.020 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.998 -4.160 0.263 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.230 -6.559 -1.039 1.00 0.00 H new ATOM 411 N PRO A 103 -1.369 -5.879 -4.649 1.00 0.00 N ATOM 412 CA PRO A 103 -0.985 -6.556 -5.901 1.00 0.00 C ATOM 413 C PRO A 103 -0.932 -8.085 -5.768 1.00 0.00 C ATOM 414 O PRO A 103 -1.509 -8.808 -6.583 1.00 0.00 O ATOM 415 CB PRO A 103 0.416 -5.986 -6.203 1.00 0.00 C ATOM 416 CG PRO A 103 0.853 -5.334 -4.934 1.00 0.00 C ATOM 417 CD PRO A 103 -0.397 -4.842 -4.284 1.00 0.00 C ATOM 0 HA PRO A 103 -1.714 -6.378 -6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.107 -6.775 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.381 -5.269 -7.023 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.377 -6.041 -4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.541 -4.512 -5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.285 -4.752 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.690 -3.861 -4.657 1.00 0.00 H new ATOM 425 N GLY A 104 -0.238 -8.567 -4.746 1.00 0.00 N ATOM 426 CA GLY A 104 -0.127 -9.994 -4.535 1.00 0.00 C ATOM 427 C GLY A 104 -1.427 -10.616 -4.065 1.00 0.00 C ATOM 428 O GLY A 104 -2.023 -11.435 -4.772 1.00 0.00 O ATOM 0 H GLY A 104 0.250 -7.993 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.185 -10.472 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.652 -10.189 -3.798 1.00 0.00 H new ATOM 432 N ASN A 105 -1.866 -10.241 -2.877 1.00 0.00 N ATOM 433 CA ASN A 105 -3.101 -10.777 -2.324 1.00 0.00 C ATOM 434 C ASN A 105 -4.148 -9.698 -2.167 1.00 0.00 C ATOM 435 O ASN A 105 -4.047 -8.859 -1.271 1.00 0.00 O ATOM 436 CB ASN A 105 -2.859 -11.426 -0.955 1.00 0.00 C ATOM 437 CG ASN A 105 -1.943 -12.624 -1.010 1.00 0.00 C ATOM 438 OD1 ASN A 105 -2.391 -13.757 -1.208 1.00 0.00 O ATOM 439 ND2 ASN A 105 -0.663 -12.391 -0.812 1.00 0.00 N ATOM 0 H ASN A 105 -1.388 -9.569 -2.276 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.459 -11.529 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -2.433 -10.684 -0.280 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.816 -11.730 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 105 0.003 -13.164 -0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.337 -11.438 -0.652 1.00 0.00 H new ATOM 446 N VAL A 106 -5.142 -9.694 -3.056 1.00 0.00 N ATOM 447 CA VAL A 106 -6.293 -8.779 -2.938 1.00 0.00 C ATOM 448 C VAL A 106 -7.013 -8.928 -1.583 1.00 0.00 C ATOM 449 O VAL A 106 -7.852 -8.103 -1.219 1.00 0.00 O ATOM 450 CB VAL A 106 -7.303 -8.986 -4.087 1.00 0.00 C ATOM 451 CG1 VAL A 106 -6.700 -8.541 -5.410 1.00 0.00 C ATOM 452 CG2 VAL A 106 -7.740 -10.441 -4.161 1.00 0.00 C ATOM 0 H VAL A 106 -5.179 -10.311 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.888 -7.769 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.183 -8.375 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.425 -8.694 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.439 -7.484 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -5.804 -9.126 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.452 -10.566 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.870 -11.074 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.212 -10.727 -3.221 1.00 0.00 H new ATOM 462 N HIS A 107 -6.670 -9.992 -0.849 1.00 0.00 N ATOM 463 CA HIS A 107 -7.190 -10.229 0.502 1.00 0.00 C ATOM 464 C HIS A 107 -6.670 -9.143 1.468 1.00 0.00 C ATOM 465 O HIS A 107 -7.111 -9.039 2.617 1.00 0.00 O ATOM 466 CB HIS A 107 -6.765 -11.635 0.984 1.00 0.00 C ATOM 467 CG HIS A 107 -7.063 -11.920 2.430 1.00 0.00 C ATOM 468 ND1 HIS A 107 -6.078 -12.113 3.375 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.235 -12.025 3.089 1.00 0.00 C ATOM 470 CE1 HIS A 107 -6.631 -12.324 4.548 1.00 0.00 C ATOM 471 NE2 HIS A 107 -7.941 -12.274 4.409 1.00 0.00 N ATOM 0 H HIS A 107 -6.025 -10.712 -1.174 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.279 -10.179 0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -7.267 -12.382 0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.694 -11.753 0.818 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -5.075 -12.095 3.192 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.221 -11.931 2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -6.101 -12.508 5.471 1.00 0.00 H new ATOM 480 N LYS A 108 -5.755 -8.334 0.980 1.00 0.00 N ATOM 481 CA LYS A 108 -5.177 -7.266 1.752 1.00 0.00 C ATOM 482 C LYS A 108 -5.256 -5.999 0.952 1.00 0.00 C ATOM 483 O LYS A 108 -5.354 -6.045 -0.273 1.00 0.00 O ATOM 484 CB LYS A 108 -3.721 -7.556 2.099 1.00 0.00 C ATOM 485 CG LYS A 108 -3.516 -8.813 2.911 1.00 0.00 C ATOM 486 CD LYS A 108 -2.140 -8.840 3.540 1.00 0.00 C ATOM 487 CE LYS A 108 -1.034 -8.901 2.495 1.00 0.00 C ATOM 488 NZ LYS A 108 0.273 -9.269 3.096 1.00 0.00 N ATOM 0 H LYS A 108 -5.392 -8.403 0.029 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.732 -7.168 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.148 -7.636 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.316 -6.709 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.276 -8.874 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.644 -9.687 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.006 -7.952 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.061 -9.703 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.299 -9.628 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.947 -7.933 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.037 -9.057 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.419 -8.724 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.279 -10.285 3.317 1.00 0.00 H new ATOM 502 N TYR A 109 -5.216 -4.880 1.618 1.00 0.00 N ATOM 503 CA TYR A 109 -5.291 -3.617 0.921 1.00 0.00 C ATOM 504 C TYR A 109 -4.384 -2.589 1.557 1.00 0.00 C ATOM 505 O TYR A 109 -3.879 -2.794 2.653 1.00 0.00 O ATOM 506 CB TYR A 109 -6.739 -3.118 0.828 1.00 0.00 C ATOM 507 CG TYR A 109 -7.297 -2.455 2.071 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.708 -3.196 3.177 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.437 -1.077 2.117 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.240 -2.570 4.290 1.00 0.00 C ATOM 511 CE2 TYR A 109 -7.961 -0.449 3.221 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.362 -1.196 4.305 1.00 0.00 C ATOM 513 OH TYR A 109 -8.891 -0.564 5.407 1.00 0.00 O ATOM 0 H TYR A 109 -5.133 -4.810 2.632 1.00 0.00 H new ATOM 0 HA TYR A 109 -4.938 -3.776 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.805 -2.410 0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.378 -3.964 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.610 -4.271 3.165 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.128 -0.485 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.558 -3.153 5.142 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.058 0.627 3.238 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.905 0.404 5.254 1.00 0.00 H new ATOM 523 N ILE A 110 -4.171 -1.493 0.871 1.00 0.00 N ATOM 524 CA ILE A 110 -3.309 -0.450 1.369 1.00 0.00 C ATOM 525 C ILE A 110 -4.037 0.873 1.366 1.00 0.00 C ATOM 526 O ILE A 110 -4.779 1.178 0.436 1.00 0.00 O ATOM 527 CB ILE A 110 -2.016 -0.286 0.519 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.429 -1.637 0.113 1.00 0.00 C ATOM 529 CG2 ILE A 110 -0.982 0.524 1.280 1.00 0.00 C ATOM 530 CD1 ILE A 110 -1.921 -2.136 -1.234 1.00 0.00 C ATOM 0 H ILE A 110 -4.586 -1.300 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.027 -0.742 2.381 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.289 0.246 -0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.342 -1.558 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.676 -2.375 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.083 0.630 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.386 1.511 1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.733 0.014 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.462 -3.100 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.005 -2.248 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.650 -1.419 -2.009 1.00 0.00 H new ATOM 542 N ILE A 111 -3.835 1.643 2.406 1.00 0.00 N ATOM 543 CA ILE A 111 -4.391 2.967 2.476 1.00 0.00 C ATOM 544 C ILE A 111 -3.315 3.946 2.082 1.00 0.00 C ATOM 545 O ILE A 111 -2.284 4.038 2.754 1.00 0.00 O ATOM 546 CB ILE A 111 -4.905 3.339 3.897 1.00 0.00 C ATOM 547 CG1 ILE A 111 -6.006 2.382 4.365 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.413 4.775 3.920 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.489 1.095 4.964 1.00 0.00 C ATOM 0 H ILE A 111 -3.285 1.371 3.221 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.249 3.003 1.805 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.065 3.247 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.626 2.891 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.650 2.144 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.769 5.019 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.603 5.452 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.231 4.883 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.330 0.473 5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.894 0.562 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.870 1.321 5.832 1.00 0.00 H new ATOM 561 N CYS A 112 -3.521 4.652 1.001 1.00 0.00 N ATOM 562 CA CYS A 112 -2.543 5.611 0.557 1.00 0.00 C ATOM 563 C CYS A 112 -2.925 6.982 1.065 1.00 0.00 C ATOM 564 O CYS A 112 -4.020 7.477 0.773 1.00 0.00 O ATOM 565 CB CYS A 112 -2.464 5.615 -0.965 1.00 0.00 C ATOM 566 SG CYS A 112 -2.206 3.966 -1.696 1.00 0.00 S ATOM 0 H CYS A 112 -4.352 4.582 0.414 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.564 5.340 0.951 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.385 6.039 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.650 6.270 -1.275 1.00 0.00 H new ATOM 571 N SER A 113 -2.038 7.592 1.816 1.00 0.00 N ATOM 572 CA SER A 113 -2.296 8.887 2.383 1.00 0.00 C ATOM 573 C SER A 113 -1.130 9.823 2.102 1.00 0.00 C ATOM 574 O SER A 113 0.018 9.386 1.976 1.00 0.00 O ATOM 575 CB SER A 113 -2.536 8.760 3.892 1.00 0.00 C ATOM 576 OG SER A 113 -3.007 9.977 4.450 1.00 0.00 O ATOM 0 H SER A 113 -1.124 7.204 2.048 1.00 0.00 H new ATOM 0 HA SER A 113 -3.192 9.305 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.261 7.968 4.080 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.609 8.468 4.385 1.00 0.00 H new ATOM 0 HG SER A 113 -3.151 9.861 5.412 1.00 0.00 H new ATOM 582 N LYS A 114 -1.428 11.091 1.979 1.00 0.00 N ATOM 583 CA LYS A 114 -0.421 12.087 1.715 1.00 0.00 C ATOM 584 C LYS A 114 -0.075 12.874 2.955 1.00 0.00 C ATOM 585 O LYS A 114 -0.941 13.206 3.761 1.00 0.00 O ATOM 586 CB LYS A 114 -0.895 13.041 0.622 1.00 0.00 C ATOM 587 CG LYS A 114 -0.438 12.668 -0.766 1.00 0.00 C ATOM 588 CD LYS A 114 0.926 13.246 -1.072 1.00 0.00 C ATOM 589 CE LYS A 114 1.373 12.888 -2.475 1.00 0.00 C ATOM 590 NZ LYS A 114 0.353 13.246 -3.501 1.00 0.00 N ATOM 0 H LYS A 114 -2.375 11.462 2.059 1.00 0.00 H new ATOM 0 HA LYS A 114 0.476 11.564 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.984 13.079 0.636 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.538 14.045 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.404 11.583 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.160 13.029 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.897 14.330 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 114 1.652 12.872 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.307 13.403 -2.699 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.578 11.819 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.779 13.191 -4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.446 12.583 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.013 14.214 -3.330 1.00 0.00 H new ATOM 604 N SER A 115 1.189 13.154 3.102 1.00 0.00 N ATOM 605 CA SER A 115 1.684 13.992 4.150 1.00 0.00 C ATOM 606 C SER A 115 2.464 15.106 3.502 1.00 0.00 C ATOM 607 O SER A 115 3.690 15.048 3.384 1.00 0.00 O ATOM 608 CB SER A 115 2.550 13.197 5.117 1.00 0.00 C ATOM 609 OG SER A 115 1.760 12.273 5.851 1.00 0.00 O ATOM 0 H SER A 115 1.917 12.797 2.482 1.00 0.00 H new ATOM 0 HA SER A 115 0.861 14.402 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.325 12.664 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.056 13.876 5.803 1.00 0.00 H new ATOM 0 HG SER A 115 2.171 11.385 5.808 1.00 0.00 H new ATOM 615 N GLY A 116 1.733 16.080 3.020 1.00 0.00 N ATOM 616 CA GLY A 116 2.328 17.151 2.281 1.00 0.00 C ATOM 617 C GLY A 116 2.741 16.680 0.905 1.00 0.00 C ATOM 618 O GLY A 116 1.896 16.476 0.031 1.00 0.00 O ATOM 0 H GLY A 116 0.721 16.148 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.621 17.976 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 116 3.197 17.532 2.817 1.00 0.00 H new ATOM 622 N SER A 117 4.026 16.478 0.721 1.00 0.00 N ATOM 623 CA SER A 117 4.553 16.000 -0.542 1.00 0.00 C ATOM 624 C SER A 117 5.133 14.595 -0.400 1.00 0.00 C ATOM 625 O SER A 117 5.867 14.123 -1.269 1.00 0.00 O ATOM 626 CB SER A 117 5.616 16.966 -1.050 1.00 0.00 C ATOM 627 OG SER A 117 6.536 17.301 -0.016 1.00 0.00 O ATOM 0 H SER A 117 4.734 16.639 1.437 1.00 0.00 H new ATOM 0 HA SER A 117 3.737 15.950 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.151 16.517 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.140 17.872 -1.426 1.00 0.00 H new ATOM 0 HG SER A 117 7.210 17.921 -0.366 1.00 0.00 H new ATOM 633 N LEU A 118 4.785 13.922 0.676 1.00 0.00 N ATOM 634 CA LEU A 118 5.312 12.592 0.938 1.00 0.00 C ATOM 635 C LEU A 118 4.178 11.594 1.072 1.00 0.00 C ATOM 636 O LEU A 118 3.116 11.924 1.598 1.00 0.00 O ATOM 637 CB LEU A 118 6.166 12.594 2.211 1.00 0.00 C ATOM 638 CG LEU A 118 7.002 11.327 2.453 1.00 0.00 C ATOM 639 CD1 LEU A 118 7.950 11.076 1.290 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.782 11.445 3.750 1.00 0.00 C ATOM 0 H LEU A 118 4.140 14.270 1.385 1.00 0.00 H new ATOM 0 HA LEU A 118 5.941 12.299 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.840 13.450 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.509 12.743 3.068 1.00 0.00 H new ATOM 0 HG LEU A 118 6.320 10.480 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 118 8.532 10.175 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.375 10.948 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.624 11.926 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.368 10.539 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.450 12.305 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.089 11.576 4.581 1.00 0.00 H new ATOM 652 N TRP A 119 4.390 10.392 0.575 1.00 0.00 N ATOM 653 CA TRP A 119 3.386 9.346 0.659 1.00 0.00 C ATOM 654 C TRP A 119 3.568 8.492 1.903 1.00 0.00 C ATOM 655 O TRP A 119 4.680 8.074 2.228 1.00 0.00 O ATOM 656 CB TRP A 119 3.461 8.429 -0.558 1.00 0.00 C ATOM 657 CG TRP A 119 2.940 9.013 -1.829 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.659 9.645 -2.801 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.584 8.990 -2.280 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.830 10.018 -3.828 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.551 9.628 -3.532 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.395 8.491 -1.745 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.376 9.778 -4.257 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.770 8.644 -2.466 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.771 9.281 -3.711 1.00 0.00 C ATOM 0 H TRP A 119 5.252 10.113 0.106 1.00 0.00 H new ATOM 0 HA TRP A 119 2.418 9.844 0.701 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.501 8.138 -0.710 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.904 7.518 -0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.723 9.825 -2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.119 10.507 -4.675 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.388 7.995 -0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.371 10.270 -5.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.698 8.266 -2.063 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.700 9.382 -4.252 1.00 0.00 H new ATOM 676 N TYR A 120 2.477 8.254 2.594 1.00 0.00 N ATOM 677 CA TYR A 120 2.452 7.330 3.705 1.00 0.00 C ATOM 678 C TYR A 120 1.393 6.291 3.458 1.00 0.00 C ATOM 679 O TYR A 120 0.223 6.617 3.252 1.00 0.00 O ATOM 680 CB TYR A 120 2.195 8.034 5.025 1.00 0.00 C ATOM 681 CG TYR A 120 3.408 8.730 5.583 1.00 0.00 C ATOM 682 CD1 TYR A 120 3.770 9.987 5.141 1.00 0.00 C ATOM 683 CD2 TYR A 120 4.189 8.123 6.555 1.00 0.00 C ATOM 684 CE1 TYR A 120 4.876 10.628 5.647 1.00 0.00 C ATOM 685 CE2 TYR A 120 5.300 8.758 7.070 1.00 0.00 C ATOM 686 CZ TYR A 120 5.639 10.010 6.612 1.00 0.00 C ATOM 687 OH TYR A 120 6.744 10.650 7.124 1.00 0.00 O ATOM 0 H TYR A 120 1.579 8.697 2.401 1.00 0.00 H new ATOM 0 HA TYR A 120 3.432 6.858 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.398 8.765 4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 120 1.838 7.305 5.752 1.00 0.00 H new ATOM 0 HD1 TYR A 120 3.174 10.475 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 120 3.924 7.139 6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 120 5.145 11.611 5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 120 5.900 8.275 7.828 1.00 0.00 H new ATOM 0 HH TYR A 120 7.171 10.078 7.796 1.00 0.00 H new ATOM 697 N ILE A 121 1.796 5.052 3.460 1.00 0.00 N ATOM 698 CA ILE A 121 0.884 3.973 3.170 1.00 0.00 C ATOM 699 C ILE A 121 0.778 3.006 4.338 1.00 0.00 C ATOM 700 O ILE A 121 1.674 2.926 5.181 1.00 0.00 O ATOM 701 CB ILE A 121 1.290 3.221 1.862 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.657 2.522 1.999 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.317 4.182 0.685 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.576 1.105 2.535 1.00 0.00 C ATOM 0 H ILE A 121 2.753 4.760 3.659 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.100 4.415 3.012 1.00 0.00 H new ATOM 0 HB ILE A 121 0.538 2.452 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.143 2.503 1.023 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.291 3.113 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.602 3.643 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.328 4.620 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.041 4.974 0.878 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.579 0.683 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.121 1.116 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.970 0.496 1.864 1.00 0.00 H new ATOM 716 N THR A 122 -0.329 2.303 4.400 1.00 0.00 N ATOM 717 CA THR A 122 -0.556 1.319 5.434 1.00 0.00 C ATOM 718 C THR A 122 -1.264 0.106 4.841 1.00 0.00 C ATOM 719 O THR A 122 -2.360 0.233 4.303 1.00 0.00 O ATOM 720 CB THR A 122 -1.422 1.908 6.569 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.855 3.150 7.011 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.505 0.944 7.744 1.00 0.00 C ATOM 0 H THR A 122 -1.097 2.397 3.736 1.00 0.00 H new ATOM 0 HA THR A 122 0.409 1.023 5.845 1.00 0.00 H new ATOM 0 HB THR A 122 -2.428 2.075 6.184 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.406 3.524 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.120 1.381 8.531 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.951 0.006 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.504 0.754 8.130 1.00 0.00 H new ATOM 730 N VAL A 123 -0.642 -1.059 4.922 1.00 0.00 N ATOM 731 CA VAL A 123 -1.242 -2.255 4.365 1.00 0.00 C ATOM 732 C VAL A 123 -2.031 -3.017 5.423 1.00 0.00 C ATOM 733 O VAL A 123 -1.471 -3.600 6.353 1.00 0.00 O ATOM 734 CB VAL A 123 -0.202 -3.186 3.665 1.00 0.00 C ATOM 735 CG1 VAL A 123 0.964 -3.520 4.580 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.875 -4.460 3.165 1.00 0.00 C ATOM 0 H VAL A 123 0.267 -1.199 5.363 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.933 -1.922 3.591 1.00 0.00 H new ATOM 0 HB VAL A 123 0.200 -2.643 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.664 -4.169 4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.471 -2.601 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.594 -4.030 5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.135 -5.096 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.316 -4.993 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.656 -4.202 2.450 1.00 0.00 H new ATOM 746 N MET A 124 -3.332 -2.981 5.285 1.00 0.00 N ATOM 747 CA MET A 124 -4.222 -3.648 6.202 1.00 0.00 C ATOM 748 C MET A 124 -4.839 -4.868 5.543 1.00 0.00 C ATOM 749 O MET A 124 -5.374 -4.780 4.439 1.00 0.00 O ATOM 750 CB MET A 124 -5.337 -2.697 6.658 1.00 0.00 C ATOM 751 CG MET A 124 -4.857 -1.406 7.315 1.00 0.00 C ATOM 752 SD MET A 124 -4.494 -1.567 9.087 1.00 0.00 S ATOM 753 CE MET A 124 -2.948 -2.471 9.074 1.00 0.00 C ATOM 0 H MET A 124 -3.806 -2.486 4.530 1.00 0.00 H new ATOM 0 HA MET A 124 -3.643 -3.961 7.071 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.951 -2.441 5.794 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.981 -3.227 7.360 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.960 -1.061 6.801 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.618 -0.637 7.179 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.366 -2.209 9.957 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.153 -3.542 9.079 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.384 -2.214 8.178 1.00 0.00 H new ATOM 763 N PRO A 125 -4.741 -6.026 6.184 1.00 0.00 N ATOM 764 CA PRO A 125 -5.363 -7.244 5.689 1.00 0.00 C ATOM 765 C PRO A 125 -6.853 -7.258 6.005 1.00 0.00 C ATOM 766 O PRO A 125 -7.271 -6.787 7.065 1.00 0.00 O ATOM 767 CB PRO A 125 -4.641 -8.343 6.465 1.00 0.00 C ATOM 768 CG PRO A 125 -4.243 -7.702 7.749 1.00 0.00 C ATOM 769 CD PRO A 125 -3.998 -6.249 7.439 1.00 0.00 C ATOM 0 HA PRO A 125 -5.283 -7.355 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.292 -9.200 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.771 -8.707 5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.027 -7.813 8.498 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.346 -8.169 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.360 -5.603 8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.935 -6.040 7.317 1.00 0.00 H new ATOM 777 N CYS A 126 -7.655 -7.764 5.091 1.00 0.00 N ATOM 778 CA CYS A 126 -9.084 -7.819 5.317 1.00 0.00 C ATOM 779 C CYS A 126 -9.477 -9.170 5.909 1.00 0.00 C ATOM 780 O CYS A 126 -8.620 -10.038 6.129 1.00 0.00 O ATOM 781 CB CYS A 126 -9.859 -7.580 4.026 1.00 0.00 C ATOM 782 SG CYS A 126 -11.617 -7.184 4.307 1.00 0.00 S ATOM 0 H CYS A 126 -7.346 -8.139 4.194 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.338 -7.028 6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.393 -6.763 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.789 -8.468 3.398 1.00 0.00 H new ATOM 787 N SER A 127 -10.766 -9.348 6.143 1.00 0.00 N ATOM 788 CA SER A 127 -11.283 -10.565 6.709 1.00 0.00 C ATOM 789 C SER A 127 -11.021 -11.746 5.779 1.00 0.00 C ATOM 790 O SER A 127 -11.001 -11.597 4.551 1.00 0.00 O ATOM 791 CB SER A 127 -12.786 -10.414 6.983 1.00 0.00 C ATOM 792 OG SER A 127 -13.321 -11.568 7.612 1.00 0.00 O ATOM 0 H SER A 127 -11.479 -8.646 5.943 1.00 0.00 H new ATOM 0 HA SER A 127 -10.771 -10.760 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.955 -9.543 7.616 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.311 -10.234 6.045 1.00 0.00 H new ATOM 0 HG SER A 127 -14.279 -11.438 7.774 1.00 0.00 H new ATOM 798 N ILE A 128 -10.792 -12.905 6.363 1.00 0.00 N ATOM 799 CA ILE A 128 -10.541 -14.112 5.602 1.00 0.00 C ATOM 800 C ILE A 128 -11.763 -14.458 4.765 1.00 0.00 C ATOM 801 O ILE A 128 -12.884 -14.491 5.273 1.00 0.00 O ATOM 802 CB ILE A 128 -10.158 -15.317 6.525 1.00 0.00 C ATOM 803 CG1 ILE A 128 -8.745 -15.134 7.121 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.239 -16.639 5.767 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.614 -13.985 8.102 1.00 0.00 C ATOM 0 H ILE A 128 -10.775 -13.036 7.374 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.691 -13.921 4.947 1.00 0.00 H new ATOM 0 HB ILE A 128 -10.878 -15.343 7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.455 -16.057 7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.039 -14.979 6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -9.968 -17.458 6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.256 -16.788 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.551 -16.616 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.588 -13.934 8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -8.868 -13.050 7.603 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.291 -14.144 8.941 1.00 0.00 H new ATOM 817 N GLY A 129 -11.543 -14.699 3.489 1.00 0.00 N ATOM 818 CA GLY A 129 -12.635 -15.001 2.601 1.00 0.00 C ATOM 819 C GLY A 129 -13.153 -13.782 1.866 1.00 0.00 C ATOM 820 O GLY A 129 -14.042 -13.896 1.027 1.00 0.00 O ATOM 0 H GLY A 129 -10.622 -14.691 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.310 -15.746 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.449 -15.447 3.173 1.00 0.00 H new ATOM 824 N THR A 130 -12.616 -12.609 2.179 1.00 0.00 N ATOM 825 CA THR A 130 -13.034 -11.392 1.509 1.00 0.00 C ATOM 826 C THR A 130 -11.828 -10.627 0.967 1.00 0.00 C ATOM 827 O THR A 130 -10.729 -10.701 1.531 1.00 0.00 O ATOM 828 CB THR A 130 -13.853 -10.471 2.447 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.139 -10.242 3.668 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.208 -11.080 2.765 1.00 0.00 C ATOM 0 H THR A 130 -11.895 -12.479 2.889 1.00 0.00 H new ATOM 0 HA THR A 130 -13.674 -11.691 0.679 1.00 0.00 H new ATOM 0 HB THR A 130 -14.006 -9.524 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.283 -10.719 3.641 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.761 -10.412 3.425 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.768 -11.223 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.068 -12.042 3.257 1.00 0.00 H new ATOM 838 N LYS A 131 -12.037 -9.900 -0.114 1.00 0.00 N ATOM 839 CA LYS A 131 -10.987 -9.128 -0.745 1.00 0.00 C ATOM 840 C LYS A 131 -11.433 -7.688 -0.914 1.00 0.00 C ATOM 841 O LYS A 131 -12.631 -7.407 -0.975 1.00 0.00 O ATOM 842 CB LYS A 131 -10.622 -9.724 -2.104 1.00 0.00 C ATOM 843 CG LYS A 131 -11.773 -9.755 -3.098 1.00 0.00 C ATOM 844 CD LYS A 131 -11.336 -10.345 -4.422 1.00 0.00 C ATOM 845 CE LYS A 131 -12.469 -10.366 -5.426 1.00 0.00 C ATOM 846 NZ LYS A 131 -12.028 -10.883 -6.745 1.00 0.00 N ATOM 0 H LYS A 131 -12.942 -9.829 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.104 -9.158 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -9.801 -9.149 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.256 -10.740 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -12.595 -10.342 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.150 -8.744 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.505 -9.764 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -10.970 -11.360 -4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -13.280 -10.987 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -12.867 -9.358 -5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -12.832 -10.882 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -11.271 -10.276 -7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.671 -11.854 -6.636 1.00 0.00 H new ATOM 860 N PHE A 132 -10.480 -6.790 -0.982 1.00 0.00 N ATOM 861 CA PHE A 132 -10.774 -5.376 -1.115 1.00 0.00 C ATOM 862 C PHE A 132 -10.934 -4.982 -2.586 1.00 0.00 C ATOM 863 O PHE A 132 -10.161 -5.412 -3.444 1.00 0.00 O ATOM 864 CB PHE A 132 -9.654 -4.566 -0.465 1.00 0.00 C ATOM 865 CG PHE A 132 -9.980 -3.117 -0.242 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.689 -2.721 0.880 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.559 -2.149 -1.138 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.972 -1.391 1.103 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.841 -0.817 -0.922 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.548 -0.437 0.201 1.00 0.00 C ATOM 0 H PHE A 132 -9.485 -7.012 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.717 -5.163 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.404 -5.020 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.764 -4.633 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.024 -3.464 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.003 -2.441 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.525 -1.096 1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.509 -0.072 -1.630 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.769 0.606 0.373 1.00 0.00 H new ATOM 880 N ASP A 133 -11.944 -4.173 -2.864 1.00 0.00 N ATOM 881 CA ASP A 133 -12.206 -3.690 -4.219 1.00 0.00 C ATOM 882 C ASP A 133 -11.643 -2.282 -4.383 1.00 0.00 C ATOM 883 O ASP A 133 -11.837 -1.432 -3.516 1.00 0.00 O ATOM 884 CB ASP A 133 -13.714 -3.692 -4.514 1.00 0.00 C ATOM 885 CG ASP A 133 -14.030 -3.291 -5.945 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.032 -4.174 -6.825 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.284 -2.087 -6.201 1.00 0.00 O ATOM 0 H ASP A 133 -12.604 -3.832 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.717 -4.358 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.117 -4.687 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.215 -3.008 -3.830 1.00 0.00 H new ATOM 892 N PRO A 134 -10.941 -2.020 -5.500 1.00 0.00 N ATOM 893 CA PRO A 134 -10.284 -0.728 -5.749 1.00 0.00 C ATOM 894 C PRO A 134 -11.248 0.460 -5.825 1.00 0.00 C ATOM 895 O PRO A 134 -11.048 1.467 -5.154 1.00 0.00 O ATOM 896 CB PRO A 134 -9.581 -0.930 -7.102 1.00 0.00 C ATOM 897 CG PRO A 134 -10.283 -2.082 -7.736 1.00 0.00 C ATOM 898 CD PRO A 134 -10.727 -2.967 -6.611 1.00 0.00 C ATOM 0 HA PRO A 134 -9.615 -0.475 -4.927 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.653 -0.036 -7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.520 -1.140 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -11.135 -1.743 -8.325 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.619 -2.618 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.640 -3.508 -6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -9.972 -3.713 -6.364 1.00 0.00 H new ATOM 906 N ILE A 135 -12.282 0.343 -6.640 1.00 0.00 N ATOM 907 CA ILE A 135 -13.202 1.453 -6.848 1.00 0.00 C ATOM 908 C ILE A 135 -14.236 1.559 -5.731 1.00 0.00 C ATOM 909 O ILE A 135 -14.471 2.645 -5.200 1.00 0.00 O ATOM 910 CB ILE A 135 -13.915 1.352 -8.217 1.00 0.00 C ATOM 911 CG1 ILE A 135 -12.883 1.248 -9.351 1.00 0.00 C ATOM 912 CG2 ILE A 135 -14.833 2.552 -8.439 1.00 0.00 C ATOM 913 CD1 ILE A 135 -11.892 2.400 -9.400 1.00 0.00 C ATOM 0 H ILE A 135 -12.507 -0.502 -7.166 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.596 2.359 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.527 0.450 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -12.332 0.314 -9.241 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.410 1.197 -10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -15.324 2.460 -9.408 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -15.586 2.584 -7.652 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -14.245 3.469 -8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.200 2.249 -10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -12.430 3.337 -9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -11.335 2.441 -8.464 1.00 0.00 H new ATOM 925 N SER A 136 -14.846 0.442 -5.374 1.00 0.00 N ATOM 926 CA SER A 136 -15.859 0.438 -4.332 1.00 0.00 C ATOM 927 C SER A 136 -15.238 0.793 -2.983 1.00 0.00 C ATOM 928 O SER A 136 -15.882 1.428 -2.134 1.00 0.00 O ATOM 929 CB SER A 136 -16.527 -0.929 -4.262 1.00 0.00 C ATOM 930 OG SER A 136 -16.882 -1.387 -5.559 1.00 0.00 O ATOM 0 H SER A 136 -14.659 -0.471 -5.788 1.00 0.00 H new ATOM 0 HA SER A 136 -16.612 1.188 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 136 -15.852 -1.644 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.417 -0.871 -3.636 1.00 0.00 H new ATOM 0 HG SER A 136 -16.089 -1.752 -6.005 1.00 0.00 H new ATOM 936 N ARG A 137 -13.990 0.354 -2.793 1.00 0.00 N ATOM 937 CA ARG A 137 -13.222 0.639 -1.585 1.00 0.00 C ATOM 938 C ARG A 137 -13.849 -0.040 -0.383 1.00 0.00 C ATOM 939 O ARG A 137 -14.134 0.594 0.637 1.00 0.00 O ATOM 940 CB ARG A 137 -13.075 2.150 -1.353 1.00 0.00 C ATOM 941 CG ARG A 137 -12.279 2.861 -2.436 1.00 0.00 C ATOM 942 CD ARG A 137 -12.175 4.350 -2.164 1.00 0.00 C ATOM 943 NE ARG A 137 -13.484 5.002 -2.160 1.00 0.00 N ATOM 944 CZ ARG A 137 -13.708 6.242 -1.722 1.00 0.00 C ATOM 945 NH1 ARG A 137 -12.711 6.970 -1.222 1.00 0.00 N ATOM 946 NH2 ARG A 137 -14.929 6.747 -1.776 1.00 0.00 N ATOM 0 H ARG A 137 -13.486 -0.210 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.219 0.234 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.067 2.597 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.590 2.315 -0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.279 2.431 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.754 2.699 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -11.689 4.509 -1.202 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.542 4.813 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.280 4.473 -2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.770 6.580 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.889 7.918 -0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -15.696 6.189 -2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.104 7.695 -1.442 1.00 0.00 H new ATOM 960 N ASN A 138 -14.059 -1.335 -0.520 1.00 0.00 N ATOM 961 CA ASN A 138 -14.639 -2.151 0.529 1.00 0.00 C ATOM 962 C ASN A 138 -14.246 -3.602 0.308 1.00 0.00 C ATOM 963 O ASN A 138 -13.587 -3.920 -0.682 1.00 0.00 O ATOM 964 CB ASN A 138 -16.170 -2.032 0.532 1.00 0.00 C ATOM 965 CG ASN A 138 -16.820 -2.668 -0.689 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.261 -2.674 -1.783 1.00 0.00 O ATOM 967 ND2 ASN A 138 -18.002 -3.212 -0.504 1.00 0.00 N ATOM 0 H ASN A 138 -13.830 -1.854 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.264 -1.802 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -16.563 -2.503 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -16.447 -0.979 0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.486 -3.658 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -18.436 -3.188 0.419 1.00 0.00 H new ATOM 974 N CYS A 139 -14.634 -4.467 1.215 1.00 0.00 N ATOM 975 CA CYS A 139 -14.335 -5.880 1.081 1.00 0.00 C ATOM 976 C CYS A 139 -15.549 -6.677 0.611 1.00 0.00 C ATOM 977 O CYS A 139 -16.651 -6.531 1.146 1.00 0.00 O ATOM 978 CB CYS A 139 -13.802 -6.450 2.389 1.00 0.00 C ATOM 979 SG CYS A 139 -12.113 -5.921 2.809 1.00 0.00 S ATOM 0 H CYS A 139 -15.158 -4.221 2.055 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.562 -5.972 0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -14.472 -6.158 3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -13.825 -7.538 2.333 1.00 0.00 H new ATOM 984 N VAL A 140 -15.333 -7.502 -0.403 1.00 0.00 N ATOM 985 CA VAL A 140 -16.363 -8.381 -0.942 1.00 0.00 C ATOM 986 C VAL A 140 -15.849 -9.818 -0.939 1.00 0.00 C ATOM 987 O VAL A 140 -14.658 -10.038 -0.747 1.00 0.00 O ATOM 988 CB VAL A 140 -16.762 -7.980 -2.390 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.366 -6.584 -2.416 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.560 -8.061 -3.326 1.00 0.00 C ATOM 0 H VAL A 140 -14.434 -7.582 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.248 -8.290 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.515 -8.686 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.638 -6.324 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.256 -6.561 -1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.638 -5.865 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -15.863 -7.776 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.781 -7.384 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.176 -9.081 -3.338 1.00 0.00 H new ATOM 1000 N LEU A 141 -16.745 -10.787 -1.122 1.00 0.00 N ATOM 1001 CA LEU A 141 -16.362 -12.210 -1.142 1.00 0.00 C ATOM 1002 C LEU A 141 -15.191 -12.465 -2.089 1.00 0.00 C ATOM 1003 O LEU A 141 -15.284 -12.227 -3.297 1.00 0.00 O ATOM 1004 CB LEU A 141 -17.551 -13.091 -1.556 1.00 0.00 C ATOM 1005 CG LEU A 141 -17.838 -14.308 -0.658 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -16.670 -15.284 -0.668 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.157 -13.865 0.764 1.00 0.00 C ATOM 0 H LEU A 141 -17.742 -10.619 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.053 -12.470 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -18.445 -12.468 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -17.377 -13.447 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 141 -18.710 -14.824 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -16.900 -16.134 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -16.498 -15.635 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -15.774 -14.783 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.357 -14.741 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -17.308 -13.318 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -19.035 -13.219 0.756 1.00 0.00 H new ATOM 1019 N ASP A 142 -14.091 -12.937 -1.532 1.00 0.00 N ATOM 1020 CA ASP A 142 -12.924 -13.278 -2.313 1.00 0.00 C ATOM 1021 C ASP A 142 -13.082 -14.686 -2.835 1.00 0.00 C ATOM 1022 O ASP A 142 -12.725 -15.662 -2.168 1.00 0.00 O ATOM 1023 CB ASP A 142 -11.654 -13.155 -1.462 1.00 0.00 C ATOM 1024 CG ASP A 142 -10.398 -13.597 -2.189 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -10.255 -13.289 -3.390 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -9.540 -14.251 -1.549 1.00 0.00 O ATOM 0 H ASP A 142 -13.985 -13.093 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 142 -12.830 -12.588 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -11.536 -12.119 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -11.772 -13.753 -0.558 1.00 0.00 H new