USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=17 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 102 HIS : no HE2:sc= -2.84! C(o=0.031!,f=-9.8!) USER MOD Set 1.2: A 105 ASN : amide:sc= 1.92 K(o=0.031,f=-9.7!) USER MOD Set 1.3: A 108 LYS NZ :NH3+ -146:sc= 0.95 (180deg=0.906) USER MOD Single : A 84 HIS : no HD1:sc= -0.187 K(o=-0.19,f=-0.78) USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -0.0532 (180deg=-0.384) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.3!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HE2:sc= 1.26 K(o=1.3,f=-4.9!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc=-0.00516 USER MOD Single : A 124 MET CE :methyl 151:sc= -1.82 (180deg=-3.66!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -3:sc= 0.872 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 82:sc= 1.19 USER MOD Single : A 138 ASN : amide:sc= -0.412 K(o=-0.41,f=-3.3) USER MOD ----------------------------------------------------------------- ATOM 61 N ASP A 80 6.942 3.867 -3.566 1.00 0.00 N ATOM 62 CA ASP A 80 6.849 2.425 -3.712 1.00 0.00 C ATOM 63 C ASP A 80 7.378 1.745 -2.449 1.00 0.00 C ATOM 64 O ASP A 80 8.554 1.855 -2.103 1.00 0.00 O ATOM 65 CB ASP A 80 7.569 1.906 -4.985 1.00 0.00 C ATOM 66 CG ASP A 80 9.077 1.849 -4.877 1.00 0.00 C ATOM 67 OD1 ASP A 80 9.713 2.906 -4.698 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.638 0.733 -4.993 1.00 0.00 O ATOM 0 HA ASP A 80 5.797 2.168 -3.840 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.196 0.908 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.302 2.548 -5.825 1.00 0.00 H new ATOM 73 N LEU A 81 6.490 1.098 -1.740 1.00 0.00 N ATOM 74 CA LEU A 81 6.834 0.406 -0.508 1.00 0.00 C ATOM 75 C LEU A 81 6.898 -1.088 -0.787 1.00 0.00 C ATOM 76 O LEU A 81 6.021 -1.628 -1.448 1.00 0.00 O ATOM 77 CB LEU A 81 5.775 0.743 0.573 1.00 0.00 C ATOM 78 CG LEU A 81 6.087 0.349 2.033 1.00 0.00 C ATOM 79 CD1 LEU A 81 5.833 -1.127 2.279 1.00 0.00 C ATOM 80 CD2 LEU A 81 7.516 0.716 2.397 1.00 0.00 C ATOM 0 H LEU A 81 5.504 1.031 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 81 7.808 0.727 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.600 1.818 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.840 0.260 0.288 1.00 0.00 H new ATOM 0 HG LEU A 81 5.411 0.912 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.063 -1.368 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.786 -1.355 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.467 -1.720 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.713 0.429 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.206 0.191 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.655 1.791 2.286 1.00 0.00 H new ATOM 92 N ILE A 82 7.933 -1.754 -0.310 1.00 0.00 N ATOM 93 CA ILE A 82 8.093 -3.170 -0.576 1.00 0.00 C ATOM 94 C ILE A 82 7.517 -4.012 0.555 1.00 0.00 C ATOM 95 O ILE A 82 7.671 -3.684 1.737 1.00 0.00 O ATOM 96 CB ILE A 82 9.573 -3.544 -0.780 1.00 0.00 C ATOM 97 CG1 ILE A 82 10.213 -2.638 -1.827 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.696 -4.991 -1.191 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.632 -3.022 -2.186 1.00 0.00 C ATOM 0 H ILE A 82 8.671 -1.340 0.260 1.00 0.00 H new ATOM 0 HA ILE A 82 7.546 -3.380 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 82 10.099 -3.405 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.603 -2.656 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.207 -1.612 -1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.748 -5.241 -1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.272 -5.627 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.157 -5.151 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.017 -2.331 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 82 12.258 -2.976 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.644 -4.036 -2.586 1.00 0.00 H new ATOM 111 N VAL A 83 6.878 -5.101 0.187 1.00 0.00 N ATOM 112 CA VAL A 83 6.258 -5.999 1.139 1.00 0.00 C ATOM 113 C VAL A 83 6.694 -7.434 0.867 1.00 0.00 C ATOM 114 O VAL A 83 7.173 -7.747 -0.225 1.00 0.00 O ATOM 115 CB VAL A 83 4.714 -5.916 1.086 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.229 -4.538 1.515 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.209 -6.249 -0.307 1.00 0.00 C ATOM 0 H VAL A 83 6.773 -5.391 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 83 6.582 -5.693 2.134 1.00 0.00 H new ATOM 0 HB VAL A 83 4.311 -6.650 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.140 -4.505 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.556 -4.339 2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.643 -3.782 0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.121 -6.185 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.625 -5.541 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.518 -7.260 -0.574 1.00 0.00 H new ATOM 127 N HIS A 84 6.538 -8.293 1.855 1.00 0.00 N ATOM 128 CA HIS A 84 6.928 -9.688 1.720 1.00 0.00 C ATOM 129 C HIS A 84 5.707 -10.593 1.841 1.00 0.00 C ATOM 130 O HIS A 84 5.206 -10.829 2.941 1.00 0.00 O ATOM 131 CB HIS A 84 7.975 -10.071 2.784 1.00 0.00 C ATOM 132 CG HIS A 84 9.205 -9.207 2.782 1.00 0.00 C ATOM 133 ND1 HIS A 84 10.291 -9.438 1.969 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.511 -8.099 3.499 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.207 -8.513 2.184 1.00 0.00 C ATOM 136 NE2 HIS A 84 10.759 -7.689 3.107 1.00 0.00 N ATOM 0 H HIS A 84 6.143 -8.051 2.764 1.00 0.00 H new ATOM 0 HA HIS A 84 7.373 -9.822 0.734 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.511 -10.019 3.769 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.273 -11.107 2.627 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.887 -7.626 4.242 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.163 -8.444 1.686 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.259 -6.878 3.471 1.00 0.00 H new ATOM 145 N GLU A 85 5.225 -11.084 0.710 1.00 0.00 N ATOM 146 CA GLU A 85 4.060 -11.959 0.687 1.00 0.00 C ATOM 147 C GLU A 85 4.472 -13.373 0.321 1.00 0.00 C ATOM 148 O GLU A 85 4.776 -13.655 -0.839 1.00 0.00 O ATOM 149 CB GLU A 85 3.022 -11.457 -0.320 1.00 0.00 C ATOM 150 CG GLU A 85 2.486 -10.071 -0.023 1.00 0.00 C ATOM 151 CD GLU A 85 1.871 -9.974 1.350 1.00 0.00 C ATOM 152 OE1 GLU A 85 0.824 -10.612 1.581 1.00 0.00 O ATOM 153 OE2 GLU A 85 2.425 -9.256 2.203 1.00 0.00 O ATOM 0 H GLU A 85 5.624 -10.891 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 85 3.617 -11.955 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.468 -11.456 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.188 -12.159 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.295 -9.346 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.740 -9.805 -0.772 1.00 0.00 H new ATOM 160 N GLY A 86 4.503 -14.251 1.310 1.00 0.00 N ATOM 161 CA GLY A 86 4.888 -15.626 1.065 1.00 0.00 C ATOM 162 C GLY A 86 6.292 -15.726 0.512 1.00 0.00 C ATOM 163 O GLY A 86 6.563 -16.520 -0.393 1.00 0.00 O ATOM 0 H GLY A 86 4.268 -14.037 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.822 -16.193 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.188 -16.080 0.364 1.00 0.00 H new ATOM 167 N GLY A 87 7.179 -14.916 1.055 1.00 0.00 N ATOM 168 CA GLY A 87 8.551 -14.893 0.598 1.00 0.00 C ATOM 169 C GLY A 87 8.749 -14.049 -0.652 1.00 0.00 C ATOM 170 O GLY A 87 9.876 -13.714 -0.999 1.00 0.00 O ATOM 0 H GLY A 87 6.973 -14.266 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.187 -14.507 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.878 -15.913 0.396 1.00 0.00 H new ATOM 174 N LYS A 88 7.662 -13.697 -1.319 1.00 0.00 N ATOM 175 CA LYS A 88 7.742 -12.910 -2.538 1.00 0.00 C ATOM 176 C LYS A 88 7.684 -11.430 -2.228 1.00 0.00 C ATOM 177 O LYS A 88 6.779 -10.962 -1.536 1.00 0.00 O ATOM 178 CB LYS A 88 6.611 -13.274 -3.495 1.00 0.00 C ATOM 179 CG LYS A 88 6.604 -14.724 -3.941 1.00 0.00 C ATOM 180 CD LYS A 88 7.809 -15.055 -4.808 1.00 0.00 C ATOM 181 CE LYS A 88 7.737 -16.483 -5.325 1.00 0.00 C ATOM 182 NZ LYS A 88 6.543 -16.705 -6.183 1.00 0.00 N ATOM 0 H LYS A 88 6.714 -13.944 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 88 8.696 -13.136 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.659 -13.051 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.679 -12.637 -4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.597 -15.373 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.689 -14.929 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.857 -14.363 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.724 -14.920 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.639 -16.709 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.711 -17.173 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.679 -17.565 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.701 -16.817 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.413 -15.889 -6.814 1.00 0.00 H new ATOM 196 N THR A 89 8.647 -10.705 -2.721 1.00 0.00 N ATOM 197 CA THR A 89 8.702 -9.280 -2.527 1.00 0.00 C ATOM 198 C THR A 89 7.836 -8.555 -3.553 1.00 0.00 C ATOM 199 O THR A 89 8.020 -8.716 -4.762 1.00 0.00 O ATOM 200 CB THR A 89 10.146 -8.779 -2.645 1.00 0.00 C ATOM 201 OG1 THR A 89 11.013 -9.880 -2.965 1.00 0.00 O ATOM 202 CG2 THR A 89 10.599 -8.143 -1.349 1.00 0.00 C ATOM 0 H THR A 89 9.419 -11.084 -3.270 1.00 0.00 H new ATOM 0 HA THR A 89 8.322 -9.067 -1.528 1.00 0.00 H new ATOM 0 HB THR A 89 10.190 -8.031 -3.436 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.935 -9.558 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.626 -7.794 -1.454 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.952 -7.299 -1.112 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.546 -8.877 -0.545 1.00 0.00 H new ATOM 210 N TYR A 90 6.885 -7.785 -3.071 1.00 0.00 N ATOM 211 CA TYR A 90 6.016 -7.003 -3.935 1.00 0.00 C ATOM 212 C TYR A 90 6.198 -5.526 -3.652 1.00 0.00 C ATOM 213 O TYR A 90 6.601 -5.144 -2.557 1.00 0.00 O ATOM 214 CB TYR A 90 4.544 -7.374 -3.722 1.00 0.00 C ATOM 215 CG TYR A 90 4.141 -8.723 -4.272 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.245 -9.870 -3.502 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.640 -8.840 -5.560 1.00 0.00 C ATOM 218 CE1 TYR A 90 3.862 -11.099 -4.000 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.256 -10.063 -6.067 1.00 0.00 C ATOM 220 CZ TYR A 90 3.367 -11.191 -5.284 1.00 0.00 C ATOM 221 OH TYR A 90 2.979 -12.414 -5.782 1.00 0.00 O ATOM 0 H TYR A 90 6.690 -7.681 -2.075 1.00 0.00 H new ATOM 0 HA TYR A 90 6.288 -7.222 -4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.331 -7.355 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.921 -6.609 -4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.632 -9.801 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.549 -7.958 -6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 90 3.949 -11.984 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.870 -10.136 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 90 2.653 -12.305 -6.700 1.00 0.00 H new ATOM 231 N HIS A 91 5.915 -4.705 -4.635 1.00 0.00 N ATOM 232 CA HIS A 91 5.984 -3.266 -4.471 1.00 0.00 C ATOM 233 C HIS A 91 4.582 -2.694 -4.399 1.00 0.00 C ATOM 234 O HIS A 91 3.681 -3.151 -5.102 1.00 0.00 O ATOM 235 CB HIS A 91 6.754 -2.604 -5.627 1.00 0.00 C ATOM 236 CG HIS A 91 8.224 -2.902 -5.646 1.00 0.00 C ATOM 237 ND1 HIS A 91 9.198 -1.937 -5.469 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.889 -4.064 -5.842 1.00 0.00 C ATOM 239 CE1 HIS A 91 10.387 -2.495 -5.558 1.00 0.00 C ATOM 240 NE2 HIS A 91 10.229 -3.783 -5.781 1.00 0.00 N ATOM 0 H HIS A 91 5.632 -5.009 -5.567 1.00 0.00 H new ATOM 0 HA HIS A 91 6.519 -3.056 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 91 6.318 -2.930 -6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.616 -1.524 -5.568 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.023 -0.947 -5.296 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.446 -5.034 -6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.333 -1.982 -5.464 1.00 0.00 H new ATOM 249 N VAL A 92 4.398 -1.721 -3.546 1.00 0.00 N ATOM 250 CA VAL A 92 3.124 -1.063 -3.396 1.00 0.00 C ATOM 251 C VAL A 92 3.267 0.381 -3.806 1.00 0.00 C ATOM 252 O VAL A 92 4.075 1.119 -3.239 1.00 0.00 O ATOM 253 CB VAL A 92 2.613 -1.119 -1.941 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.246 -0.462 -1.823 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.570 -2.554 -1.435 1.00 0.00 C ATOM 0 H VAL A 92 5.129 -1.360 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 92 2.403 -1.581 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 92 3.312 -0.563 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.906 -0.513 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.316 0.581 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.535 -0.983 -2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.207 -2.567 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.901 -3.142 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.572 -2.983 -1.471 1.00 0.00 H new ATOM 265 N VAL A 93 2.505 0.775 -4.788 1.00 0.00 N ATOM 266 CA VAL A 93 2.558 2.124 -5.300 1.00 0.00 C ATOM 267 C VAL A 93 1.178 2.739 -5.245 1.00 0.00 C ATOM 268 O VAL A 93 0.205 2.132 -5.691 1.00 0.00 O ATOM 269 CB VAL A 93 3.059 2.151 -6.767 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.156 3.578 -7.284 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.398 1.440 -6.894 1.00 0.00 C ATOM 0 H VAL A 93 1.829 0.174 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 93 3.255 2.691 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 93 2.331 1.619 -7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.510 3.568 -8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.173 4.048 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.855 4.142 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.730 1.472 -7.932 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.135 1.936 -6.262 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.290 0.402 -6.579 1.00 0.00 H new ATOM 281 N CYS A 94 1.081 3.935 -4.713 1.00 0.00 N ATOM 282 CA CYS A 94 -0.190 4.607 -4.629 1.00 0.00 C ATOM 283 C CYS A 94 -0.171 5.826 -5.521 1.00 0.00 C ATOM 284 O CYS A 94 0.566 6.781 -5.272 1.00 0.00 O ATOM 285 CB CYS A 94 -0.496 5.004 -3.190 1.00 0.00 C ATOM 286 SG CYS A 94 -0.584 3.597 -2.040 1.00 0.00 S ATOM 0 H CYS A 94 1.868 4.461 -4.333 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.975 3.928 -4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.271 5.696 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.444 5.541 -3.165 1.00 0.00 H new ATOM 291 N HIS A 95 -0.962 5.787 -6.570 1.00 0.00 N ATOM 292 CA HIS A 95 -1.017 6.884 -7.514 1.00 0.00 C ATOM 293 C HIS A 95 -2.110 7.863 -7.114 1.00 0.00 C ATOM 294 O HIS A 95 -2.118 9.010 -7.548 1.00 0.00 O ATOM 295 CB HIS A 95 -1.261 6.344 -8.932 1.00 0.00 C ATOM 296 CG HIS A 95 -1.058 7.355 -10.026 1.00 0.00 C ATOM 297 ND1 HIS A 95 0.147 7.535 -10.669 1.00 0.00 N ATOM 298 CD2 HIS A 95 -1.916 8.232 -10.595 1.00 0.00 C ATOM 299 CE1 HIS A 95 0.020 8.478 -11.583 1.00 0.00 C ATOM 300 NE2 HIS A 95 -1.221 8.916 -11.560 1.00 0.00 N ATOM 0 H HIS A 95 -1.578 5.005 -6.792 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.064 7.412 -7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.594 5.500 -9.106 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.280 5.962 -8.992 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.956 8.369 -10.337 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.802 8.831 -12.239 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.604 9.645 -12.162 1.00 0.00 H new ATOM 309 N GLU A 96 -3.006 7.405 -6.257 1.00 0.00 N ATOM 310 CA GLU A 96 -4.127 8.206 -5.800 1.00 0.00 C ATOM 311 C GLU A 96 -4.313 8.023 -4.303 1.00 0.00 C ATOM 312 O GLU A 96 -3.964 6.975 -3.755 1.00 0.00 O ATOM 313 CB GLU A 96 -5.410 7.802 -6.538 1.00 0.00 C ATOM 314 CG GLU A 96 -5.347 8.006 -8.044 1.00 0.00 C ATOM 315 CD GLU A 96 -6.594 7.526 -8.748 1.00 0.00 C ATOM 316 OE1 GLU A 96 -7.599 8.268 -8.762 1.00 0.00 O ATOM 317 OE2 GLU A 96 -6.577 6.403 -9.295 1.00 0.00 O ATOM 0 H GLU A 96 -2.976 6.467 -5.858 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.918 9.255 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.620 6.752 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.244 8.379 -6.138 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.198 9.064 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.482 7.476 -8.443 1.00 0.00 H new ATOM 324 N GLU A 97 -4.832 9.047 -3.645 1.00 0.00 N ATOM 325 CA GLU A 97 -5.080 8.990 -2.212 1.00 0.00 C ATOM 326 C GLU A 97 -6.312 8.138 -1.919 1.00 0.00 C ATOM 327 O GLU A 97 -7.300 8.193 -2.652 1.00 0.00 O ATOM 328 CB GLU A 97 -5.269 10.403 -1.647 1.00 0.00 C ATOM 329 CG GLU A 97 -4.069 11.316 -1.858 1.00 0.00 C ATOM 330 CD GLU A 97 -4.283 12.706 -1.295 1.00 0.00 C ATOM 331 OE1 GLU A 97 -4.039 12.907 -0.086 1.00 0.00 O ATOM 332 OE2 GLU A 97 -4.698 13.607 -2.058 1.00 0.00 O ATOM 0 H GLU A 97 -5.091 9.932 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.216 8.533 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.144 10.856 -2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.476 10.332 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.192 10.870 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.857 11.390 -2.925 1.00 0.00 H new ATOM 339 N GLY A 98 -6.249 7.361 -0.855 1.00 0.00 N ATOM 340 CA GLY A 98 -7.365 6.509 -0.499 1.00 0.00 C ATOM 341 C GLY A 98 -6.963 5.058 -0.354 1.00 0.00 C ATOM 342 O GLY A 98 -5.824 4.698 -0.644 1.00 0.00 O ATOM 0 H GLY A 98 -5.446 7.302 -0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.800 6.858 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.140 6.594 -1.261 1.00 0.00 H new ATOM 346 N PRO A 99 -7.872 4.208 0.128 1.00 0.00 N ATOM 347 CA PRO A 99 -7.616 2.783 0.290 1.00 0.00 C ATOM 348 C PRO A 99 -7.854 1.983 -1.001 1.00 0.00 C ATOM 349 O PRO A 99 -8.892 2.122 -1.654 1.00 0.00 O ATOM 350 CB PRO A 99 -8.625 2.375 1.355 1.00 0.00 C ATOM 351 CG PRO A 99 -9.780 3.305 1.165 1.00 0.00 C ATOM 352 CD PRO A 99 -9.224 4.582 0.584 1.00 0.00 C ATOM 0 HA PRO A 99 -6.577 2.584 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.930 1.336 1.233 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.203 2.468 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.522 2.868 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.280 3.498 2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.837 4.945 -0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.188 5.377 1.329 1.00 0.00 H new ATOM 360 N ILE A 100 -6.889 1.153 -1.352 1.00 0.00 N ATOM 361 CA ILE A 100 -6.983 0.297 -2.536 1.00 0.00 C ATOM 362 C ILE A 100 -6.459 -1.108 -2.222 1.00 0.00 C ATOM 363 O ILE A 100 -5.728 -1.285 -1.259 1.00 0.00 O ATOM 364 CB ILE A 100 -6.229 0.903 -3.768 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.917 1.602 -3.352 1.00 0.00 C ATOM 366 CG2 ILE A 100 -7.132 1.865 -4.535 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.802 0.657 -2.952 1.00 0.00 C ATOM 0 H ILE A 100 -6.018 1.048 -0.831 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.037 0.232 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.964 0.075 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.572 2.222 -4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.125 2.272 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.588 2.274 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.014 1.331 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.440 2.678 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.919 1.233 -2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.123 0.054 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.561 0.003 -3.790 1.00 0.00 H new ATOM 379 N PRO A 101 -6.847 -2.133 -3.012 1.00 0.00 N ATOM 380 CA PRO A 101 -6.411 -3.523 -2.784 1.00 0.00 C ATOM 381 C PRO A 101 -4.901 -3.709 -2.963 1.00 0.00 C ATOM 382 O PRO A 101 -4.207 -2.830 -3.478 1.00 0.00 O ATOM 383 CB PRO A 101 -7.170 -4.317 -3.851 1.00 0.00 C ATOM 384 CG PRO A 101 -7.478 -3.318 -4.905 1.00 0.00 C ATOM 385 CD PRO A 101 -7.737 -2.033 -4.177 1.00 0.00 C ATOM 0 HA PRO A 101 -6.616 -3.842 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.565 -5.135 -4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.080 -4.760 -3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.646 -3.213 -5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.347 -3.620 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.501 -1.165 -4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.782 -1.940 -3.881 1.00 0.00 H new ATOM 393 N HIS A 102 -4.411 -4.863 -2.558 1.00 0.00 N ATOM 394 CA HIS A 102 -2.996 -5.180 -2.635 1.00 0.00 C ATOM 395 C HIS A 102 -2.709 -5.889 -3.966 1.00 0.00 C ATOM 396 O HIS A 102 -3.395 -6.843 -4.314 1.00 0.00 O ATOM 397 CB HIS A 102 -2.622 -6.073 -1.437 1.00 0.00 C ATOM 398 CG HIS A 102 -1.163 -6.119 -1.090 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.424 -7.271 -1.130 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.321 -5.156 -0.645 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.804 -7.022 -0.734 1.00 0.00 C ATOM 402 NE2 HIS A 102 0.897 -5.746 -0.431 1.00 0.00 N ATOM 0 H HIS A 102 -4.983 -5.611 -2.165 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.395 -4.272 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.174 -5.727 -0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.959 -7.088 -1.645 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.773 -8.183 -1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.565 -4.116 -0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.604 -7.745 -0.668 1.00 0.00 H new ATOM 411 N PRO A 103 -1.686 -5.423 -4.725 1.00 0.00 N ATOM 412 CA PRO A 103 -1.362 -5.961 -6.068 1.00 0.00 C ATOM 413 C PRO A 103 -1.170 -7.479 -6.085 1.00 0.00 C ATOM 414 O PRO A 103 -1.662 -8.167 -6.982 1.00 0.00 O ATOM 415 CB PRO A 103 -0.046 -5.247 -6.438 1.00 0.00 C ATOM 416 CG PRO A 103 0.455 -4.660 -5.159 1.00 0.00 C ATOM 417 CD PRO A 103 -0.766 -4.345 -4.347 1.00 0.00 C ATOM 0 HA PRO A 103 -2.177 -5.783 -6.770 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.676 -5.946 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.215 -4.473 -7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 103 1.103 -5.362 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.043 -3.761 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.554 -4.349 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.171 -3.362 -4.588 1.00 0.00 H new ATOM 425 N GLY A 104 -0.448 -7.985 -5.099 1.00 0.00 N ATOM 426 CA GLY A 104 -0.206 -9.412 -5.014 1.00 0.00 C ATOM 427 C GLY A 104 -1.454 -10.184 -4.629 1.00 0.00 C ATOM 428 O GLY A 104 -1.941 -11.016 -5.390 1.00 0.00 O ATOM 0 H GLY A 104 -0.023 -7.433 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.161 -9.774 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.578 -9.603 -4.281 1.00 0.00 H new ATOM 432 N ASN A 105 -1.961 -9.904 -3.450 1.00 0.00 N ATOM 433 CA ASN A 105 -3.147 -10.566 -2.937 1.00 0.00 C ATOM 434 C ASN A 105 -4.240 -9.558 -2.587 1.00 0.00 C ATOM 435 O ASN A 105 -4.123 -8.814 -1.615 1.00 0.00 O ATOM 436 CB ASN A 105 -2.803 -11.435 -1.703 1.00 0.00 C ATOM 437 CG ASN A 105 -1.764 -10.793 -0.776 1.00 0.00 C ATOM 438 OD1 ASN A 105 -1.604 -9.574 -0.742 1.00 0.00 O ATOM 439 ND2 ASN A 105 -1.069 -11.608 -0.006 1.00 0.00 N ATOM 0 H ASN A 105 -1.565 -9.210 -2.816 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.526 -11.216 -3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.715 -11.626 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -2.429 -12.401 -2.041 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.376 -11.231 0.641 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.225 -12.615 -0.057 1.00 0.00 H new ATOM 446 N VAL A 106 -5.291 -9.520 -3.407 1.00 0.00 N ATOM 447 CA VAL A 106 -6.450 -8.636 -3.181 1.00 0.00 C ATOM 448 C VAL A 106 -7.123 -8.861 -1.814 1.00 0.00 C ATOM 449 O VAL A 106 -7.989 -8.085 -1.407 1.00 0.00 O ATOM 450 CB VAL A 106 -7.504 -8.775 -4.303 1.00 0.00 C ATOM 451 CG1 VAL A 106 -6.937 -8.293 -5.629 1.00 0.00 C ATOM 452 CG2 VAL A 106 -7.981 -10.214 -4.421 1.00 0.00 C ATOM 0 H VAL A 106 -5.369 -10.096 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.046 -7.624 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.360 -8.152 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.693 -8.398 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.649 -7.245 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.063 -8.890 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.722 -10.288 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.134 -10.860 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.429 -10.527 -3.478 1.00 0.00 H new ATOM 462 N HIS A 107 -6.731 -9.929 -1.117 1.00 0.00 N ATOM 463 CA HIS A 107 -7.255 -10.211 0.228 1.00 0.00 C ATOM 464 C HIS A 107 -6.640 -9.250 1.253 1.00 0.00 C ATOM 465 O HIS A 107 -6.893 -9.343 2.456 1.00 0.00 O ATOM 466 CB HIS A 107 -6.989 -11.666 0.632 1.00 0.00 C ATOM 467 CG HIS A 107 -7.632 -12.671 -0.274 1.00 0.00 C ATOM 468 ND1 HIS A 107 -8.994 -12.785 -0.429 1.00 0.00 N ATOM 469 CD2 HIS A 107 -7.089 -13.597 -1.092 1.00 0.00 C ATOM 470 CE1 HIS A 107 -9.258 -13.735 -1.302 1.00 0.00 C ATOM 471 NE2 HIS A 107 -8.120 -14.242 -1.721 1.00 0.00 N ATOM 0 H HIS A 107 -6.055 -10.613 -1.457 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.334 -10.060 0.208 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.913 -11.839 0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -7.350 -11.823 1.648 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -9.691 -12.221 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.035 -13.793 -1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.243 -14.045 -1.620 1.00 0.00 H new ATOM 480 N LYS A 108 -5.844 -8.328 0.753 1.00 0.00 N ATOM 481 CA LYS A 108 -5.218 -7.299 1.548 1.00 0.00 C ATOM 482 C LYS A 108 -5.449 -5.976 0.870 1.00 0.00 C ATOM 483 O LYS A 108 -5.687 -5.934 -0.339 1.00 0.00 O ATOM 484 CB LYS A 108 -3.709 -7.510 1.668 1.00 0.00 C ATOM 485 CG LYS A 108 -3.271 -8.671 2.514 1.00 0.00 C ATOM 486 CD LYS A 108 -1.791 -8.556 2.786 1.00 0.00 C ATOM 487 CE LYS A 108 -1.293 -9.641 3.709 1.00 0.00 C ATOM 488 NZ LYS A 108 -1.341 -10.981 3.083 1.00 0.00 N ATOM 0 H LYS A 108 -5.611 -8.274 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.651 -7.330 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.300 -7.641 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.267 -6.601 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.826 -8.682 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.487 -9.610 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.246 -8.605 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.579 -7.582 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.268 -9.419 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.895 -9.646 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.560 -11.695 3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.077 -10.995 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.419 -11.196 2.653 1.00 0.00 H new ATOM 502 N TYR A 109 -5.388 -4.907 1.616 1.00 0.00 N ATOM 503 CA TYR A 109 -5.539 -3.599 1.028 1.00 0.00 C ATOM 504 C TYR A 109 -4.608 -2.612 1.695 1.00 0.00 C ATOM 505 O TYR A 109 -4.113 -2.863 2.786 1.00 0.00 O ATOM 506 CB TYR A 109 -6.997 -3.125 1.069 1.00 0.00 C ATOM 507 CG TYR A 109 -7.448 -2.483 2.360 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.709 -3.238 3.497 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.632 -1.111 2.428 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.140 -2.637 4.664 1.00 0.00 C ATOM 511 CE2 TYR A 109 -8.058 -0.505 3.585 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.312 -1.268 4.700 1.00 0.00 C ATOM 513 OH TYR A 109 -8.735 -0.657 5.856 1.00 0.00 O ATOM 0 H TYR A 109 -5.236 -4.912 2.625 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.262 -3.665 -0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.149 -2.412 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.642 -3.980 0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.573 -4.309 3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.437 -0.507 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.341 -3.234 5.541 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.193 0.566 3.618 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.803 0.310 5.709 1.00 0.00 H new ATOM 523 N ILE A 110 -4.366 -1.508 1.045 1.00 0.00 N ATOM 524 CA ILE A 110 -3.473 -0.512 1.571 1.00 0.00 C ATOM 525 C ILE A 110 -4.186 0.812 1.679 1.00 0.00 C ATOM 526 O ILE A 110 -4.994 1.163 0.818 1.00 0.00 O ATOM 527 CB ILE A 110 -2.210 -0.310 0.682 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.625 -1.641 0.213 1.00 0.00 C ATOM 529 CG2 ILE A 110 -1.154 0.484 1.426 1.00 0.00 C ATOM 530 CD1 ILE A 110 -2.185 -2.108 -1.107 1.00 0.00 C ATOM 0 H ILE A 110 -4.778 -1.273 0.142 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.152 -0.868 2.550 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.524 0.248 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.543 -1.544 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.817 -2.401 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.280 0.614 0.788 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.556 1.461 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.866 -0.052 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.727 -3.058 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.264 -2.237 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.970 -1.366 -1.876 1.00 0.00 H new ATOM 542 N ILE A 111 -3.908 1.530 2.733 1.00 0.00 N ATOM 543 CA ILE A 111 -4.445 2.848 2.901 1.00 0.00 C ATOM 544 C ILE A 111 -3.391 3.828 2.445 1.00 0.00 C ATOM 545 O ILE A 111 -2.320 3.925 3.059 1.00 0.00 O ATOM 546 CB ILE A 111 -4.841 3.156 4.375 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.923 2.189 4.872 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.327 4.591 4.506 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.387 0.857 5.356 1.00 0.00 C ATOM 0 H ILE A 111 -3.306 1.218 3.495 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.359 2.929 2.312 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.953 3.023 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.474 2.663 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.634 2.011 4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.600 4.790 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.533 5.273 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.197 4.740 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.215 0.231 5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.861 0.359 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.699 1.021 6.185 1.00 0.00 H new ATOM 561 N CYS A 112 -3.658 4.514 1.360 1.00 0.00 N ATOM 562 CA CYS A 112 -2.699 5.435 0.809 1.00 0.00 C ATOM 563 C CYS A 112 -3.007 6.852 1.245 1.00 0.00 C ATOM 564 O CYS A 112 -4.098 7.371 0.994 1.00 0.00 O ATOM 565 CB CYS A 112 -2.705 5.340 -0.716 1.00 0.00 C ATOM 566 SG CYS A 112 -2.493 3.643 -1.356 1.00 0.00 S ATOM 0 H CYS A 112 -4.534 4.450 0.842 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.709 5.170 1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.645 5.744 -1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.908 5.969 -1.112 1.00 0.00 H new ATOM 571 N SER A 113 -2.050 7.475 1.892 1.00 0.00 N ATOM 572 CA SER A 113 -2.201 8.831 2.342 1.00 0.00 C ATOM 573 C SER A 113 -1.041 9.665 1.826 1.00 0.00 C ATOM 574 O SER A 113 0.108 9.224 1.844 1.00 0.00 O ATOM 575 CB SER A 113 -2.262 8.877 3.875 1.00 0.00 C ATOM 576 OG SER A 113 -2.535 10.190 4.342 1.00 0.00 O ATOM 0 H SER A 113 -1.149 7.054 2.119 1.00 0.00 H new ATOM 0 HA SER A 113 -3.133 9.241 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.034 8.194 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.315 8.531 4.289 1.00 0.00 H new ATOM 0 HG SER A 113 -2.570 10.188 5.321 1.00 0.00 H new ATOM 582 N LYS A 114 -1.335 10.853 1.361 1.00 0.00 N ATOM 583 CA LYS A 114 -0.311 11.719 0.830 1.00 0.00 C ATOM 584 C LYS A 114 -0.057 12.874 1.771 1.00 0.00 C ATOM 585 O LYS A 114 -0.973 13.636 2.100 1.00 0.00 O ATOM 586 CB LYS A 114 -0.701 12.239 -0.554 1.00 0.00 C ATOM 587 CG LYS A 114 0.328 13.172 -1.167 1.00 0.00 C ATOM 588 CD LYS A 114 -0.084 13.624 -2.554 1.00 0.00 C ATOM 589 CE LYS A 114 0.952 14.555 -3.149 1.00 0.00 C ATOM 590 NZ LYS A 114 0.619 14.953 -4.535 1.00 0.00 N ATOM 0 H LYS A 114 -2.277 11.244 1.339 1.00 0.00 H new ATOM 0 HA LYS A 114 0.606 11.139 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.853 11.391 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.655 12.762 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.459 14.042 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.292 12.667 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.213 12.756 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.048 14.130 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.036 15.447 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 114 1.926 14.066 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.356 15.590 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.565 14.106 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.298 15.444 -4.544 1.00 0.00 H new ATOM 604 N SER A 115 1.171 13.003 2.209 1.00 0.00 N ATOM 605 CA SER A 115 1.569 14.059 3.093 1.00 0.00 C ATOM 606 C SER A 115 2.592 14.937 2.376 1.00 0.00 C ATOM 607 O SER A 115 3.746 14.541 2.203 1.00 0.00 O ATOM 608 CB SER A 115 2.175 13.456 4.360 1.00 0.00 C ATOM 609 OG SER A 115 1.248 12.582 4.989 1.00 0.00 O ATOM 0 H SER A 115 1.928 12.368 1.956 1.00 0.00 H new ATOM 0 HA SER A 115 0.708 14.666 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.086 12.911 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.458 14.252 5.049 1.00 0.00 H new ATOM 0 HG SER A 115 1.652 12.203 5.797 1.00 0.00 H new ATOM 615 N GLY A 116 2.166 16.118 1.959 1.00 0.00 N ATOM 616 CA GLY A 116 3.034 16.989 1.192 1.00 0.00 C ATOM 617 C GLY A 116 3.493 16.350 -0.102 1.00 0.00 C ATOM 618 O GLY A 116 2.697 16.142 -1.018 1.00 0.00 O ATOM 0 H GLY A 116 1.234 16.491 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 116 2.508 17.917 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 116 3.904 17.252 1.793 1.00 0.00 H new ATOM 622 N SER A 117 4.771 16.032 -0.173 1.00 0.00 N ATOM 623 CA SER A 117 5.342 15.397 -1.347 1.00 0.00 C ATOM 624 C SER A 117 5.788 13.979 -1.012 1.00 0.00 C ATOM 625 O SER A 117 6.526 13.351 -1.767 1.00 0.00 O ATOM 626 CB SER A 117 6.522 16.214 -1.864 1.00 0.00 C ATOM 627 OG SER A 117 6.142 17.564 -2.102 1.00 0.00 O ATOM 0 H SER A 117 5.441 16.205 0.577 1.00 0.00 H new ATOM 0 HA SER A 117 4.582 15.349 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.335 16.184 -1.139 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.900 15.771 -2.785 1.00 0.00 H new ATOM 0 HG SER A 117 6.915 18.068 -2.431 1.00 0.00 H new ATOM 633 N LEU A 118 5.300 13.472 0.104 1.00 0.00 N ATOM 634 CA LEU A 118 5.670 12.168 0.592 1.00 0.00 C ATOM 635 C LEU A 118 4.426 11.334 0.794 1.00 0.00 C ATOM 636 O LEU A 118 3.394 11.848 1.213 1.00 0.00 O ATOM 637 CB LEU A 118 6.414 12.301 1.918 1.00 0.00 C ATOM 638 CG LEU A 118 7.943 12.241 1.852 1.00 0.00 C ATOM 639 CD1 LEU A 118 8.507 13.444 1.113 1.00 0.00 C ATOM 640 CD2 LEU A 118 8.531 12.145 3.249 1.00 0.00 C ATOM 0 H LEU A 118 4.631 13.962 0.698 1.00 0.00 H new ATOM 0 HA LEU A 118 6.321 11.684 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.129 13.248 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 118 6.070 11.509 2.583 1.00 0.00 H new ATOM 0 HG LEU A 118 8.223 11.346 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 118 9.594 13.375 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 118 8.115 13.463 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 118 8.216 14.358 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 118 9.618 12.103 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 118 8.235 13.019 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.162 11.243 3.738 1.00 0.00 H new ATOM 652 N TRP A 119 4.498 10.067 0.483 1.00 0.00 N ATOM 653 CA TRP A 119 3.352 9.200 0.658 1.00 0.00 C ATOM 654 C TRP A 119 3.538 8.257 1.836 1.00 0.00 C ATOM 655 O TRP A 119 4.619 7.711 2.054 1.00 0.00 O ATOM 656 CB TRP A 119 3.064 8.403 -0.619 1.00 0.00 C ATOM 657 CG TRP A 119 2.457 9.212 -1.720 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.085 10.134 -2.506 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.100 9.159 -2.168 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.196 10.663 -3.408 1.00 0.00 N ATOM 661 CE2 TRP A 119 0.973 10.080 -3.223 1.00 0.00 C ATOM 662 CE3 TRP A 119 -0.021 8.424 -1.777 1.00 0.00 C ATOM 663 CZ2 TRP A 119 -0.228 10.284 -3.892 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -1.212 8.628 -2.443 1.00 0.00 C ATOM 665 CH2 TRP A 119 -1.306 9.551 -3.490 1.00 0.00 C ATOM 0 H TRP A 119 5.330 9.610 0.109 1.00 0.00 H new ATOM 0 HA TRP A 119 2.495 9.839 0.870 1.00 0.00 H new ATOM 0 HB2 TRP A 119 3.994 7.962 -0.977 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.394 7.579 -0.376 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.127 10.407 -2.430 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.413 11.376 -4.104 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.043 7.710 -0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.305 10.996 -4.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -2.087 8.066 -2.151 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.253 9.686 -3.991 1.00 0.00 H new ATOM 676 N TYR A 120 2.488 8.089 2.599 1.00 0.00 N ATOM 677 CA TYR A 120 2.486 7.171 3.712 1.00 0.00 C ATOM 678 C TYR A 120 1.397 6.147 3.521 1.00 0.00 C ATOM 679 O TYR A 120 0.221 6.492 3.375 1.00 0.00 O ATOM 680 CB TYR A 120 2.313 7.903 5.034 1.00 0.00 C ATOM 681 CG TYR A 120 3.537 8.681 5.448 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.558 8.066 6.159 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.679 10.021 5.122 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.684 8.765 6.537 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.805 10.728 5.495 1.00 0.00 C ATOM 686 CZ TYR A 120 5.803 10.094 6.202 1.00 0.00 C ATOM 687 OH TYR A 120 6.927 10.795 6.580 1.00 0.00 O ATOM 0 H TYR A 120 1.607 8.586 2.466 1.00 0.00 H new ATOM 0 HA TYR A 120 3.451 6.665 3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.466 8.585 4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 120 2.069 7.180 5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.469 7.022 6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.897 10.519 4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.468 8.272 7.093 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.903 11.771 5.234 1.00 0.00 H new ATOM 0 HH TYR A 120 6.857 11.720 6.265 1.00 0.00 H new ATOM 697 N ILE A 121 1.785 4.896 3.500 1.00 0.00 N ATOM 698 CA ILE A 121 0.851 3.821 3.248 1.00 0.00 C ATOM 699 C ILE A 121 0.848 2.799 4.378 1.00 0.00 C ATOM 700 O ILE A 121 1.794 2.720 5.167 1.00 0.00 O ATOM 701 CB ILE A 121 1.156 3.119 1.885 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.523 2.403 1.894 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.111 4.128 0.751 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.471 0.962 2.377 1.00 0.00 C ATOM 0 H ILE A 121 2.747 4.593 3.655 1.00 0.00 H new ATOM 0 HA ILE A 121 -0.142 4.267 3.196 1.00 0.00 H new ATOM 0 HB ILE A 121 0.386 2.363 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.936 2.421 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.209 2.963 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.325 3.625 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.120 4.579 0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 121 1.856 4.905 0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.473 0.533 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.090 0.934 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.813 0.384 1.728 1.00 0.00 H new ATOM 716 N THR A 122 -0.224 2.040 4.464 1.00 0.00 N ATOM 717 CA THR A 122 -0.351 0.983 5.455 1.00 0.00 C ATOM 718 C THR A 122 -1.157 -0.181 4.873 1.00 0.00 C ATOM 719 O THR A 122 -2.303 0.002 4.463 1.00 0.00 O ATOM 720 CB THR A 122 -1.047 1.507 6.732 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.350 2.668 7.215 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.067 0.442 7.820 1.00 0.00 C ATOM 0 H THR A 122 -1.034 2.135 3.851 1.00 0.00 H new ATOM 0 HA THR A 122 0.649 0.640 5.720 1.00 0.00 H new ATOM 0 HB THR A 122 -2.076 1.765 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.792 3.002 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.562 0.837 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.608 -0.434 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.045 0.159 8.071 1.00 0.00 H new ATOM 730 N VAL A 123 -0.560 -1.366 4.827 1.00 0.00 N ATOM 731 CA VAL A 123 -1.232 -2.526 4.257 1.00 0.00 C ATOM 732 C VAL A 123 -1.951 -3.332 5.334 1.00 0.00 C ATOM 733 O VAL A 123 -1.332 -3.958 6.190 1.00 0.00 O ATOM 734 CB VAL A 123 -0.266 -3.440 3.436 1.00 0.00 C ATOM 735 CG1 VAL A 123 0.948 -3.858 4.257 1.00 0.00 C ATOM 736 CG2 VAL A 123 -1.006 -4.668 2.906 1.00 0.00 C ATOM 0 H VAL A 123 0.381 -1.548 5.175 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.974 -2.139 3.559 1.00 0.00 H new ATOM 0 HB VAL A 123 0.095 -2.858 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.596 -4.492 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.499 -2.971 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.619 -4.410 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.316 -5.291 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.407 -5.240 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.824 -4.349 2.260 1.00 0.00 H new ATOM 746 N MET A 124 -3.257 -3.293 5.291 1.00 0.00 N ATOM 747 CA MET A 124 -4.074 -4.003 6.244 1.00 0.00 C ATOM 748 C MET A 124 -4.754 -5.187 5.571 1.00 0.00 C ATOM 749 O MET A 124 -5.411 -5.032 4.541 1.00 0.00 O ATOM 750 CB MET A 124 -5.125 -3.062 6.853 1.00 0.00 C ATOM 751 CG MET A 124 -4.548 -1.828 7.559 1.00 0.00 C ATOM 752 SD MET A 124 -4.048 -2.123 9.283 1.00 0.00 S ATOM 753 CE MET A 124 -2.607 -3.173 9.083 1.00 0.00 C ATOM 0 H MET A 124 -3.786 -2.768 4.594 1.00 0.00 H new ATOM 0 HA MET A 124 -3.434 -4.374 7.045 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.797 -2.730 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.726 -3.625 7.567 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.684 -1.472 6.997 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.291 -1.031 7.539 1.00 0.00 H new ATOM 0 HE1 MET A 124 -1.925 -3.019 9.919 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.919 -4.217 9.057 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.100 -2.922 8.151 1.00 0.00 H new ATOM 763 N PRO A 125 -4.575 -6.393 6.117 1.00 0.00 N ATOM 764 CA PRO A 125 -5.205 -7.589 5.577 1.00 0.00 C ATOM 765 C PRO A 125 -6.685 -7.637 5.922 1.00 0.00 C ATOM 766 O PRO A 125 -7.076 -7.360 7.057 1.00 0.00 O ATOM 767 CB PRO A 125 -4.452 -8.731 6.265 1.00 0.00 C ATOM 768 CG PRO A 125 -3.971 -8.150 7.552 1.00 0.00 C ATOM 769 CD PRO A 125 -3.737 -6.683 7.299 1.00 0.00 C ATOM 0 HA PRO A 125 -5.154 -7.635 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.104 -9.588 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.620 -9.081 5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -4.708 -8.295 8.342 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.053 -8.638 7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.030 -6.077 8.156 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.685 -6.473 7.105 1.00 0.00 H new ATOM 777 N CYS A 126 -7.506 -7.977 4.953 1.00 0.00 N ATOM 778 CA CYS A 126 -8.929 -8.041 5.183 1.00 0.00 C ATOM 779 C CYS A 126 -9.315 -9.446 5.627 1.00 0.00 C ATOM 780 O CYS A 126 -8.444 -10.290 5.871 1.00 0.00 O ATOM 781 CB CYS A 126 -9.708 -7.643 3.925 1.00 0.00 C ATOM 782 SG CYS A 126 -11.428 -7.133 4.269 1.00 0.00 S ATOM 0 H CYS A 126 -7.214 -8.212 4.004 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.186 -7.333 5.971 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.187 -6.825 3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.718 -8.484 3.231 1.00 0.00 H new ATOM 787 N SER A 127 -10.601 -9.690 5.747 1.00 0.00 N ATOM 788 CA SER A 127 -11.095 -10.983 6.153 1.00 0.00 C ATOM 789 C SER A 127 -10.755 -12.050 5.114 1.00 0.00 C ATOM 790 O SER A 127 -10.854 -11.813 3.902 1.00 0.00 O ATOM 791 CB SER A 127 -12.603 -10.910 6.376 1.00 0.00 C ATOM 792 OG SER A 127 -12.917 -9.927 7.353 1.00 0.00 O ATOM 0 H SER A 127 -11.330 -9.000 5.566 1.00 0.00 H new ATOM 0 HA SER A 127 -10.610 -11.265 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.104 -10.671 5.438 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.976 -11.882 6.698 1.00 0.00 H new ATOM 0 HG SER A 127 -13.888 -9.893 7.482 1.00 0.00 H new ATOM 798 N ILE A 128 -10.332 -13.209 5.586 1.00 0.00 N ATOM 799 CA ILE A 128 -10.005 -14.314 4.708 1.00 0.00 C ATOM 800 C ILE A 128 -11.237 -14.716 3.901 1.00 0.00 C ATOM 801 O ILE A 128 -12.338 -14.838 4.445 1.00 0.00 O ATOM 802 CB ILE A 128 -9.436 -15.541 5.498 1.00 0.00 C ATOM 803 CG1 ILE A 128 -7.992 -15.272 5.967 1.00 0.00 C ATOM 804 CG2 ILE A 128 -9.482 -16.814 4.657 1.00 0.00 C ATOM 805 CD1 ILE A 128 -7.859 -14.207 7.034 1.00 0.00 C ATOM 0 H ILE A 128 -10.207 -13.408 6.579 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.221 -13.982 4.027 1.00 0.00 H new ATOM 0 HB ILE A 128 -10.069 -15.685 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -7.569 -16.202 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -7.393 -14.979 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -9.080 -17.646 5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -10.514 -17.030 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -8.885 -16.676 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.809 -14.088 7.300 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -8.247 -13.262 6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -8.425 -14.504 7.917 1.00 0.00 H new ATOM 817 N GLY A 129 -11.046 -14.917 2.617 1.00 0.00 N ATOM 818 CA GLY A 129 -12.155 -15.238 1.749 1.00 0.00 C ATOM 819 C GLY A 129 -12.748 -14.016 1.071 1.00 0.00 C ATOM 820 O GLY A 129 -13.468 -14.143 0.085 1.00 0.00 O ATOM 0 H GLY A 129 -10.139 -14.864 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -11.822 -15.944 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -12.931 -15.738 2.329 1.00 0.00 H new ATOM 824 N THR A 130 -12.464 -12.829 1.592 1.00 0.00 N ATOM 825 CA THR A 130 -12.974 -11.612 0.984 1.00 0.00 C ATOM 826 C THR A 130 -11.845 -10.828 0.330 1.00 0.00 C ATOM 827 O THR A 130 -10.674 -11.016 0.668 1.00 0.00 O ATOM 828 CB THR A 130 -13.720 -10.712 2.006 1.00 0.00 C ATOM 829 OG1 THR A 130 -12.856 -10.352 3.087 1.00 0.00 O ATOM 830 CG2 THR A 130 -14.947 -11.423 2.557 1.00 0.00 C ATOM 0 H THR A 130 -11.891 -12.686 2.423 1.00 0.00 H new ATOM 0 HA THR A 130 -13.694 -11.914 0.223 1.00 0.00 H new ATOM 0 HB THR A 130 -14.036 -9.809 1.484 1.00 0.00 H new ATOM 0 HG1 THR A 130 -11.989 -10.794 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.454 -10.774 3.271 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.626 -11.663 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 130 -14.641 -12.342 3.056 1.00 0.00 H new ATOM 838 N LYS A 131 -12.192 -9.975 -0.609 1.00 0.00 N ATOM 839 CA LYS A 131 -11.220 -9.177 -1.330 1.00 0.00 C ATOM 840 C LYS A 131 -11.640 -7.716 -1.329 1.00 0.00 C ATOM 841 O LYS A 131 -12.832 -7.407 -1.375 1.00 0.00 O ATOM 842 CB LYS A 131 -11.084 -9.690 -2.766 1.00 0.00 C ATOM 843 CG LYS A 131 -12.398 -9.725 -3.534 1.00 0.00 C ATOM 844 CD LYS A 131 -12.218 -10.318 -4.915 1.00 0.00 C ATOM 845 CE LYS A 131 -13.542 -10.410 -5.653 1.00 0.00 C ATOM 846 NZ LYS A 131 -13.395 -11.062 -6.976 1.00 0.00 N ATOM 0 H LYS A 131 -13.157 -9.814 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.253 -9.262 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.377 -9.057 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.660 -10.694 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -13.130 -10.311 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.797 -8.714 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.522 -9.706 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.776 -11.311 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -14.255 -10.971 -5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.954 -9.409 -5.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -14.321 -11.105 -7.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -12.734 -10.513 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -13.026 -12.026 -6.849 1.00 0.00 H new ATOM 860 N PHE A 132 -10.674 -6.831 -1.263 1.00 0.00 N ATOM 861 CA PHE A 132 -10.950 -5.408 -1.238 1.00 0.00 C ATOM 862 C PHE A 132 -11.144 -4.867 -2.653 1.00 0.00 C ATOM 863 O PHE A 132 -10.376 -5.187 -3.562 1.00 0.00 O ATOM 864 CB PHE A 132 -9.810 -4.674 -0.537 1.00 0.00 C ATOM 865 CG PHE A 132 -10.122 -3.252 -0.167 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.759 -2.959 1.026 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.764 -2.208 -1.002 1.00 0.00 C ATOM 868 CE1 PHE A 132 -11.033 -1.655 1.378 1.00 0.00 C ATOM 869 CE2 PHE A 132 -10.037 -0.902 -0.657 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.671 -0.624 0.536 1.00 0.00 C ATOM 0 H PHE A 132 -9.683 -7.070 -1.225 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.874 -5.241 -0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.543 -5.222 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.934 -4.684 -1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -11.045 -3.762 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.264 -2.419 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.531 -1.441 2.312 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.755 -0.097 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.884 0.399 0.810 1.00 0.00 H new ATOM 880 N ASP A 133 -12.175 -4.061 -2.834 1.00 0.00 N ATOM 881 CA ASP A 133 -12.465 -3.456 -4.126 1.00 0.00 C ATOM 882 C ASP A 133 -11.942 -2.026 -4.159 1.00 0.00 C ATOM 883 O ASP A 133 -12.206 -1.250 -3.247 1.00 0.00 O ATOM 884 CB ASP A 133 -13.972 -3.475 -4.403 1.00 0.00 C ATOM 885 CG ASP A 133 -14.313 -2.999 -5.801 1.00 0.00 C ATOM 886 OD1 ASP A 133 -14.228 -3.812 -6.743 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.682 -1.814 -5.967 1.00 0.00 O ATOM 0 H ASP A 133 -12.832 -3.807 -2.096 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.965 -4.035 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.350 -4.488 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.480 -2.843 -3.674 1.00 0.00 H new ATOM 892 N PRO A 134 -11.195 -1.662 -5.215 1.00 0.00 N ATOM 893 CA PRO A 134 -10.570 -0.333 -5.330 1.00 0.00 C ATOM 894 C PRO A 134 -11.579 0.810 -5.450 1.00 0.00 C ATOM 895 O PRO A 134 -11.430 1.846 -4.809 1.00 0.00 O ATOM 896 CB PRO A 134 -9.735 -0.439 -6.615 1.00 0.00 C ATOM 897 CG PRO A 134 -10.355 -1.551 -7.391 1.00 0.00 C ATOM 898 CD PRO A 134 -10.898 -2.517 -6.381 1.00 0.00 C ATOM 0 HA PRO A 134 -9.993 -0.094 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.757 0.494 -7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.690 -0.651 -6.390 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -11.149 -1.178 -8.038 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.619 -2.034 -8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.792 -3.021 -6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.172 -3.293 -6.136 1.00 0.00 H new ATOM 906 N ILE A 135 -12.595 0.618 -6.268 1.00 0.00 N ATOM 907 CA ILE A 135 -13.582 1.656 -6.508 1.00 0.00 C ATOM 908 C ILE A 135 -14.558 1.783 -5.343 1.00 0.00 C ATOM 909 O ILE A 135 -14.777 2.882 -4.826 1.00 0.00 O ATOM 910 CB ILE A 135 -14.350 1.417 -7.848 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.480 1.813 -9.058 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.667 2.182 -7.878 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.217 0.994 -9.228 1.00 0.00 C ATOM 0 H ILE A 135 -12.760 -0.249 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 135 -13.040 2.598 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.573 0.352 -7.910 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -14.080 1.722 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.205 2.863 -8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -16.176 1.994 -8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -16.299 1.851 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -15.470 3.249 -7.778 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.671 1.345 -10.104 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -11.591 1.103 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -12.479 -0.056 -9.360 1.00 0.00 H new ATOM 925 N SER A 136 -15.128 0.662 -4.922 1.00 0.00 N ATOM 926 CA SER A 136 -16.092 0.659 -3.832 1.00 0.00 C ATOM 927 C SER A 136 -15.417 0.999 -2.501 1.00 0.00 C ATOM 928 O SER A 136 -16.036 1.606 -1.616 1.00 0.00 O ATOM 929 CB SER A 136 -16.770 -0.706 -3.751 1.00 0.00 C ATOM 930 OG SER A 136 -17.159 -1.153 -5.044 1.00 0.00 O ATOM 0 H SER A 136 -14.939 -0.258 -5.320 1.00 0.00 H new ATOM 0 HA SER A 136 -16.844 1.423 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 136 -16.090 -1.429 -3.300 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.645 -0.645 -3.104 1.00 0.00 H new ATOM 0 HG SER A 136 -16.389 -1.558 -5.495 1.00 0.00 H new ATOM 936 N ARG A 137 -14.153 0.575 -2.364 1.00 0.00 N ATOM 937 CA ARG A 137 -13.341 0.854 -1.175 1.00 0.00 C ATOM 938 C ARG A 137 -13.844 0.068 0.028 1.00 0.00 C ATOM 939 O ARG A 137 -13.905 0.585 1.147 1.00 0.00 O ATOM 940 CB ARG A 137 -13.298 2.357 -0.862 1.00 0.00 C ATOM 941 CG ARG A 137 -12.588 3.186 -1.920 1.00 0.00 C ATOM 942 CD ARG A 137 -12.761 4.674 -1.666 1.00 0.00 C ATOM 943 NE ARG A 137 -14.151 5.103 -1.852 1.00 0.00 N ATOM 944 CZ ARG A 137 -14.574 6.367 -1.736 1.00 0.00 C ATOM 945 NH1 ARG A 137 -13.732 7.326 -1.369 1.00 0.00 N ATOM 946 NH2 ARG A 137 -15.844 6.663 -1.973 1.00 0.00 N ATOM 0 H ARG A 137 -13.666 0.029 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.323 0.530 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -14.318 2.724 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.800 2.505 0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.527 2.938 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.981 2.935 -2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -12.442 4.908 -0.651 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -12.115 5.235 -2.341 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.842 4.390 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -12.756 7.101 -1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -14.061 8.288 -1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -16.497 5.928 -2.243 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -16.168 7.626 -1.885 1.00 0.00 H new ATOM 960 N ASN A 138 -14.163 -1.197 -0.202 1.00 0.00 N ATOM 961 CA ASN A 138 -14.644 -2.084 0.847 1.00 0.00 C ATOM 962 C ASN A 138 -14.276 -3.518 0.485 1.00 0.00 C ATOM 963 O ASN A 138 -13.728 -3.762 -0.590 1.00 0.00 O ATOM 964 CB ASN A 138 -16.172 -1.959 1.029 1.00 0.00 C ATOM 965 CG ASN A 138 -16.972 -2.561 -0.121 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.545 -2.545 -1.272 1.00 0.00 O ATOM 967 ND2 ASN A 138 -18.133 -3.102 0.194 1.00 0.00 N ATOM 0 H ASN A 138 -14.096 -1.637 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.175 -1.803 1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -16.461 -2.450 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -16.433 -0.906 1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.711 -3.527 -0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -18.453 -3.095 1.163 1.00 0.00 H new ATOM 974 N CYS A 139 -14.568 -4.457 1.363 1.00 0.00 N ATOM 975 CA CYS A 139 -14.261 -5.854 1.088 1.00 0.00 C ATOM 976 C CYS A 139 -15.503 -6.620 0.671 1.00 0.00 C ATOM 977 O CYS A 139 -16.522 -6.608 1.363 1.00 0.00 O ATOM 978 CB CYS A 139 -13.619 -6.533 2.299 1.00 0.00 C ATOM 979 SG CYS A 139 -11.939 -5.958 2.698 1.00 0.00 S ATOM 0 H CYS A 139 -15.013 -4.285 2.265 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.549 -5.866 0.263 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -14.258 -6.374 3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -13.587 -7.608 2.120 1.00 0.00 H new ATOM 984 N VAL A 140 -15.413 -7.278 -0.465 1.00 0.00 N ATOM 985 CA VAL A 140 -16.496 -8.092 -0.975 1.00 0.00 C ATOM 986 C VAL A 140 -16.060 -9.547 -0.998 1.00 0.00 C ATOM 987 O VAL A 140 -14.868 -9.838 -0.957 1.00 0.00 O ATOM 988 CB VAL A 140 -16.926 -7.656 -2.400 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.485 -6.239 -2.383 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.759 -7.760 -3.376 1.00 0.00 C ATOM 0 H VAL A 140 -14.586 -7.264 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.355 -7.962 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.712 -8.332 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.781 -5.952 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.353 -6.198 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.722 -5.551 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -16.086 -7.449 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.947 -7.114 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.409 -8.792 -3.416 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.009 -10.452 -1.038 1.00 0.00 N ATOM 1001 CA LEU A 141 -16.699 -11.872 -1.055 1.00 0.00 C ATOM 1002 C LEU A 141 -15.931 -12.259 -2.318 1.00 0.00 C ATOM 1003 O LEU A 141 -16.268 -11.830 -3.424 1.00 0.00 O ATOM 1004 CB LEU A 141 -17.980 -12.706 -0.939 1.00 0.00 C ATOM 1005 CG LEU A 141 -17.783 -14.225 -0.866 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -16.997 -14.606 0.382 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -19.124 -14.940 -0.893 1.00 0.00 C ATOM 0 H LEU A 141 -18.005 -10.235 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.063 -12.081 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -18.520 -12.385 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.616 -12.482 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 141 -17.210 -14.538 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -16.868 -15.688 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -16.019 -14.125 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -17.540 -14.278 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.963 -16.017 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -19.724 -14.621 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -19.648 -14.696 -1.817 1.00 0.00 H new ATOM 1019 N ASP A 142 -14.894 -13.058 -2.140 1.00 0.00 N ATOM 1020 CA ASP A 142 -14.108 -13.542 -3.255 1.00 0.00 C ATOM 1021 C ASP A 142 -14.583 -14.922 -3.631 1.00 0.00 C ATOM 1022 O ASP A 142 -14.211 -15.914 -3.000 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.610 -13.566 -2.917 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.761 -14.143 -4.043 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -11.734 -13.545 -5.137 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -11.106 -15.191 -3.829 1.00 0.00 O ATOM 0 H ASP A 142 -14.577 -13.386 -1.227 1.00 0.00 H new ATOM 0 HA ASP A 142 -14.241 -12.863 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.275 -12.552 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.455 -14.155 -2.013 1.00 0.00 H new