USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 692 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 95 TYR OH : rot -56:sc= 1.27 USER MOD Set 1.2: A 99 GLN : amide:sc= 0.94 K(o=2.2,f=-2.1) USER MOD Set 2.1: A 50 MET CE :methyl -177:sc= 0 (180deg=-0.0077) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= 0.107 (180deg=-0.0972) USER MOD Single : A 14 CYS SG : rot -162:sc= -1.69! USER MOD Single : A 15 LYS NZ :NH3+ -120:sc= 1.01 (180deg=-0.0707) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0173 (180deg=-0.147) USER MOD Single : A 23 ASN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 37 THR OG1 : rot -45:sc= 1.27 USER MOD Single : A 46 TYR OH : rot 0:sc= 0 USER MOD Single : A 47 SER OG : rot -110:sc= -0.0042 USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0.324 (180deg=0.249) USER MOD Single : A 53 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 1.77 K(o=1.8,f=-8.7!) USER MOD Single : A 67 THR OG1 : rot 65:sc= 1.24 USER MOD Single : A 68 ASN : amide:sc= 0.0246 K(o=0.025,f=-2.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc=-0.000267 X(o=-0.00027,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.377 -1.089 -4.474 1.00 0.00 N ATOM 30 CA ASP A 3 -0.912 -1.308 -5.845 1.00 0.00 C ATOM 31 C ASP A 3 -2.471 -1.080 -5.893 1.00 0.00 C ATOM 32 O ASP A 3 -3.192 -1.905 -5.320 1.00 0.00 O ATOM 33 CB ASP A 3 -0.460 -2.736 -6.256 1.00 0.00 C ATOM 34 CG ASP A 3 -0.804 -3.125 -7.694 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.935 -3.420 -8.068 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.281 -3.102 -8.515 1.00 0.00 O ATOM 0 HA ASP A 3 -0.523 -0.587 -6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.619 -2.814 -6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.919 -3.457 -5.579 1.00 0.00 H new ATOM 41 N PRO A 4 -3.041 -0.051 -6.596 1.00 0.00 N ATOM 42 CA PRO A 4 -4.520 0.119 -6.744 1.00 0.00 C ATOM 43 C PRO A 4 -5.372 -1.025 -7.384 1.00 0.00 C ATOM 44 O PRO A 4 -6.505 -1.246 -6.952 1.00 0.00 O ATOM 45 CB PRO A 4 -4.635 1.439 -7.534 1.00 0.00 C ATOM 46 CG PRO A 4 -3.346 2.198 -7.228 1.00 0.00 C ATOM 47 CD PRO A 4 -2.287 1.101 -7.130 1.00 0.00 C ATOM 0 HA PRO A 4 -4.966 0.107 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.738 1.251 -8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.511 2.009 -7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.108 2.914 -8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.425 2.761 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.847 0.878 -8.102 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.470 1.389 -6.469 1.00 0.00 H new ATOM 55 N ALA A 5 -4.841 -1.755 -8.384 1.00 0.00 N ATOM 56 CA ALA A 5 -5.498 -2.975 -8.940 1.00 0.00 C ATOM 57 C ALA A 5 -5.627 -4.183 -7.950 1.00 0.00 C ATOM 58 O ALA A 5 -6.726 -4.725 -7.793 1.00 0.00 O ATOM 59 CB ALA A 5 -4.765 -3.339 -10.245 1.00 0.00 C ATOM 0 H ALA A 5 -3.954 -1.527 -8.832 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.543 -2.737 -9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.219 -4.229 -10.681 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.842 -2.510 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.715 -3.536 -10.030 1.00 0.00 H new ATOM 65 N ALA A 6 -4.550 -4.548 -7.222 1.00 0.00 N ATOM 66 CA ALA A 6 -4.657 -5.354 -5.972 1.00 0.00 C ATOM 67 C ALA A 6 -5.592 -4.767 -4.860 1.00 0.00 C ATOM 68 O ALA A 6 -6.421 -5.498 -4.315 1.00 0.00 O ATOM 69 CB ALA A 6 -3.225 -5.583 -5.456 1.00 0.00 C ATOM 0 H ALA A 6 -3.593 -4.300 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.153 -6.291 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.258 -6.171 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.648 -6.119 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.753 -4.622 -5.253 1.00 0.00 H new ATOM 75 N GLY A 7 -5.518 -3.453 -4.576 1.00 0.00 N ATOM 76 CA GLY A 7 -6.504 -2.750 -3.714 1.00 0.00 C ATOM 77 C GLY A 7 -8.007 -2.830 -4.057 1.00 0.00 C ATOM 78 O GLY A 7 -8.807 -2.943 -3.133 1.00 0.00 O ATOM 0 H GLY A 7 -4.780 -2.846 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.380 -3.129 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.229 -1.695 -3.696 1.00 0.00 H new ATOM 82 N GLU A 8 -8.394 -2.817 -5.344 1.00 0.00 N ATOM 83 CA GLU A 8 -9.782 -3.151 -5.789 1.00 0.00 C ATOM 84 C GLU A 8 -10.284 -4.581 -5.363 1.00 0.00 C ATOM 85 O GLU A 8 -11.379 -4.698 -4.805 1.00 0.00 O ATOM 86 CB GLU A 8 -9.867 -2.915 -7.329 1.00 0.00 C ATOM 87 CG GLU A 8 -11.258 -2.550 -7.916 1.00 0.00 C ATOM 88 CD GLU A 8 -12.414 -3.525 -7.686 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.448 -4.668 -8.131 1.00 0.00 O ATOM 90 OE2 GLU A 8 -13.405 -2.977 -6.925 1.00 0.00 O ATOM 0 H GLU A 8 -7.766 -2.578 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.472 -2.487 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.171 -2.116 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.516 -3.818 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.550 -1.583 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.142 -2.418 -8.992 1.00 0.00 H new ATOM 97 N LYS A 9 -9.486 -5.649 -5.580 1.00 0.00 N ATOM 98 CA LYS A 9 -9.774 -7.002 -5.012 1.00 0.00 C ATOM 99 C LYS A 9 -9.685 -7.141 -3.451 1.00 0.00 C ATOM 100 O LYS A 9 -10.561 -7.786 -2.866 1.00 0.00 O ATOM 101 CB LYS A 9 -9.041 -8.116 -5.807 1.00 0.00 C ATOM 102 CG LYS A 9 -7.500 -8.115 -5.799 1.00 0.00 C ATOM 103 CD LYS A 9 -6.907 -9.350 -6.505 1.00 0.00 C ATOM 104 CE LYS A 9 -5.371 -9.320 -6.553 1.00 0.00 C ATOM 105 NZ LYS A 9 -4.855 -10.567 -7.147 1.00 0.00 N ATOM 0 H LYS A 9 -8.636 -5.610 -6.143 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.843 -7.148 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.376 -9.078 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.370 -8.057 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.138 -7.211 -6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.145 -8.084 -4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.233 -10.252 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.298 -9.406 -7.521 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.035 -8.464 -7.138 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.971 -9.195 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.816 -10.535 -7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.161 -11.378 -6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.223 -10.669 -8.114 1.00 0.00 H new ATOM 118 N VAL A 10 -8.722 -6.494 -2.756 1.00 0.00 N ATOM 119 CA VAL A 10 -8.770 -6.317 -1.260 1.00 0.00 C ATOM 120 C VAL A 10 -10.047 -5.534 -0.758 1.00 0.00 C ATOM 121 O VAL A 10 -10.662 -5.948 0.230 1.00 0.00 O ATOM 122 CB VAL A 10 -7.424 -5.725 -0.699 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.389 -5.623 0.847 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.155 -6.528 -1.081 1.00 0.00 C ATOM 0 H VAL A 10 -7.898 -6.081 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.874 -7.317 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.408 -4.741 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.432 -5.207 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.197 -4.975 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.514 -6.616 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.277 -6.046 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.237 -7.544 -0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.057 -6.559 -2.166 1.00 0.00 H new ATOM 134 N PHE A 11 -10.490 -4.462 -1.451 1.00 0.00 N ATOM 135 CA PHE A 11 -11.822 -3.816 -1.235 1.00 0.00 C ATOM 136 C PHE A 11 -13.104 -4.720 -1.406 1.00 0.00 C ATOM 137 O PHE A 11 -14.173 -4.338 -0.925 1.00 0.00 O ATOM 138 CB PHE A 11 -11.834 -2.529 -2.116 1.00 0.00 C ATOM 139 CG PHE A 11 -12.887 -1.468 -1.759 1.00 0.00 C ATOM 140 CD1 PHE A 11 -12.592 -0.456 -0.839 1.00 0.00 C ATOM 141 CD2 PHE A 11 -14.146 -1.497 -2.365 1.00 0.00 C ATOM 142 CE1 PHE A 11 -13.556 0.495 -0.513 1.00 0.00 C ATOM 143 CE2 PHE A 11 -15.117 -0.562 -2.013 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.824 0.430 -1.084 1.00 0.00 C ATOM 0 H PHE A 11 -9.938 -4.012 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.913 -3.583 -0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.849 -2.066 -2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.986 -2.826 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.615 -0.412 -0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.367 -2.248 -3.109 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.319 1.285 0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.098 -0.608 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.580 1.150 -0.806 1.00 0.00 H new ATOM 154 N GLY A 12 -13.011 -5.949 -1.959 1.00 0.00 N ATOM 155 CA GLY A 12 -13.967 -7.053 -1.653 1.00 0.00 C ATOM 156 C GLY A 12 -14.323 -7.381 -0.176 1.00 0.00 C ATOM 157 O GLY A 12 -15.470 -7.737 0.096 1.00 0.00 O ATOM 0 H GLY A 12 -12.282 -6.209 -2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.900 -6.827 -2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.567 -7.963 -2.100 1.00 0.00 H new ATOM 161 N LYS A 13 -13.394 -7.188 0.777 1.00 0.00 N ATOM 162 CA LYS A 13 -13.737 -7.111 2.232 1.00 0.00 C ATOM 163 C LYS A 13 -14.497 -5.822 2.735 1.00 0.00 C ATOM 164 O LYS A 13 -14.929 -5.806 3.889 1.00 0.00 O ATOM 165 CB LYS A 13 -12.437 -7.353 3.054 1.00 0.00 C ATOM 166 CG LYS A 13 -11.844 -8.784 2.969 1.00 0.00 C ATOM 167 CD LYS A 13 -10.670 -9.050 3.936 1.00 0.00 C ATOM 168 CE LYS A 13 -11.099 -9.284 5.397 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.921 -9.529 6.253 1.00 0.00 N ATOM 0 H LYS A 13 -12.399 -7.081 0.579 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.482 -7.890 2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.679 -6.645 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.643 -7.126 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.636 -9.504 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.505 -8.963 1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.116 -9.922 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.985 -8.203 3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.647 -8.416 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.777 -10.136 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.000 -10.468 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.057 -9.489 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.875 -8.803 6.996 1.00 0.00 H new ATOM 182 N CYS A 14 -14.674 -4.771 1.913 1.00 0.00 N ATOM 183 CA CYS A 14 -15.447 -3.541 2.261 1.00 0.00 C ATOM 184 C CYS A 14 -16.783 -3.336 1.460 1.00 0.00 C ATOM 185 O CYS A 14 -17.761 -2.849 2.037 1.00 0.00 O ATOM 186 CB CYS A 14 -14.535 -2.303 2.074 1.00 0.00 C ATOM 187 SG CYS A 14 -12.800 -2.579 2.520 1.00 0.00 S ATOM 0 H CYS A 14 -14.282 -4.742 0.972 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.755 -3.669 3.299 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.584 -1.985 1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.927 -1.484 2.677 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.210 -1.434 2.696 1.00 0.00 H new ATOM 192 N LYS A 15 -16.824 -3.651 0.145 1.00 0.00 N ATOM 193 CA LYS A 15 -17.929 -3.258 -0.783 1.00 0.00 C ATOM 194 C LYS A 15 -19.387 -3.759 -0.516 1.00 0.00 C ATOM 195 O LYS A 15 -20.335 -3.102 -0.952 1.00 0.00 O ATOM 196 CB LYS A 15 -17.438 -3.523 -2.234 1.00 0.00 C ATOM 197 CG LYS A 15 -17.315 -4.996 -2.696 1.00 0.00 C ATOM 198 CD LYS A 15 -16.241 -5.263 -3.774 1.00 0.00 C ATOM 199 CE LYS A 15 -16.357 -4.513 -5.104 1.00 0.00 C ATOM 200 NZ LYS A 15 -15.266 -4.953 -5.997 1.00 0.00 N ATOM 0 H LYS A 15 -16.089 -4.189 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.101 -2.200 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.118 -3.014 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.461 -3.053 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.095 -5.615 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.282 -5.320 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.268 -5.028 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.244 -6.331 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.325 -4.711 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.297 -3.438 -4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.675 -4.136 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.684 -5.664 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.670 -5.369 -6.860 1.00 0.00 H new ATOM 213 N ALA A 16 -19.580 -4.863 0.231 1.00 0.00 N ATOM 214 CA ALA A 16 -20.899 -5.211 0.829 1.00 0.00 C ATOM 215 C ALA A 16 -21.521 -4.166 1.822 1.00 0.00 C ATOM 216 O ALA A 16 -22.734 -3.946 1.784 1.00 0.00 O ATOM 217 CB ALA A 16 -20.725 -6.594 1.486 1.00 0.00 C ATOM 0 H ALA A 16 -18.842 -5.535 0.439 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.635 -5.213 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.666 -6.901 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.435 -7.322 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.951 -6.538 2.252 1.00 0.00 H new ATOM 223 N CYS A 17 -20.710 -3.525 2.688 1.00 0.00 N ATOM 224 CA CYS A 17 -21.169 -2.400 3.543 1.00 0.00 C ATOM 225 C CYS A 17 -20.966 -0.970 2.930 1.00 0.00 C ATOM 226 O CYS A 17 -21.881 -0.142 3.004 1.00 0.00 O ATOM 227 CB CYS A 17 -20.457 -2.513 4.906 1.00 0.00 C ATOM 228 SG CYS A 17 -20.625 -4.150 5.682 1.00 0.00 S ATOM 0 H CYS A 17 -19.727 -3.766 2.817 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.250 -2.497 3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.398 -2.290 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.860 -1.757 5.581 1.00 0.00 H new ATOM 0 HG CYS A 17 -19.996 -4.157 6.820 1.00 0.00 H new ATOM 233 N HIS A 18 -19.769 -0.661 2.389 1.00 0.00 N ATOM 234 CA HIS A 18 -19.375 0.707 1.964 1.00 0.00 C ATOM 235 C HIS A 18 -19.410 0.854 0.416 1.00 0.00 C ATOM 236 O HIS A 18 -18.781 0.101 -0.334 1.00 0.00 O ATOM 237 CB HIS A 18 -17.943 1.007 2.464 1.00 0.00 C ATOM 238 CG HIS A 18 -17.828 1.316 3.949 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.775 2.590 4.454 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.501 0.398 4.946 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.311 2.351 5.705 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.198 1.042 6.154 1.00 0.00 N ATOM 0 H HIS A 18 -19.040 -1.357 2.232 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.087 1.412 2.394 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.309 0.150 2.237 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.548 1.853 1.901 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.018 3.475 4.010 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.483 -0.673 4.806 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.031 3.173 6.348 1.00 0.00 H new ATOM 250 N LYS A 19 -20.128 1.878 -0.045 1.00 0.00 N ATOM 251 CA LYS A 19 -20.528 1.999 -1.473 1.00 0.00 C ATOM 252 C LYS A 19 -19.784 3.205 -2.122 1.00 0.00 C ATOM 253 O LYS A 19 -20.011 4.367 -1.774 1.00 0.00 O ATOM 254 CB LYS A 19 -22.077 2.130 -1.538 1.00 0.00 C ATOM 255 CG LYS A 19 -22.893 0.935 -0.970 1.00 0.00 C ATOM 256 CD LYS A 19 -24.324 1.322 -0.537 1.00 0.00 C ATOM 257 CE LYS A 19 -25.097 0.184 0.158 1.00 0.00 C ATOM 258 NZ LYS A 19 -24.634 -0.052 1.545 1.00 0.00 N ATOM 0 H LYS A 19 -20.453 2.646 0.542 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.244 1.115 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.367 3.031 -0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.365 2.277 -2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.949 0.151 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.363 0.516 -0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.270 2.176 0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.884 1.645 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -26.160 0.425 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -24.985 -0.733 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.356 -0.591 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -23.745 -0.592 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -24.475 0.861 2.018 1.00 0.00 H new ATOM 271 N LEU A 20 -18.900 2.920 -3.093 1.00 0.00 N ATOM 272 CA LEU A 20 -18.126 3.965 -3.835 1.00 0.00 C ATOM 273 C LEU A 20 -18.946 4.982 -4.699 1.00 0.00 C ATOM 274 O LEU A 20 -18.473 6.102 -4.905 1.00 0.00 O ATOM 275 CB LEU A 20 -17.075 3.253 -4.734 1.00 0.00 C ATOM 276 CG LEU A 20 -15.945 2.467 -4.019 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.237 1.553 -5.027 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.912 3.391 -3.348 1.00 0.00 C ATOM 0 H LEU A 20 -18.693 1.968 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.679 4.585 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.604 2.562 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.611 4.005 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.412 1.877 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.443 1.001 -4.523 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.956 0.850 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.808 2.157 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.145 2.787 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.450 4.028 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.409 4.012 -2.603 1.00 0.00 H new ATOM 290 N ASP A 21 -20.154 4.646 -5.193 1.00 0.00 N ATOM 291 CA ASP A 21 -20.959 5.568 -6.057 1.00 0.00 C ATOM 292 C ASP A 21 -21.732 6.682 -5.256 1.00 0.00 C ATOM 293 O ASP A 21 -22.950 6.833 -5.383 1.00 0.00 O ATOM 294 CB ASP A 21 -21.884 4.700 -6.958 1.00 0.00 C ATOM 295 CG ASP A 21 -21.174 3.856 -8.018 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.833 4.284 -9.115 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.961 2.575 -7.606 1.00 0.00 O ATOM 0 H ASP A 21 -20.603 3.748 -5.016 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.280 6.145 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.463 4.034 -6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.594 5.358 -7.459 1.00 0.00 H new ATOM 302 N GLY A 22 -21.011 7.469 -4.431 1.00 0.00 N ATOM 303 CA GLY A 22 -21.587 8.571 -3.602 1.00 0.00 C ATOM 304 C GLY A 22 -22.804 8.329 -2.664 1.00 0.00 C ATOM 305 O GLY A 22 -23.517 9.285 -2.359 1.00 0.00 O ATOM 0 H GLY A 22 -20.003 7.364 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.779 8.956 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.869 9.370 -4.288 1.00 0.00 H new ATOM 309 N ASN A 23 -23.035 7.088 -2.207 1.00 0.00 N ATOM 310 CA ASN A 23 -24.254 6.706 -1.440 1.00 0.00 C ATOM 311 C ASN A 23 -23.843 6.064 -0.082 1.00 0.00 C ATOM 312 O ASN A 23 -23.155 5.043 -0.035 1.00 0.00 O ATOM 313 CB ASN A 23 -25.117 5.732 -2.293 1.00 0.00 C ATOM 314 CG ASN A 23 -26.082 6.410 -3.271 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.227 6.695 -2.942 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.685 6.690 -4.487 1.00 0.00 N ATOM 0 H ASN A 23 -22.388 6.313 -2.354 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.851 7.592 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.451 5.079 -2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.692 5.096 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -26.326 7.138 -5.142 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.735 6.460 -4.779 1.00 0.00 H new ATOM 323 N ASP A 24 -24.281 6.663 1.033 1.00 0.00 N ATOM 324 CA ASP A 24 -24.063 6.107 2.399 1.00 0.00 C ATOM 325 C ASP A 24 -25.268 5.229 2.865 1.00 0.00 C ATOM 326 O ASP A 24 -26.430 5.626 2.737 1.00 0.00 O ATOM 327 CB ASP A 24 -23.686 7.242 3.388 1.00 0.00 C ATOM 328 CG ASP A 24 -24.512 8.529 3.409 1.00 0.00 C ATOM 329 OD1 ASP A 24 -24.078 9.426 2.472 1.00 0.00 O ATOM 330 OD2 ASP A 24 -25.440 8.727 4.185 1.00 0.00 O ATOM 0 H ASP A 24 -24.796 7.544 1.027 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.214 5.424 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.712 6.821 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -22.652 7.521 3.186 1.00 0.00 H new ATOM 335 N GLY A 25 -24.972 4.025 3.382 1.00 0.00 N ATOM 336 CA GLY A 25 -26.017 3.003 3.677 1.00 0.00 C ATOM 337 C GLY A 25 -25.758 2.214 4.967 1.00 0.00 C ATOM 338 O GLY A 25 -26.132 2.659 6.053 1.00 0.00 O ATOM 0 H GLY A 25 -24.023 3.726 3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.986 3.497 3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.078 2.306 2.841 1.00 0.00 H new ATOM 342 N VAL A 26 -25.104 1.051 4.845 1.00 0.00 N ATOM 343 CA VAL A 26 -24.579 0.289 6.030 1.00 0.00 C ATOM 344 C VAL A 26 -23.285 0.972 6.593 1.00 0.00 C ATOM 345 O VAL A 26 -23.270 1.356 7.764 1.00 0.00 O ATOM 346 CB VAL A 26 -24.384 -1.241 5.740 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.939 -2.054 6.981 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.631 -1.954 5.164 1.00 0.00 C ATOM 0 H VAL A 26 -24.917 0.603 3.948 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.341 0.330 6.809 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.596 -1.228 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.824 -3.103 6.707 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.988 -1.668 7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.692 -1.964 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.403 -3.006 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.457 -1.870 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.913 -1.488 4.220 1.00 0.00 H new ATOM 358 N GLY A 27 -22.230 1.137 5.773 1.00 0.00 N ATOM 359 CA GLY A 27 -21.133 2.088 6.069 1.00 0.00 C ATOM 360 C GLY A 27 -21.180 3.407 5.233 1.00 0.00 C ATOM 361 O GLY A 27 -21.777 3.424 4.147 1.00 0.00 O ATOM 0 H GLY A 27 -22.111 0.625 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.165 2.342 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.179 1.592 5.889 1.00 0.00 H new ATOM 365 N PRO A 28 -20.531 4.530 5.659 1.00 0.00 N ATOM 366 CA PRO A 28 -20.470 5.782 4.855 1.00 0.00 C ATOM 367 C PRO A 28 -19.535 5.705 3.604 1.00 0.00 C ATOM 368 O PRO A 28 -18.429 5.162 3.670 1.00 0.00 O ATOM 369 CB PRO A 28 -19.991 6.801 5.905 1.00 0.00 C ATOM 370 CG PRO A 28 -19.146 5.981 6.876 1.00 0.00 C ATOM 371 CD PRO A 28 -19.890 4.657 6.981 1.00 0.00 C ATOM 0 HA PRO A 28 -21.424 6.033 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.407 7.599 5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.832 7.273 6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.132 5.841 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.064 6.471 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.212 3.828 7.182 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.625 4.670 7.786 1.00 0.00 H new ATOM 379 N HIS A 29 -19.973 6.267 2.466 1.00 0.00 N ATOM 380 CA HIS A 29 -19.290 6.123 1.145 1.00 0.00 C ATOM 381 C HIS A 29 -17.750 6.417 1.108 1.00 0.00 C ATOM 382 O HIS A 29 -17.313 7.553 1.318 1.00 0.00 O ATOM 383 CB HIS A 29 -20.081 6.934 0.078 1.00 0.00 C ATOM 384 CG HIS A 29 -20.284 8.442 0.277 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.408 8.994 0.888 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.453 9.447 -0.247 1.00 0.00 C ATOM 387 CE1 HIS A 29 -21.143 10.322 0.655 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.994 10.692 0.007 1.00 0.00 N ATOM 0 H HIS A 29 -20.816 6.840 2.423 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.312 5.058 0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.577 6.795 -0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.068 6.480 -0.013 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.526 9.271 -0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.843 11.076 0.984 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.640 11.621 -0.222 1.00 0.00 H new ATOM 396 N LEU A 30 -16.926 5.383 0.851 1.00 0.00 N ATOM 397 CA LEU A 30 -15.430 5.521 0.850 1.00 0.00 C ATOM 398 C LEU A 30 -14.766 6.230 -0.382 1.00 0.00 C ATOM 399 O LEU A 30 -13.559 6.483 -0.354 1.00 0.00 O ATOM 400 CB LEU A 30 -14.776 4.137 1.134 1.00 0.00 C ATOM 401 CG LEU A 30 -15.027 3.527 2.537 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.544 2.072 2.602 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.381 4.310 3.693 1.00 0.00 C ATOM 0 H LEU A 30 -17.255 4.441 0.641 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.226 6.228 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.135 3.430 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.700 4.233 0.991 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.107 3.582 2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.733 1.670 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.080 1.477 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.475 2.034 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.606 3.815 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.301 4.345 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.778 5.325 3.712 1.00 0.00 H new ATOM 415 N ASN A 31 -15.541 6.636 -1.404 1.00 0.00 N ATOM 416 CA ASN A 31 -15.094 7.621 -2.420 1.00 0.00 C ATOM 417 C ASN A 31 -14.952 9.044 -1.776 1.00 0.00 C ATOM 418 O ASN A 31 -15.918 9.598 -1.235 1.00 0.00 O ATOM 419 CB ASN A 31 -16.112 7.553 -3.582 1.00 0.00 C ATOM 420 CG ASN A 31 -15.719 8.323 -4.842 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.615 8.197 -5.361 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.611 9.106 -5.398 1.00 0.00 N ATOM 0 H ASN A 31 -16.491 6.296 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.103 7.393 -2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.265 6.507 -3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.069 7.935 -3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.385 9.606 -6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.531 9.215 -4.971 1.00 0.00 H new ATOM 429 N GLY A 32 -13.721 9.573 -1.762 1.00 0.00 N ATOM 430 CA GLY A 32 -13.379 10.796 -0.981 1.00 0.00 C ATOM 431 C GLY A 32 -12.970 10.637 0.505 1.00 0.00 C ATOM 432 O GLY A 32 -13.128 11.603 1.250 1.00 0.00 O ATOM 0 H GLY A 32 -12.935 9.180 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.562 11.300 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.240 11.464 -1.018 1.00 0.00 H new ATOM 436 N VAL A 33 -12.453 9.478 0.956 1.00 0.00 N ATOM 437 CA VAL A 33 -12.081 9.253 2.394 1.00 0.00 C ATOM 438 C VAL A 33 -10.661 9.746 2.848 1.00 0.00 C ATOM 439 O VAL A 33 -10.529 10.160 4.003 1.00 0.00 O ATOM 440 CB VAL A 33 -12.400 7.777 2.814 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.450 6.715 2.219 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.458 7.581 4.349 1.00 0.00 C ATOM 0 H VAL A 33 -12.278 8.673 0.355 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.722 9.929 2.960 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.389 7.616 2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.748 5.725 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.501 6.750 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.429 6.919 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.683 6.538 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.496 7.848 4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.236 8.219 4.768 1.00 0.00 H new ATOM 452 N VAL A 34 -9.602 9.679 2.014 1.00 0.00 N ATOM 453 CA VAL A 34 -8.201 9.976 2.461 1.00 0.00 C ATOM 454 C VAL A 34 -8.022 11.519 2.681 1.00 0.00 C ATOM 455 O VAL A 34 -8.153 12.314 1.746 1.00 0.00 O ATOM 456 CB VAL A 34 -7.113 9.359 1.514 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.676 9.535 2.064 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.294 7.848 1.245 1.00 0.00 C ATOM 0 H VAL A 34 -9.677 9.424 1.029 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.042 9.482 3.420 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.252 9.915 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.964 9.090 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.457 10.597 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.594 9.042 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.502 7.499 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.245 7.302 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.262 7.675 0.775 1.00 0.00 H new ATOM 468 N GLY A 35 -7.780 11.924 3.940 1.00 0.00 N ATOM 469 CA GLY A 35 -7.936 13.346 4.365 1.00 0.00 C ATOM 470 C GLY A 35 -9.308 13.814 4.926 1.00 0.00 C ATOM 471 O GLY A 35 -9.380 14.935 5.431 1.00 0.00 O ATOM 0 H GLY A 35 -7.476 11.298 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.182 13.547 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.699 13.975 3.507 1.00 0.00 H new ATOM 475 N ARG A 36 -10.381 13.005 4.859 1.00 0.00 N ATOM 476 CA ARG A 36 -11.734 13.389 5.347 1.00 0.00 C ATOM 477 C ARG A 36 -11.882 13.165 6.884 1.00 0.00 C ATOM 478 O ARG A 36 -11.315 12.234 7.463 1.00 0.00 O ATOM 479 CB ARG A 36 -12.771 12.586 4.513 1.00 0.00 C ATOM 480 CG ARG A 36 -14.259 12.987 4.704 1.00 0.00 C ATOM 481 CD ARG A 36 -15.236 12.336 3.705 1.00 0.00 C ATOM 482 NE ARG A 36 -15.424 10.883 3.980 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.929 9.993 3.124 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.238 10.265 1.881 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.133 8.780 3.538 1.00 0.00 N ATOM 0 H ARG A 36 -10.343 12.064 4.466 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.905 14.456 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.520 12.693 3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.666 11.530 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.565 12.722 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.343 14.070 4.619 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.200 12.843 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.860 12.468 2.691 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.143 10.541 4.899 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.096 11.206 1.514 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.621 9.536 1.279 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.908 8.525 4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.518 8.082 2.902 1.00 0.00 H new ATOM 499 N THR A 37 -12.679 14.022 7.538 1.00 0.00 N ATOM 500 CA THR A 37 -12.856 14.015 9.019 1.00 0.00 C ATOM 501 C THR A 37 -13.454 12.686 9.595 1.00 0.00 C ATOM 502 O THR A 37 -14.290 12.022 8.969 1.00 0.00 O ATOM 503 CB THR A 37 -13.643 15.313 9.389 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.944 16.467 8.914 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.860 15.560 10.890 1.00 0.00 C ATOM 0 H THR A 37 -13.224 14.744 7.066 1.00 0.00 H new ATOM 0 HA THR A 37 -11.884 14.031 9.512 1.00 0.00 H new ATOM 0 HB THR A 37 -14.616 15.157 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.991 16.382 9.126 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.416 16.487 11.030 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.424 14.731 11.317 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.894 15.638 11.389 1.00 0.00 H new ATOM 513 N VAL A 38 -13.013 12.307 10.810 1.00 0.00 N ATOM 514 CA VAL A 38 -13.599 11.162 11.571 1.00 0.00 C ATOM 515 C VAL A 38 -15.043 11.556 12.047 1.00 0.00 C ATOM 516 O VAL A 38 -15.226 12.568 12.730 1.00 0.00 O ATOM 517 CB VAL A 38 -12.673 10.707 12.755 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.221 9.442 13.455 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.207 10.394 12.370 1.00 0.00 C ATOM 0 H VAL A 38 -12.248 12.774 11.297 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.673 10.293 10.917 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.677 11.578 13.410 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.553 9.158 14.268 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.213 9.649 13.856 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.283 8.626 12.735 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.654 10.090 13.259 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.188 9.588 11.637 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.745 11.284 11.943 1.00 0.00 H new ATOM 529 N ALA A 39 -16.060 10.796 11.598 1.00 0.00 N ATOM 530 CA ALA A 39 -17.477 11.269 11.539 1.00 0.00 C ATOM 531 C ALA A 39 -17.796 12.435 10.531 1.00 0.00 C ATOM 532 O ALA A 39 -18.577 13.343 10.829 1.00 0.00 O ATOM 533 CB ALA A 39 -18.076 11.448 12.951 1.00 0.00 C ATOM 0 H ALA A 39 -15.935 9.840 11.265 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.018 10.451 11.064 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.107 11.793 12.868 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.054 10.495 13.479 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.491 12.183 13.504 1.00 0.00 H new ATOM 539 N GLY A 40 -17.244 12.370 9.304 1.00 0.00 N ATOM 540 CA GLY A 40 -17.366 13.458 8.294 1.00 0.00 C ATOM 541 C GLY A 40 -18.121 13.096 6.999 1.00 0.00 C ATOM 542 O GLY A 40 -17.604 13.317 5.903 1.00 0.00 O ATOM 0 H GLY A 40 -16.702 11.569 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.870 14.305 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.364 13.792 8.026 1.00 0.00 H new ATOM 546 N VAL A 41 -19.356 12.593 7.130 1.00 0.00 N ATOM 547 CA VAL A 41 -20.323 12.481 5.992 1.00 0.00 C ATOM 548 C VAL A 41 -21.695 13.031 6.497 1.00 0.00 C ATOM 549 O VAL A 41 -22.340 12.428 7.362 1.00 0.00 O ATOM 550 CB VAL A 41 -20.424 11.029 5.393 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.516 10.870 4.307 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.102 10.556 4.746 1.00 0.00 C ATOM 0 H VAL A 41 -19.726 12.250 8.016 1.00 0.00 H new ATOM 0 HA VAL A 41 -19.967 13.075 5.150 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.676 10.424 6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.522 9.842 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.490 11.110 4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.306 11.546 3.478 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.231 9.549 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.831 11.233 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.311 10.553 5.496 1.00 0.00 H new ATOM 562 N ASP A 42 -22.170 14.144 5.904 1.00 0.00 N ATOM 563 CA ASP A 42 -23.560 14.639 6.125 1.00 0.00 C ATOM 564 C ASP A 42 -24.614 13.731 5.403 1.00 0.00 C ATOM 565 O ASP A 42 -24.548 13.529 4.187 1.00 0.00 O ATOM 566 CB ASP A 42 -23.662 16.150 5.776 1.00 0.00 C ATOM 567 CG ASP A 42 -23.352 16.582 4.337 1.00 0.00 C ATOM 568 OD1 ASP A 42 -24.196 16.631 3.448 1.00 0.00 O ATOM 569 OD2 ASP A 42 -22.035 16.908 4.172 1.00 0.00 O ATOM 0 H ASP A 42 -21.620 14.722 5.268 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.806 14.561 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -24.674 16.479 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -22.988 16.692 6.439 1.00 0.00 H new ATOM 574 N GLY A 43 -25.524 13.123 6.181 1.00 0.00 N ATOM 575 CA GLY A 43 -26.328 11.960 5.708 1.00 0.00 C ATOM 576 C GLY A 43 -26.294 10.728 6.637 1.00 0.00 C ATOM 577 O GLY A 43 -27.352 10.205 6.992 1.00 0.00 O ATOM 0 H GLY A 43 -25.729 13.408 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.364 12.278 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.968 11.664 4.723 1.00 0.00 H new ATOM 581 N PHE A 44 -25.093 10.241 7.000 1.00 0.00 N ATOM 582 CA PHE A 44 -24.940 8.988 7.785 1.00 0.00 C ATOM 583 C PHE A 44 -25.112 9.208 9.327 1.00 0.00 C ATOM 584 O PHE A 44 -24.524 10.119 9.921 1.00 0.00 O ATOM 585 CB PHE A 44 -23.563 8.365 7.411 1.00 0.00 C ATOM 586 CG PHE A 44 -23.348 6.939 7.953 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.901 5.837 7.293 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.690 6.747 9.172 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.807 4.566 7.853 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.611 5.478 9.738 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.170 4.388 9.078 1.00 0.00 C ATOM 0 H PHE A 44 -24.209 10.692 6.765 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.740 8.294 7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.467 8.347 6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.770 9.009 7.790 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.402 5.972 6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.240 7.589 9.677 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.229 3.717 7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.117 5.339 10.688 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.110 3.403 9.517 1.00 0.00 H new ATOM 601 N ASN A 45 -25.867 8.305 9.981 1.00 0.00 N ATOM 602 CA ASN A 45 -26.005 8.285 11.462 1.00 0.00 C ATOM 603 C ASN A 45 -24.757 7.633 12.150 1.00 0.00 C ATOM 604 O ASN A 45 -24.685 6.413 12.328 1.00 0.00 O ATOM 605 CB ASN A 45 -27.342 7.559 11.773 1.00 0.00 C ATOM 606 CG ASN A 45 -27.801 7.650 13.222 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.427 8.612 13.650 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.514 6.664 14.026 1.00 0.00 N ATOM 0 H ASN A 45 -26.397 7.572 9.509 1.00 0.00 H new ATOM 0 HA ASN A 45 -26.038 9.293 11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.121 7.975 11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.238 6.507 11.506 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.810 6.698 15.001 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -26.993 5.858 13.679 1.00 0.00 H new ATOM 615 N TYR A 46 -23.783 8.466 12.549 1.00 0.00 N ATOM 616 CA TYR A 46 -22.542 7.996 13.219 1.00 0.00 C ATOM 617 C TYR A 46 -22.735 7.629 14.726 1.00 0.00 C ATOM 618 O TYR A 46 -23.531 8.240 15.447 1.00 0.00 O ATOM 619 CB TYR A 46 -21.431 9.074 13.043 1.00 0.00 C ATOM 620 CG TYR A 46 -20.789 9.124 11.647 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.780 8.214 11.313 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.199 10.069 10.702 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.194 8.246 10.052 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.604 10.105 9.443 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.595 9.200 9.121 1.00 0.00 C ATOM 626 OH TYR A 46 -18.948 9.293 7.919 1.00 0.00 O ATOM 0 H TYR A 46 -23.824 9.477 12.422 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.247 7.064 12.736 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.857 10.052 13.266 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.649 8.891 13.780 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.454 7.483 12.038 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.980 10.773 10.949 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.427 7.530 9.795 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.925 10.836 8.715 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.235 8.622 7.879 1.00 0.00 H new ATOM 636 N SER A 47 -21.944 6.654 15.216 1.00 0.00 N ATOM 637 CA SER A 47 -21.877 6.330 16.669 1.00 0.00 C ATOM 638 C SER A 47 -21.232 7.462 17.530 1.00 0.00 C ATOM 639 O SER A 47 -20.329 8.174 17.073 1.00 0.00 O ATOM 640 CB SER A 47 -21.132 4.984 16.859 1.00 0.00 C ATOM 641 OG SER A 47 -19.723 5.099 16.634 1.00 0.00 O ATOM 0 H SER A 47 -21.340 6.073 14.634 1.00 0.00 H new ATOM 0 HA SER A 47 -22.901 6.241 17.032 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.306 4.616 17.870 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.546 4.244 16.175 1.00 0.00 H new ATOM 0 HG SER A 47 -19.485 4.632 15.806 1.00 0.00 H new ATOM 647 N ASP A 48 -21.671 7.603 18.795 1.00 0.00 N ATOM 648 CA ASP A 48 -21.119 8.631 19.729 1.00 0.00 C ATOM 649 C ASP A 48 -19.554 8.610 19.927 1.00 0.00 C ATOM 650 O ASP A 48 -18.976 9.695 19.810 1.00 0.00 O ATOM 651 CB ASP A 48 -21.888 8.669 21.078 1.00 0.00 C ATOM 652 CG ASP A 48 -23.420 8.761 21.048 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.891 9.888 20.433 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.138 7.892 21.533 1.00 0.00 O ATOM 0 H ASP A 48 -22.405 7.024 19.203 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.297 9.575 19.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.621 7.772 21.637 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.516 9.521 21.647 1.00 0.00 H new ATOM 659 N PRO A 49 -18.817 7.474 20.133 1.00 0.00 N ATOM 660 CA PRO A 49 -17.326 7.452 20.079 1.00 0.00 C ATOM 661 C PRO A 49 -16.616 7.799 18.734 1.00 0.00 C ATOM 662 O PRO A 49 -15.529 8.376 18.776 1.00 0.00 O ATOM 663 CB PRO A 49 -16.991 6.035 20.584 1.00 0.00 C ATOM 664 CG PRO A 49 -18.246 5.569 21.324 1.00 0.00 C ATOM 665 CD PRO A 49 -19.385 6.165 20.505 1.00 0.00 C ATOM 0 HA PRO A 49 -16.933 8.273 20.679 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.751 5.368 19.756 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.125 6.047 21.245 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.307 4.481 21.365 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.261 5.928 22.353 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.626 5.558 19.632 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.302 6.265 21.086 1.00 0.00 H new ATOM 673 N MET A 50 -17.209 7.498 17.561 1.00 0.00 N ATOM 674 CA MET A 50 -16.763 8.093 16.262 1.00 0.00 C ATOM 675 C MET A 50 -16.987 9.641 16.140 1.00 0.00 C ATOM 676 O MET A 50 -16.085 10.344 15.677 1.00 0.00 O ATOM 677 CB MET A 50 -17.372 7.260 15.099 1.00 0.00 C ATOM 678 CG MET A 50 -16.819 7.606 13.696 1.00 0.00 C ATOM 679 SD MET A 50 -16.983 6.231 12.542 1.00 0.00 S ATOM 680 CE MET A 50 -15.524 5.256 12.946 1.00 0.00 C ATOM 0 H MET A 50 -17.994 6.852 17.475 1.00 0.00 H new ATOM 0 HA MET A 50 -15.677 8.023 16.207 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.192 6.203 15.295 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.452 7.404 15.094 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.348 8.474 13.302 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.769 7.885 13.780 1.00 0.00 H new ATOM 0 HE1 MET A 50 -15.462 4.399 12.275 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.632 5.872 12.832 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.594 4.906 13.976 1.00 0.00 H new ATOM 690 N LYS A 51 -18.138 10.176 16.594 1.00 0.00 N ATOM 691 CA LYS A 51 -18.353 11.649 16.740 1.00 0.00 C ATOM 692 C LYS A 51 -17.387 12.357 17.753 1.00 0.00 C ATOM 693 O LYS A 51 -16.776 13.368 17.400 1.00 0.00 O ATOM 694 CB LYS A 51 -19.841 11.933 17.085 1.00 0.00 C ATOM 695 CG LYS A 51 -20.885 11.534 16.013 1.00 0.00 C ATOM 696 CD LYS A 51 -22.340 11.972 16.301 1.00 0.00 C ATOM 697 CE LYS A 51 -23.044 11.284 17.488 1.00 0.00 C ATOM 698 NZ LYS A 51 -22.715 11.935 18.773 1.00 0.00 N ATOM 0 H LYS A 51 -18.944 9.615 16.870 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.104 12.089 15.774 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.083 11.409 18.009 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.948 12.999 17.286 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.579 11.960 15.057 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.867 10.450 15.900 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.344 13.047 16.479 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.933 11.796 15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.123 11.308 17.334 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.751 10.235 17.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.697 11.221 19.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.782 12.389 18.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.434 12.653 18.992 1.00 0.00 H new ATOM 711 N ALA A 52 -17.219 11.825 18.980 1.00 0.00 N ATOM 712 CA ALA A 52 -16.232 12.343 19.967 1.00 0.00 C ATOM 713 C ALA A 52 -14.733 11.882 19.824 1.00 0.00 C ATOM 714 O ALA A 52 -13.970 12.004 20.787 1.00 0.00 O ATOM 715 CB ALA A 52 -16.839 11.964 21.335 1.00 0.00 C ATOM 0 H ALA A 52 -17.757 11.028 19.320 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.106 13.414 19.807 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.180 12.306 22.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.815 12.437 21.443 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.951 10.882 21.396 1.00 0.00 H new ATOM 721 N HIS A 53 -14.275 11.422 18.640 1.00 0.00 N ATOM 722 CA HIS A 53 -12.854 11.029 18.411 1.00 0.00 C ATOM 723 C HIS A 53 -11.901 12.248 18.158 1.00 0.00 C ATOM 724 O HIS A 53 -10.950 12.437 18.920 1.00 0.00 O ATOM 725 CB HIS A 53 -12.832 9.949 17.291 1.00 0.00 C ATOM 726 CG HIS A 53 -11.509 9.196 17.152 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.556 9.483 16.185 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.104 8.107 17.944 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.635 8.515 16.491 1.00 0.00 C ATOM 730 NE2 HIS A 53 -9.875 7.638 17.518 1.00 0.00 N ATOM 0 H HIS A 53 -14.868 11.311 17.818 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.441 10.595 19.321 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.626 9.228 17.486 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.063 10.428 16.339 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.671 7.696 18.766 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.719 8.443 15.923 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.310 6.864 17.867 1.00 0.00 H new ATOM 738 N GLY A 54 -12.139 13.054 17.103 1.00 0.00 N ATOM 739 CA GLY A 54 -11.282 14.226 16.777 1.00 0.00 C ATOM 740 C GLY A 54 -10.071 13.906 15.881 1.00 0.00 C ATOM 741 O GLY A 54 -8.986 13.589 16.373 1.00 0.00 O ATOM 0 H GLY A 54 -12.917 12.919 16.458 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.894 14.980 16.282 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.923 14.667 17.707 1.00 0.00 H new ATOM 745 N GLY A 55 -10.262 14.026 14.566 1.00 0.00 N ATOM 746 CA GLY A 55 -9.181 13.775 13.583 1.00 0.00 C ATOM 747 C GLY A 55 -9.621 13.761 12.103 1.00 0.00 C ATOM 748 O GLY A 55 -10.787 13.976 11.757 1.00 0.00 O ATOM 0 H GLY A 55 -11.152 14.295 14.147 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.414 14.539 13.709 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.717 12.816 13.816 1.00 0.00 H new ATOM 752 N ASP A 56 -8.652 13.468 11.225 1.00 0.00 N ATOM 753 CA ASP A 56 -8.901 13.247 9.768 1.00 0.00 C ATOM 754 C ASP A 56 -8.223 11.923 9.292 1.00 0.00 C ATOM 755 O ASP A 56 -7.200 11.487 9.836 1.00 0.00 O ATOM 756 CB ASP A 56 -8.413 14.460 8.928 1.00 0.00 C ATOM 757 CG ASP A 56 -9.133 15.790 9.179 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.317 15.999 8.923 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.309 16.724 9.729 1.00 0.00 O ATOM 0 H ASP A 56 -7.671 13.375 11.490 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.976 13.152 9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.350 14.604 9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.515 14.209 7.872 1.00 0.00 H new ATOM 764 N TRP A 57 -8.788 11.277 8.255 1.00 0.00 N ATOM 765 CA TRP A 57 -8.364 9.911 7.837 1.00 0.00 C ATOM 766 C TRP A 57 -7.095 9.902 6.927 1.00 0.00 C ATOM 767 O TRP A 57 -7.151 9.755 5.704 1.00 0.00 O ATOM 768 CB TRP A 57 -9.579 9.153 7.230 1.00 0.00 C ATOM 769 CG TRP A 57 -10.578 8.576 8.248 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.930 8.958 8.383 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.355 7.647 9.261 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.561 8.269 9.433 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.568 7.481 9.974 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.166 7.017 9.722 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.598 6.720 11.164 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.218 6.281 10.904 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.412 6.148 11.621 1.00 0.00 C ATOM 0 H TRP A 57 -9.538 11.671 7.687 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.040 9.368 8.725 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -10.115 9.833 6.568 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.204 8.336 6.613 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.419 9.689 7.757 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.535 8.337 9.728 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.243 7.107 9.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.521 6.584 11.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.321 5.805 11.273 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.415 5.591 12.546 1.00 0.00 H new ATOM 788 N THR A 58 -5.935 10.022 7.580 1.00 0.00 N ATOM 789 CA THR A 58 -4.591 9.917 6.941 1.00 0.00 C ATOM 790 C THR A 58 -4.151 8.425 6.681 1.00 0.00 C ATOM 791 O THR A 58 -4.674 7.526 7.353 1.00 0.00 O ATOM 792 CB THR A 58 -3.556 10.677 7.839 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.504 10.139 9.157 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.799 12.192 7.972 1.00 0.00 C ATOM 0 H THR A 58 -5.887 10.198 8.584 1.00 0.00 H new ATOM 0 HA THR A 58 -4.637 10.378 5.954 1.00 0.00 H new ATOM 0 HB THR A 58 -2.614 10.531 7.311 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.847 10.636 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.032 12.629 8.612 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.756 12.655 6.986 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.781 12.366 8.412 1.00 0.00 H new ATOM 802 N PRO A 59 -3.185 8.085 5.768 1.00 0.00 N ATOM 803 CA PRO A 59 -2.690 6.681 5.587 1.00 0.00 C ATOM 804 C PRO A 59 -2.231 5.886 6.853 1.00 0.00 C ATOM 805 O PRO A 59 -2.657 4.748 7.063 1.00 0.00 O ATOM 806 CB PRO A 59 -1.575 6.854 4.533 1.00 0.00 C ATOM 807 CG PRO A 59 -1.215 8.340 4.517 1.00 0.00 C ATOM 808 CD PRO A 59 -2.523 9.048 4.862 1.00 0.00 C ATOM 0 HA PRO A 59 -3.514 6.032 5.289 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.705 6.247 4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.916 6.528 3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.435 8.568 5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.841 8.648 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.348 10.007 5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.123 9.246 3.974 1.00 0.00 H new ATOM 816 N GLU A 60 -1.417 6.522 7.709 1.00 0.00 N ATOM 817 CA GLU A 60 -1.106 6.026 9.082 1.00 0.00 C ATOM 818 C GLU A 60 -2.347 5.769 10.012 1.00 0.00 C ATOM 819 O GLU A 60 -2.498 4.652 10.514 1.00 0.00 O ATOM 820 CB GLU A 60 -0.039 6.978 9.695 1.00 0.00 C ATOM 821 CG GLU A 60 0.572 6.541 11.052 1.00 0.00 C ATOM 822 CD GLU A 60 1.361 5.232 11.024 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.848 4.124 11.142 1.00 0.00 O ATOM 824 OE2 GLU A 60 2.696 5.433 10.843 1.00 0.00 O ATOM 0 H GLU A 60 -0.948 7.398 7.479 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.703 5.017 8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.772 7.092 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.491 7.961 9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.229 7.334 11.408 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.234 6.445 11.780 1.00 0.00 H new ATOM 831 N ALA A 61 -3.249 6.756 10.201 1.00 0.00 N ATOM 832 CA ALA A 61 -4.544 6.541 10.910 1.00 0.00 C ATOM 833 C ALA A 61 -5.487 5.440 10.314 1.00 0.00 C ATOM 834 O ALA A 61 -5.982 4.596 11.067 1.00 0.00 O ATOM 835 CB ALA A 61 -5.242 7.912 11.005 1.00 0.00 C ATOM 0 H ALA A 61 -3.111 7.713 9.875 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.313 6.131 11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.197 7.799 11.519 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.610 8.604 11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.414 8.303 10.002 1.00 0.00 H new ATOM 841 N LEU A 62 -5.688 5.408 8.980 1.00 0.00 N ATOM 842 CA LEU A 62 -6.362 4.281 8.275 1.00 0.00 C ATOM 843 C LEU A 62 -5.695 2.879 8.470 1.00 0.00 C ATOM 844 O LEU A 62 -6.415 1.944 8.819 1.00 0.00 O ATOM 845 CB LEU A 62 -6.510 4.627 6.762 1.00 0.00 C ATOM 846 CG LEU A 62 -7.551 5.714 6.383 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.320 6.210 4.946 1.00 0.00 C ATOM 848 CD2 LEU A 62 -8.998 5.200 6.515 1.00 0.00 C ATOM 0 H LEU A 62 -5.391 6.158 8.356 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.342 4.178 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.536 4.948 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.768 3.712 6.229 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.414 6.538 7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.060 6.971 4.700 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.320 6.636 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.416 5.374 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.693 5.994 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.142 4.346 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.184 4.896 7.545 1.00 0.00 H new ATOM 860 N GLN A 63 -4.366 2.699 8.295 1.00 0.00 N ATOM 861 CA GLN A 63 -3.694 1.390 8.576 1.00 0.00 C ATOM 862 C GLN A 63 -3.751 0.892 10.067 1.00 0.00 C ATOM 863 O GLN A 63 -3.954 -0.302 10.312 1.00 0.00 O ATOM 864 CB GLN A 63 -2.291 1.348 7.895 1.00 0.00 C ATOM 865 CG GLN A 63 -1.061 1.866 8.689 1.00 0.00 C ATOM 866 CD GLN A 63 -0.425 0.869 9.675 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.523 -0.350 9.550 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.265 1.342 10.681 1.00 0.00 N ATOM 0 H GLN A 63 -3.735 3.429 7.964 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.299 0.616 8.103 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.091 0.314 7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.354 1.923 6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.298 2.178 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.360 2.755 9.244 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.360 2.350 10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.708 0.703 11.341 1.00 0.00 H new ATOM 877 N GLU A 64 -3.628 1.801 11.053 1.00 0.00 N ATOM 878 CA GLU A 64 -3.948 1.516 12.482 1.00 0.00 C ATOM 879 C GLU A 64 -5.442 1.108 12.729 1.00 0.00 C ATOM 880 O GLU A 64 -5.690 0.026 13.269 1.00 0.00 O ATOM 881 CB GLU A 64 -3.520 2.737 13.345 1.00 0.00 C ATOM 882 CG GLU A 64 -1.997 3.019 13.413 1.00 0.00 C ATOM 883 CD GLU A 64 -1.655 4.294 14.180 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.718 5.421 13.699 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.276 4.041 15.463 1.00 0.00 O ATOM 0 H GLU A 64 -3.305 2.755 10.891 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.379 0.636 12.784 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.017 3.625 12.955 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.887 2.586 14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.498 2.173 13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.603 3.095 12.400 1.00 0.00 H new ATOM 892 N PHE A 65 -6.429 1.927 12.308 1.00 0.00 N ATOM 893 CA PHE A 65 -7.873 1.565 12.343 1.00 0.00 C ATOM 894 C PHE A 65 -8.272 0.260 11.580 1.00 0.00 C ATOM 895 O PHE A 65 -8.998 -0.559 12.135 1.00 0.00 O ATOM 896 CB PHE A 65 -8.634 2.823 11.847 1.00 0.00 C ATOM 897 CG PHE A 65 -10.169 2.729 11.885 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.866 2.863 13.091 1.00 0.00 C ATOM 899 CD2 PHE A 65 -10.881 2.496 10.704 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.256 2.768 13.113 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.269 2.398 10.734 1.00 0.00 C ATOM 902 CZ PHE A 65 -12.957 2.538 11.933 1.00 0.00 C ATOM 0 H PHE A 65 -6.253 2.859 11.933 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.148 1.296 13.363 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.325 3.675 12.453 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.326 3.032 10.822 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.324 3.041 14.008 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.353 2.392 9.768 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.790 2.873 14.046 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.814 2.212 9.820 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.035 2.468 11.949 1.00 0.00 H new ATOM 912 N LEU A 66 -7.797 0.028 10.348 1.00 0.00 N ATOM 913 CA LEU A 66 -8.004 -1.273 9.645 1.00 0.00 C ATOM 914 C LEU A 66 -7.172 -2.489 10.185 1.00 0.00 C ATOM 915 O LEU A 66 -7.470 -3.620 9.802 1.00 0.00 O ATOM 916 CB LEU A 66 -7.792 -1.059 8.119 1.00 0.00 C ATOM 917 CG LEU A 66 -8.686 -0.003 7.409 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.244 0.167 5.947 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.185 -0.339 7.482 1.00 0.00 C ATOM 0 H LEU A 66 -7.267 0.713 9.809 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.031 -1.571 9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.751 -0.779 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.944 -2.017 7.621 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.552 0.937 7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.877 0.909 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.206 0.499 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.335 -0.786 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.757 0.434 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.366 -1.301 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.496 -0.389 8.525 1.00 0.00 H new ATOM 931 N THR A 67 -6.196 -2.307 11.100 1.00 0.00 N ATOM 932 CA THR A 67 -5.653 -3.416 11.944 1.00 0.00 C ATOM 933 C THR A 67 -6.689 -3.906 13.020 1.00 0.00 C ATOM 934 O THR A 67 -7.009 -5.096 13.036 1.00 0.00 O ATOM 935 CB THR A 67 -4.272 -3.017 12.558 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.385 -2.492 11.574 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.520 -4.204 13.183 1.00 0.00 C ATOM 0 H THR A 67 -5.761 -1.402 11.280 1.00 0.00 H new ATOM 0 HA THR A 67 -5.479 -4.277 11.299 1.00 0.00 H new ATOM 0 HB THR A 67 -4.528 -2.278 13.317 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.745 -1.650 11.226 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.570 -3.859 13.591 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.122 -4.636 13.982 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.334 -4.960 12.420 1.00 0.00 H new ATOM 945 N ASN A 68 -7.217 -3.018 13.893 1.00 0.00 N ATOM 946 CA ASN A 68 -8.377 -3.338 14.774 1.00 0.00 C ATOM 947 C ASN A 68 -9.276 -2.053 14.929 1.00 0.00 C ATOM 948 O ASN A 68 -8.873 -1.144 15.671 1.00 0.00 O ATOM 949 CB ASN A 68 -7.882 -3.916 16.129 1.00 0.00 C ATOM 950 CG ASN A 68 -8.984 -4.466 17.054 1.00 0.00 C ATOM 951 OD1 ASN A 68 -10.100 -3.964 17.141 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.704 -5.501 17.807 1.00 0.00 N ATOM 0 H ASN A 68 -6.861 -2.070 14.011 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.997 -4.114 14.326 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.170 -4.715 15.925 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.340 -3.135 16.662 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.407 -5.871 18.447 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.783 -5.937 17.753 1.00 0.00 H new ATOM 959 N PRO A 69 -10.486 -1.927 14.302 1.00 0.00 N ATOM 960 CA PRO A 69 -11.294 -0.676 14.381 1.00 0.00 C ATOM 961 C PRO A 69 -11.974 -0.351 15.746 1.00 0.00 C ATOM 962 O PRO A 69 -11.965 0.812 16.161 1.00 0.00 O ATOM 963 CB PRO A 69 -12.259 -0.794 13.186 1.00 0.00 C ATOM 964 CG PRO A 69 -12.280 -2.264 12.772 1.00 0.00 C ATOM 965 CD PRO A 69 -10.981 -2.880 13.287 1.00 0.00 C ATOM 0 HA PRO A 69 -10.649 0.200 14.323 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.258 -0.457 13.462 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.928 -0.165 12.359 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.145 -2.774 13.196 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.352 -2.361 11.689 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.155 -3.865 13.721 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.259 -3.010 12.481 1.00 0.00 H new ATOM 973 N LYS A 70 -12.509 -1.363 16.453 1.00 0.00 N ATOM 974 CA LYS A 70 -12.983 -1.215 17.863 1.00 0.00 C ATOM 975 C LYS A 70 -11.896 -1.002 18.975 1.00 0.00 C ATOM 976 O LYS A 70 -12.245 -0.539 20.063 1.00 0.00 O ATOM 977 CB LYS A 70 -13.939 -2.395 18.196 1.00 0.00 C ATOM 978 CG LYS A 70 -15.303 -2.369 17.462 1.00 0.00 C ATOM 979 CD LYS A 70 -16.191 -3.577 17.815 1.00 0.00 C ATOM 980 CE LYS A 70 -17.559 -3.512 17.119 1.00 0.00 C ATOM 981 NZ LYS A 70 -18.368 -4.695 17.470 1.00 0.00 N ATOM 0 H LYS A 70 -12.629 -2.304 16.077 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.506 -0.259 17.890 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.433 -3.330 17.955 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.123 -2.400 19.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.830 -1.449 17.716 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.132 -2.351 16.386 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.682 -4.497 17.527 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.336 -3.617 18.895 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.083 -2.603 17.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.423 -3.463 16.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.290 -4.639 16.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.873 -5.557 17.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.512 -4.724 18.500 1.00 0.00 H new ATOM 994 N ALA A 71 -10.605 -1.272 18.717 1.00 0.00 N ATOM 995 CA ALA A 71 -9.488 -0.737 19.543 1.00 0.00 C ATOM 996 C ALA A 71 -9.138 0.769 19.287 1.00 0.00 C ATOM 997 O ALA A 71 -9.009 1.526 20.253 1.00 0.00 O ATOM 998 CB ALA A 71 -8.277 -1.665 19.337 1.00 0.00 C ATOM 0 H ALA A 71 -10.299 -1.859 17.941 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.806 -0.736 20.586 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.436 -1.303 19.929 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.535 -2.676 19.653 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.001 -1.674 18.283 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.983 1.214 18.020 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.660 2.642 17.683 1.00 0.00 C ATOM 1006 C VAL A 72 -9.848 3.631 17.948 1.00 0.00 C ATOM 1007 O VAL A 72 -9.644 4.639 18.633 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.045 2.739 16.240 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.806 4.184 15.733 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.692 2.000 16.117 1.00 0.00 C ATOM 0 H VAL A 72 -9.074 0.611 17.202 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.892 2.983 18.377 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.811 2.267 15.625 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.380 4.152 14.730 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.754 4.722 15.708 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.116 4.696 16.404 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.314 2.100 15.100 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.976 2.434 16.815 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.832 0.944 16.350 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.060 3.376 17.416 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.283 4.138 17.812 1.00 0.00 C ATOM 1022 C VAL A 73 -13.058 3.227 18.821 1.00 0.00 C ATOM 1023 O VAL A 73 -13.790 2.312 18.424 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.126 4.581 16.569 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.372 5.398 16.978 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.360 5.440 15.533 1.00 0.00 C ATOM 0 H VAL A 73 -11.228 2.655 16.715 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.032 5.082 18.295 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.395 3.631 16.107 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.928 5.685 16.085 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.009 4.792 17.623 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.060 6.294 17.515 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.026 5.697 14.710 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.003 6.353 16.010 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.510 4.875 15.149 1.00 0.00 H new ATOM 1036 N LYS A 74 -12.874 3.473 20.133 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.373 2.562 21.199 1.00 0.00 C ATOM 1038 C LYS A 74 -14.921 2.664 21.398 1.00 0.00 C ATOM 1039 O LYS A 74 -15.434 3.618 21.988 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.536 2.835 22.478 1.00 0.00 C ATOM 1041 CG LYS A 74 -12.728 1.789 23.600 1.00 0.00 C ATOM 1042 CD LYS A 74 -11.830 2.061 24.826 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.015 1.065 25.986 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.465 -0.271 25.667 1.00 0.00 N ATOM 0 H LYS A 74 -12.384 4.294 20.487 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.232 1.520 20.912 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.481 2.870 22.207 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.798 3.819 22.866 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.772 1.785 23.913 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.509 0.796 23.207 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.787 2.040 24.509 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.032 3.068 25.192 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.525 1.454 26.879 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.076 0.973 26.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.611 -0.909 26.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.949 -0.655 24.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.447 -0.189 25.470 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.649 1.675 20.855 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.128 1.760 20.687 1.00 0.00 C ATOM 1059 C GLY A 75 -17.681 2.270 19.329 1.00 0.00 C ATOM 1060 O GLY A 75 -18.779 2.830 19.303 1.00 0.00 O ATOM 0 H GLY A 75 -15.245 0.800 20.521 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.541 0.767 20.864 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.516 2.411 21.471 1.00 0.00 H new ATOM 1064 N THR A 76 -16.988 2.016 18.205 1.00 0.00 N ATOM 1065 CA THR A 76 -17.559 2.185 16.834 1.00 0.00 C ATOM 1066 C THR A 76 -18.613 1.087 16.468 1.00 0.00 C ATOM 1067 O THR A 76 -18.429 -0.092 16.786 1.00 0.00 O ATOM 1068 CB THR A 76 -16.401 2.274 15.787 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.922 2.570 14.501 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.508 1.036 15.591 1.00 0.00 C ATOM 0 H THR A 76 -16.022 1.689 18.208 1.00 0.00 H new ATOM 0 HA THR A 76 -18.115 3.122 16.817 1.00 0.00 H new ATOM 0 HB THR A 76 -15.772 3.052 16.221 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.187 2.625 13.855 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.752 1.249 14.835 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.019 0.787 16.533 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.119 0.194 15.266 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.682 1.449 15.727 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.615 0.433 15.133 1.00 0.00 C ATOM 1080 C LYS A 77 -20.116 -0.363 13.866 1.00 0.00 C ATOM 1081 O LYS A 77 -20.903 -1.094 13.258 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.029 1.061 14.956 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.223 2.091 13.814 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.687 2.509 13.564 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.226 3.503 14.603 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.669 3.732 14.395 1.00 0.00 N ATOM 0 H LYS A 77 -19.929 2.417 15.521 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.657 -0.374 15.865 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.739 0.249 14.799 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.300 1.545 15.894 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.639 2.982 14.044 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.817 1.673 12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.765 2.954 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -24.316 1.619 13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.054 3.118 15.608 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.687 4.447 14.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.019 4.406 15.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.825 4.120 13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -26.181 2.832 14.491 1.00 0.00 H new ATOM 1099 N MET A 78 -18.825 -0.274 13.484 1.00 0.00 N ATOM 1100 CA MET A 78 -18.244 -1.077 12.381 1.00 0.00 C ATOM 1101 C MET A 78 -17.941 -2.543 12.830 1.00 0.00 C ATOM 1102 O MET A 78 -16.977 -2.804 13.560 1.00 0.00 O ATOM 1103 CB MET A 78 -16.999 -0.328 11.831 1.00 0.00 C ATOM 1104 CG MET A 78 -16.363 -1.040 10.623 1.00 0.00 C ATOM 1105 SD MET A 78 -15.604 0.147 9.451 1.00 0.00 S ATOM 1106 CE MET A 78 -13.904 -0.512 9.581 1.00 0.00 C ATOM 0 H MET A 78 -18.155 0.354 13.928 1.00 0.00 H new ATOM 0 HA MET A 78 -18.966 -1.179 11.571 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.287 0.683 11.542 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.257 -0.234 12.624 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.604 -1.740 10.973 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.123 -1.625 10.105 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.240 0.066 8.938 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.563 -0.439 10.614 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.894 -1.556 9.268 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.741 -3.503 12.333 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.500 -4.950 12.563 1.00 0.00 C ATOM 1118 C ALA A 79 -17.414 -5.534 11.598 1.00 0.00 C ATOM 1119 O ALA A 79 -17.707 -6.170 10.580 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.874 -5.642 12.466 1.00 0.00 C ATOM 0 H ALA A 79 -19.566 -3.307 11.766 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.074 -5.131 13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.754 -6.713 12.628 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.542 -5.233 13.224 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.299 -5.470 11.477 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.141 -5.285 11.945 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.971 -5.694 11.128 1.00 0.00 C ATOM 1128 C PHE A 80 -13.801 -6.078 12.086 1.00 0.00 C ATOM 1129 O PHE A 80 -13.409 -5.295 12.957 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.604 -4.532 10.156 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.578 -4.902 9.074 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.980 -5.663 7.973 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.236 -4.521 9.191 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -13.054 -6.053 7.012 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.310 -4.911 8.227 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.716 -5.689 7.145 1.00 0.00 C ATOM 0 H PHE A 80 -15.886 -4.793 12.801 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.194 -6.569 10.517 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.514 -4.182 9.670 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.213 -3.698 10.739 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -15.016 -5.950 7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.918 -3.923 10.032 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.372 -6.638 6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.277 -4.610 8.318 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.993 -6.010 6.409 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.219 -7.276 11.904 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.047 -7.724 12.705 1.00 0.00 C ATOM 1148 C ALA A 81 -10.703 -7.023 12.320 1.00 0.00 C ATOM 1149 O ALA A 81 -10.108 -6.351 13.167 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.002 -9.264 12.628 1.00 0.00 C ATOM 0 H ALA A 81 -13.534 -7.956 11.213 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.173 -7.414 13.742 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.154 -9.632 13.205 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.925 -9.676 13.037 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.896 -9.573 11.588 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.239 -7.160 11.064 1.00 0.00 N ATOM 1157 CA GLY A 82 -9.000 -6.488 10.607 1.00 0.00 C ATOM 1158 C GLY A 82 -8.428 -6.971 9.256 1.00 0.00 C ATOM 1159 O GLY A 82 -8.732 -8.053 8.746 1.00 0.00 O ATOM 0 H GLY A 82 -10.697 -7.725 10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.196 -5.418 10.535 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.235 -6.621 11.372 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.518 -6.153 8.721 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.581 -6.548 7.638 1.00 0.00 C ATOM 1165 C LEU A 83 -5.182 -6.850 8.296 1.00 0.00 C ATOM 1166 O LEU A 83 -4.424 -5.895 8.522 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.491 -5.395 6.595 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.724 -5.073 5.713 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.450 -3.808 4.880 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.093 -6.221 4.760 1.00 0.00 C ATOM 0 H LEU A 83 -7.401 -5.186 9.023 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.926 -7.440 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.227 -4.485 7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.660 -5.622 5.927 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.564 -4.921 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.319 -3.585 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.254 -2.968 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.583 -3.974 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.964 -5.937 4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.254 -6.426 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.324 -7.115 5.339 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.780 -8.112 8.645 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.528 -8.374 9.420 1.00 0.00 C ATOM 1184 C PRO A 84 -2.162 -8.110 8.704 1.00 0.00 C ATOM 1185 O PRO A 84 -1.245 -7.576 9.337 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.728 -9.827 9.894 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.671 -10.462 8.869 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.607 -9.324 8.462 1.00 0.00 C ATOM 0 HA PRO A 84 -3.415 -7.651 10.227 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.778 -10.360 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.157 -9.858 10.895 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.122 -10.852 8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.224 -11.297 9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.941 -9.429 7.430 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.501 -9.298 9.085 1.00 0.00 H new ATOM 1196 N LYS A 85 -2.033 -8.422 7.402 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.857 -8.026 6.586 1.00 0.00 C ATOM 1198 C LYS A 85 -0.946 -6.529 6.162 1.00 0.00 C ATOM 1199 O LYS A 85 -1.880 -6.100 5.475 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.767 -8.925 5.324 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.447 -10.419 5.569 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.276 -11.247 4.277 1.00 0.00 C ATOM 1203 CE LYS A 85 1.014 -10.940 3.496 1.00 0.00 C ATOM 1204 NZ LYS A 85 1.092 -11.771 2.281 1.00 0.00 N ATOM 0 H LYS A 85 -2.733 -8.952 6.883 1.00 0.00 H new ATOM 0 HA LYS A 85 0.039 -8.156 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.715 -8.861 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.002 -8.515 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.467 -10.492 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.247 -10.858 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.288 -12.306 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.132 -11.066 3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.039 -9.885 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.882 -11.127 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.968 -11.551 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.090 -12.776 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.273 -11.572 1.671 1.00 0.00 H new ATOM 1217 N ILE A 86 0.094 -5.757 6.510 1.00 0.00 N ATOM 1218 CA ILE A 86 0.318 -4.390 5.945 1.00 0.00 C ATOM 1219 C ILE A 86 0.421 -4.279 4.380 1.00 0.00 C ATOM 1220 O ILE A 86 0.029 -3.247 3.832 1.00 0.00 O ATOM 1221 CB ILE A 86 1.483 -3.677 6.694 1.00 0.00 C ATOM 1222 CG1 ILE A 86 1.499 -2.146 6.407 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.869 -4.323 6.442 1.00 0.00 C ATOM 1224 CD1 ILE A 86 2.027 -1.297 7.564 1.00 0.00 C ATOM 0 H ILE A 86 0.804 -6.045 7.183 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.610 -3.851 6.136 1.00 0.00 H new ATOM 0 HB ILE A 86 1.282 -3.816 7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.112 -1.959 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.486 -1.822 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.632 -3.775 6.995 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.853 -5.360 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.098 -4.289 5.377 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.005 -0.244 7.282 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.401 -1.451 8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.052 -1.590 7.792 1.00 0.00 H new ATOM 1236 N GLU A 87 0.884 -5.326 3.664 1.00 0.00 N ATOM 1237 CA GLU A 87 0.748 -5.427 2.181 1.00 0.00 C ATOM 1238 C GLU A 87 -0.714 -5.226 1.644 1.00 0.00 C ATOM 1239 O GLU A 87 -0.933 -4.345 0.811 1.00 0.00 O ATOM 1240 CB GLU A 87 1.359 -6.763 1.670 1.00 0.00 C ATOM 1241 CG GLU A 87 2.885 -6.932 1.875 1.00 0.00 C ATOM 1242 CD GLU A 87 3.444 -8.205 1.244 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.438 -9.303 1.792 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.953 -7.984 0.000 1.00 0.00 O ATOM 0 H GLU A 87 1.360 -6.123 4.086 1.00 0.00 H new ATOM 0 HA GLU A 87 1.313 -4.589 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.851 -7.587 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.143 -6.855 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.399 -6.069 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.102 -6.939 2.943 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.706 -5.966 2.183 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.157 -5.688 1.959 1.00 0.00 C ATOM 1253 C ASP A 88 -3.652 -4.266 2.411 1.00 0.00 C ATOM 1254 O ASP A 88 -4.400 -3.626 1.667 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.988 -6.811 2.643 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.894 -8.192 1.991 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.794 -8.886 2.394 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.718 -8.626 1.195 1.00 0.00 O ATOM 0 H ASP A 88 -1.534 -6.772 2.785 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.307 -5.684 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.666 -6.896 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.034 -6.506 2.658 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.215 -3.757 3.585 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.480 -2.349 4.025 1.00 0.00 C ATOM 1265 C ARG A 89 -2.944 -1.253 3.044 1.00 0.00 C ATOM 1266 O ARG A 89 -3.732 -0.432 2.571 1.00 0.00 O ATOM 1267 CB ARG A 89 -2.985 -2.100 5.484 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.474 -3.118 6.544 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.524 -2.635 8.002 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.167 -2.545 8.608 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.570 -3.501 9.317 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -2.012 -4.727 9.412 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.484 -3.187 9.955 1.00 0.00 N ATOM 0 H ARG A 89 -2.671 -4.298 4.257 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.565 -2.245 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.895 -2.100 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.303 -1.104 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.474 -3.448 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.825 -3.993 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.005 -1.658 8.044 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.138 -3.318 8.589 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.650 -1.677 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.865 -5.001 8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.504 -5.410 9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.118 -2.236 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.003 -3.891 10.510 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.643 -1.270 2.694 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.071 -0.414 1.622 1.00 0.00 C ATOM 1289 C ALA A 90 -1.674 -0.574 0.187 1.00 0.00 C ATOM 1290 O ALA A 90 -1.906 0.445 -0.466 1.00 0.00 O ATOM 1291 CB ALA A 90 0.448 -0.657 1.643 1.00 0.00 C ATOM 0 H ALA A 90 -0.955 -1.875 3.143 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.339 0.618 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.924 -0.051 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.847 -0.381 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.651 -1.711 1.453 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.975 -1.801 -0.295 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.810 -2.012 -1.519 1.00 0.00 C ATOM 1299 C ASN A 91 -4.213 -1.317 -1.481 1.00 0.00 C ATOM 1300 O ASN A 91 -4.514 -0.512 -2.368 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.971 -3.534 -1.815 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.804 -4.443 -2.201 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -1.968 -5.650 -2.321 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -0.603 -3.974 -2.391 1.00 0.00 N ATOM 0 H ASN A 91 -1.656 -2.667 0.140 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.263 -1.527 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.423 -3.974 -0.926 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.703 -3.615 -2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.160 -4.607 -2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -0.426 -2.974 -2.300 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.053 -1.590 -0.459 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.345 -0.873 -0.264 1.00 0.00 C ATOM 1313 C LEU A 92 -6.232 0.675 -0.085 1.00 0.00 C ATOM 1314 O LEU A 92 -6.992 1.403 -0.723 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.132 -1.574 0.878 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.618 -1.132 1.014 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.523 -2.297 1.424 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.798 0.001 2.035 1.00 0.00 C ATOM 0 H LEU A 92 -4.865 -2.301 0.247 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.906 -0.949 -1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.102 -2.651 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.623 -1.382 1.822 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.906 -0.773 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.552 -1.947 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.468 -3.083 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.195 -2.692 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.852 0.274 2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.455 -0.333 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.216 0.868 1.723 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.302 1.186 0.741 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.065 2.654 0.905 1.00 0.00 C ATOM 1332 C ILE A 93 -4.543 3.352 -0.406 1.00 0.00 C ATOM 1333 O ILE A 93 -5.044 4.429 -0.731 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.225 2.877 2.214 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -5.012 2.453 3.499 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.726 4.336 2.387 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.159 2.258 4.761 1.00 0.00 C ATOM 0 H ILE A 93 -4.690 0.607 1.316 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.008 3.181 1.051 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.353 2.234 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.769 3.209 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.540 1.522 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.154 4.418 3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.092 4.606 1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.581 5.010 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.801 1.966 5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.418 1.478 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.652 3.191 5.005 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.636 2.739 -1.199 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.393 3.137 -2.616 1.00 0.00 C ATOM 1351 C ALA A 94 -4.647 3.193 -3.561 1.00 0.00 C ATOM 1352 O ALA A 94 -4.809 4.172 -4.295 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.310 2.183 -3.152 1.00 0.00 C ATOM 0 H ALA A 94 -3.054 1.962 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.077 4.180 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.091 2.429 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.404 2.289 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.668 1.155 -3.090 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.556 2.196 -3.511 1.00 0.00 N ATOM 1360 CA TYR A 95 -6.916 2.310 -4.116 1.00 0.00 C ATOM 1361 C TYR A 95 -7.826 3.448 -3.532 1.00 0.00 C ATOM 1362 O TYR A 95 -8.384 4.209 -4.322 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.568 0.899 -4.105 1.00 0.00 C ATOM 1364 CG TYR A 95 -8.932 0.788 -4.805 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.028 0.974 -6.189 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.093 0.556 -4.060 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.273 0.976 -6.810 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.336 0.539 -4.689 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.424 0.763 -6.059 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.646 0.837 -6.670 1.00 0.00 O ATOM 0 H TYR A 95 -5.380 1.299 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.800 2.650 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.880 0.198 -4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.685 0.582 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.133 1.116 -6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.026 0.390 -2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.346 1.143 -7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.230 0.352 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.740 1.708 -7.108 1.00 0.00 H new ATOM 1380 N LEU A 96 -7.953 3.614 -2.201 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.610 4.813 -1.588 1.00 0.00 C ATOM 1382 C LEU A 96 -7.999 6.212 -1.966 1.00 0.00 C ATOM 1383 O LEU A 96 -8.757 7.167 -2.139 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.685 4.661 -0.041 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.477 3.474 0.568 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.351 3.506 2.103 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.961 3.478 0.163 1.00 0.00 C ATOM 0 H LEU A 96 -7.612 2.938 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.607 4.824 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.663 4.598 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.114 5.580 0.358 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.043 2.556 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.907 2.672 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.301 3.424 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.755 4.445 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.465 2.625 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.429 4.401 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.042 3.411 -0.922 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.667 6.336 -2.130 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.016 7.511 -2.790 1.00 0.00 C ATOM 1401 C GLU A 97 -6.420 7.752 -4.289 1.00 0.00 C ATOM 1402 O GLU A 97 -6.646 8.903 -4.670 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.474 7.378 -2.638 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.925 7.552 -1.199 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.438 7.239 -1.068 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -1.655 8.324 -1.321 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.994 6.135 -0.765 1.00 0.00 O ATOM 0 H GLU A 97 -6.002 5.630 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.386 8.398 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.174 6.397 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.998 8.119 -3.281 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.101 8.577 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.485 6.903 -0.525 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.547 6.700 -5.124 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.258 6.796 -6.435 1.00 0.00 C ATOM 1416 C GLY A 98 -8.782 7.106 -6.430 1.00 0.00 C ATOM 1417 O GLY A 98 -9.260 7.828 -7.305 1.00 0.00 O ATOM 0 H GLY A 98 -6.171 5.773 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.764 7.569 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.113 5.852 -6.961 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.545 6.572 -5.464 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.982 6.920 -5.245 1.00 0.00 C ATOM 1423 C GLN A 99 -11.145 8.096 -4.214 1.00 0.00 C ATOM 1424 O GLN A 99 -11.764 7.951 -3.153 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.740 5.630 -4.800 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.595 4.313 -5.620 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.183 4.222 -7.033 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -12.982 3.340 -7.338 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.752 5.039 -7.963 1.00 0.00 N ATOM 0 H GLN A 99 -9.192 5.881 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.418 7.285 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.431 5.410 -3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.802 5.874 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.530 4.095 -5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.042 3.513 -5.030 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.088 5.777 -7.726 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.080 4.937 -8.923 1.00 0.00 H new