USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 891 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 70 TYR OH : rot 134:sc= -1.21 USER MOD Set 1.2: A 71 ASN : amide:sc= -7.54! C(o=-8.8!,f=-18!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= -1.53 (180deg=-4.7!) USER MOD Single : A 40 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 53 ASN : amide:sc= -2.54 K(o=-2.5,f=-5.1!) USER MOD Single : A 55 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.091) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= -0.76 (180deg=-0.76) USER MOD Single : A 72 ASN : amide:sc= -4.03 X(o=-4,f=-3.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -2.23 K(o=-2.2,f=-0.52) USER MOD Single : A 75 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.079) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0229) USER MOD Single : A 89 GLN : amide:sc= -6.35 X(o=-6.3,f=-6.2!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -105:sc= -2.97 (180deg=-7.1!) USER MOD Single : A 95 MET CE :methyl -161:sc= -3.33! (180deg=-4.6!) USER MOD Single : A 96 HIS : no HD1:sc= -3.95! K(o=-4!,f=-2.5) USER MOD Single : A 97 TYR OH : rot 9:sc= 1.35 USER MOD Single : A 99 THR OG1 : rot -177:sc= -2.27 USER MOD Single : A 103 ASN : amide:sc= -0.262 K(o=-0.26,f=-6.6!) USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= -0.0145 (180deg=-0.154) USER MOD Single : A 108 LYS NZ :NH3+ 174:sc= -1.25! (180deg=-1.4!) USER MOD Single : A 109 LYS NZ :NH3+ 158:sc= 0.817 (180deg=0.487) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.341 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -7.34 K(o=-7.3,f=-15!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -0.971 K(o=-0.97,f=-0.14) USER MOD Single : A 125 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.5!) USER MOD Single : A 127 GLN : amide:sc= -8.34! C(o=-8.3!,f=-15!) USER MOD Single : A 130 THR OG1 : rot 180:sc=-0.00631 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 5.757 7.522 12.435 1.00 0.00 N ATOM 75 CA PRO A 6 4.553 7.595 13.267 1.00 0.00 C ATOM 76 C PRO A 6 4.095 9.031 13.498 1.00 0.00 C ATOM 77 O PRO A 6 4.908 9.917 13.761 1.00 0.00 O ATOM 78 CB PRO A 6 4.997 6.957 14.583 1.00 0.00 C ATOM 79 CG PRO A 6 6.463 7.212 14.648 1.00 0.00 C ATOM 80 CD PRO A 6 6.956 7.178 13.226 1.00 0.00 C ATOM 0 HA PRO A 6 3.702 7.098 12.801 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.479 7.401 15.433 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.779 5.889 14.599 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.671 8.177 15.109 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.964 6.456 15.252 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.762 7.893 13.064 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.344 6.195 12.959 1.00 0.00 H new ATOM 88 N LYS A 7 2.788 9.254 13.398 1.00 0.00 N ATOM 89 CA LYS A 7 2.223 10.583 13.597 1.00 0.00 C ATOM 90 C LYS A 7 2.793 11.574 12.587 1.00 0.00 C ATOM 91 O LYS A 7 3.955 11.970 12.679 1.00 0.00 O ATOM 92 CB LYS A 7 2.500 11.071 15.020 1.00 0.00 C ATOM 93 CG LYS A 7 1.817 12.386 15.356 1.00 0.00 C ATOM 94 CD LYS A 7 2.748 13.568 15.143 1.00 0.00 C ATOM 95 CE LYS A 7 2.533 14.644 16.195 1.00 0.00 C ATOM 96 NZ LYS A 7 3.508 14.530 17.314 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.101 8.532 13.181 1.00 0.00 H new ATOM 0 HA LYS A 7 1.145 10.518 13.446 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.171 10.309 15.727 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.576 11.186 15.153 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.929 12.505 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.481 12.368 16.393 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.783 13.228 15.176 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.582 13.989 14.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.624 15.627 15.733 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.519 14.570 16.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.327 15.282 18.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.404 13.602 17.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.475 14.626 16.943 1.00 0.00 H new ATOM 110 N LYS A 8 1.968 11.970 11.623 1.00 0.00 N ATOM 111 CA LYS A 8 2.391 12.915 10.596 1.00 0.00 C ATOM 112 C LYS A 8 1.233 13.256 9.660 1.00 0.00 C ATOM 113 O LYS A 8 0.299 12.470 9.503 1.00 0.00 O ATOM 114 CB LYS A 8 3.558 12.339 9.792 1.00 0.00 C ATOM 115 CG LYS A 8 3.343 10.900 9.350 1.00 0.00 C ATOM 116 CD LYS A 8 2.605 10.828 8.023 1.00 0.00 C ATOM 117 CE LYS A 8 3.557 10.557 6.869 1.00 0.00 C ATOM 118 NZ LYS A 8 2.970 9.617 5.874 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.003 11.651 11.532 1.00 0.00 H new ATOM 0 HA LYS A 8 2.717 13.830 11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.723 12.960 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.465 12.393 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.307 10.399 9.259 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.776 10.365 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.852 10.041 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.077 11.765 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.808 11.497 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.488 10.142 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.650 8.856 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.095 9.207 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.755 10.131 4.996 1.00 0.00 H new ATOM 132 N PRO A 9 1.281 14.439 9.024 1.00 0.00 N ATOM 133 CA PRO A 9 0.231 14.882 8.100 1.00 0.00 C ATOM 134 C PRO A 9 0.220 14.074 6.807 1.00 0.00 C ATOM 135 O PRO A 9 1.148 13.313 6.531 1.00 0.00 O ATOM 136 CB PRO A 9 0.598 16.340 7.816 1.00 0.00 C ATOM 137 CG PRO A 9 2.067 16.414 8.050 1.00 0.00 C ATOM 138 CD PRO A 9 2.360 15.436 9.154 1.00 0.00 C ATOM 0 HA PRO A 9 -0.765 14.755 8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.346 16.620 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.058 17.020 8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.620 16.159 7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.367 17.423 8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.344 14.981 9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.346 15.918 10.132 1.00 0.00 H new ATOM 146 N VAL A 10 -0.836 14.243 6.018 1.00 0.00 N ATOM 147 CA VAL A 10 -0.968 13.529 4.755 1.00 0.00 C ATOM 148 C VAL A 10 -1.388 14.475 3.629 1.00 0.00 C ATOM 149 O VAL A 10 -1.973 15.529 3.880 1.00 0.00 O ATOM 150 CB VAL A 10 -1.986 12.373 4.866 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.708 11.536 6.105 1.00 0.00 C ATOM 152 CG2 VAL A 10 -3.412 12.904 4.886 1.00 0.00 C ATOM 0 H VAL A 10 -1.613 14.869 6.232 1.00 0.00 H new ATOM 0 HA VAL A 10 0.011 13.111 4.520 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.876 11.737 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.435 10.726 6.167 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.703 11.118 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.787 12.163 6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.110 12.070 4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.541 13.567 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.608 13.455 3.966 1.00 0.00 H new ATOM 162 N PRO A 11 -1.092 14.109 2.371 1.00 0.00 N ATOM 163 CA PRO A 11 -1.441 14.928 1.207 1.00 0.00 C ATOM 164 C PRO A 11 -2.930 14.871 0.883 1.00 0.00 C ATOM 165 O PRO A 11 -3.729 14.375 1.677 1.00 0.00 O ATOM 166 CB PRO A 11 -0.623 14.300 0.080 1.00 0.00 C ATOM 167 CG PRO A 11 -0.463 12.875 0.481 1.00 0.00 C ATOM 168 CD PRO A 11 -0.395 12.868 1.985 1.00 0.00 C ATOM 0 HA PRO A 11 -1.228 15.984 1.371 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.136 14.387 -0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.344 14.792 -0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.300 12.274 0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.442 12.448 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.883 11.988 2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.636 12.861 2.339 1.00 0.00 H new ATOM 176 N ALA A 12 -3.295 15.382 -0.288 1.00 0.00 N ATOM 177 CA ALA A 12 -4.689 15.389 -0.717 1.00 0.00 C ATOM 178 C ALA A 12 -5.115 14.014 -1.219 1.00 0.00 C ATOM 179 O ALA A 12 -4.392 13.031 -1.056 1.00 0.00 O ATOM 180 CB ALA A 12 -4.902 16.438 -1.798 1.00 0.00 C ATOM 0 H ALA A 12 -2.646 15.796 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.308 15.640 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.947 16.433 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.645 17.422 -1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.267 16.212 -2.655 1.00 0.00 H new ATOM 186 N ALA A 13 -6.293 13.952 -1.830 1.00 0.00 N ATOM 187 CA ALA A 13 -6.816 12.697 -2.357 1.00 0.00 C ATOM 188 C ALA A 13 -6.207 12.377 -3.718 1.00 0.00 C ATOM 189 O ALA A 13 -5.317 13.082 -4.192 1.00 0.00 O ATOM 190 CB ALA A 13 -8.333 12.758 -2.456 1.00 0.00 C ATOM 0 H ALA A 13 -6.904 14.756 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.540 11.899 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.710 11.815 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.756 12.932 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.622 13.571 -3.122 1.00 0.00 H new ATOM 196 N GLU A 14 -6.695 11.309 -4.341 1.00 0.00 N ATOM 197 CA GLU A 14 -6.199 10.895 -5.649 1.00 0.00 C ATOM 198 C GLU A 14 -7.182 9.948 -6.329 1.00 0.00 C ATOM 199 O GLU A 14 -8.255 9.664 -5.797 1.00 0.00 O ATOM 200 CB GLU A 14 -4.834 10.218 -5.509 1.00 0.00 C ATOM 201 CG GLU A 14 -3.667 11.191 -5.534 1.00 0.00 C ATOM 202 CD GLU A 14 -3.102 11.459 -4.153 1.00 0.00 C ATOM 203 OE1 GLU A 14 -2.885 10.485 -3.401 1.00 0.00 O1- ATOM 204 OE2 GLU A 14 -2.876 12.642 -3.823 1.00 0.00 O ATOM 0 H GLU A 14 -7.433 10.715 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.093 11.786 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.810 9.658 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.711 9.496 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.880 10.792 -6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.992 12.132 -5.978 1.00 0.00 H new ATOM 211 N GLU A 15 -6.808 9.463 -7.508 1.00 0.00 N ATOM 212 CA GLU A 15 -7.657 8.547 -8.262 1.00 0.00 C ATOM 213 C GLU A 15 -6.818 7.512 -9.004 1.00 0.00 C ATOM 214 O GLU A 15 -5.594 7.484 -8.876 1.00 0.00 O ATOM 215 CB GLU A 15 -8.525 9.323 -9.254 1.00 0.00 C ATOM 216 CG GLU A 15 -9.860 9.765 -8.679 1.00 0.00 C ATOM 217 CD GLU A 15 -10.993 9.650 -9.679 1.00 0.00 C ATOM 218 OE1 GLU A 15 -10.904 10.282 -10.753 1.00 0.00 O ATOM 219 OE2 GLU A 15 -11.970 8.927 -9.390 1.00 0.00 O1- ATOM 0 H GLU A 15 -5.923 9.689 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.302 8.025 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.977 10.202 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.705 8.701 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.092 9.160 -7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.782 10.799 -8.342 1.00 0.00 H new ATOM 226 N ALA A 16 -7.484 6.662 -9.779 1.00 0.00 N ATOM 227 CA ALA A 16 -6.799 5.626 -10.541 1.00 0.00 C ATOM 228 C ALA A 16 -6.421 6.126 -11.933 1.00 0.00 C ATOM 229 O ALA A 16 -6.987 7.102 -12.426 1.00 0.00 O ATOM 230 CB ALA A 16 -7.672 4.384 -10.644 1.00 0.00 C ATOM 0 H ALA A 16 -8.497 6.671 -9.895 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.880 5.369 -10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.149 3.618 -11.216 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.888 4.007 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.606 4.636 -11.146 1.00 0.00 H new ATOM 236 N PRO A 17 -5.453 5.461 -12.587 1.00 0.00 N ATOM 237 CA PRO A 17 -5.001 5.844 -13.928 1.00 0.00 C ATOM 238 C PRO A 17 -6.045 5.544 -14.998 1.00 0.00 C ATOM 239 O PRO A 17 -6.139 4.420 -15.490 1.00 0.00 O ATOM 240 CB PRO A 17 -3.754 4.984 -14.142 1.00 0.00 C ATOM 241 CG PRO A 17 -3.962 3.794 -13.270 1.00 0.00 C ATOM 242 CD PRO A 17 -4.725 4.286 -12.071 1.00 0.00 C ATOM 0 HA PRO A 17 -4.814 6.915 -14.005 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.647 4.695 -15.188 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.848 5.524 -13.866 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.519 3.018 -13.795 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.009 3.357 -12.973 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.407 3.526 -11.690 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.057 4.555 -11.252 1.00 0.00 H new ATOM 499 N GLU A 36 -9.385 -2.873 -7.241 1.00 0.00 N ATOM 500 CA GLU A 36 -8.517 -3.299 -6.149 1.00 0.00 C ATOM 501 C GLU A 36 -9.027 -2.774 -4.809 1.00 0.00 C ATOM 502 O GLU A 36 -8.532 -1.770 -4.297 1.00 0.00 O ATOM 503 CB GLU A 36 -7.086 -2.813 -6.389 1.00 0.00 C ATOM 504 CG GLU A 36 -6.396 -3.500 -7.556 1.00 0.00 C ATOM 505 CD GLU A 36 -6.435 -5.012 -7.450 1.00 0.00 C ATOM 506 OE1 GLU A 36 -6.604 -5.524 -6.323 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -6.297 -5.684 -8.494 1.00 0.00 O ATOM 0 HA GLU A 36 -8.524 -4.389 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.102 -1.738 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.500 -2.976 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.873 -3.193 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.358 -3.170 -7.605 1.00 0.00 H new ATOM 514 N PRO A 37 -10.030 -3.449 -4.221 1.00 0.00 N ATOM 515 CA PRO A 37 -10.606 -3.046 -2.934 1.00 0.00 C ATOM 516 C PRO A 37 -9.638 -3.258 -1.775 1.00 0.00 C ATOM 517 O PRO A 37 -8.860 -4.211 -1.770 1.00 0.00 O ATOM 518 CB PRO A 37 -11.825 -3.959 -2.787 1.00 0.00 C ATOM 519 CG PRO A 37 -11.503 -5.158 -3.610 1.00 0.00 C ATOM 520 CD PRO A 37 -10.679 -4.658 -4.764 1.00 0.00 C ATOM 0 HA PRO A 37 -10.849 -1.984 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.994 -4.228 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.732 -3.468 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.951 -5.895 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.412 -5.646 -3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.946 -5.398 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.299 -4.427 -5.630 1.00 0.00 H new ATOM 528 N ARG A 38 -9.693 -2.363 -0.794 1.00 0.00 N ATOM 529 CA ARG A 38 -8.821 -2.452 0.372 1.00 0.00 C ATOM 530 C ARG A 38 -9.603 -2.899 1.603 1.00 0.00 C ATOM 531 O ARG A 38 -10.765 -2.532 1.780 1.00 0.00 O ATOM 532 CB ARG A 38 -8.153 -1.101 0.638 1.00 0.00 C ATOM 533 CG ARG A 38 -6.698 -1.216 1.062 1.00 0.00 C ATOM 534 CD ARG A 38 -6.559 -1.938 2.393 1.00 0.00 C ATOM 535 NE ARG A 38 -5.536 -1.332 3.241 1.00 0.00 N ATOM 536 CZ ARG A 38 -5.629 -0.108 3.756 1.00 0.00 C ATOM 537 NH1 ARG A 38 -6.696 0.643 3.511 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -4.653 0.367 4.517 1.00 0.00 N ATOM 0 H ARG A 38 -10.332 -1.568 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.051 -3.195 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.213 -0.491 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.709 -0.577 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.136 -1.751 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.261 -0.220 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.516 -1.925 2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.308 -2.984 2.214 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.701 -1.879 3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.450 0.283 2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.762 1.580 3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.831 -0.205 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.724 1.305 4.912 1.00 0.00 H new ATOM 552 N GLU A 39 -8.958 -3.693 2.451 1.00 0.00 N ATOM 553 CA GLU A 39 -9.593 -4.191 3.666 1.00 0.00 C ATOM 554 C GLU A 39 -9.388 -3.218 4.824 1.00 0.00 C ATOM 555 O GLU A 39 -8.933 -2.092 4.629 1.00 0.00 O ATOM 556 CB GLU A 39 -9.031 -5.566 4.033 1.00 0.00 C ATOM 557 CG GLU A 39 -10.079 -6.527 4.571 1.00 0.00 C ATOM 558 CD GLU A 39 -9.890 -7.942 4.059 1.00 0.00 C ATOM 559 OE1 GLU A 39 -8.883 -8.578 4.434 1.00 0.00 O ATOM 560 OE2 GLU A 39 -10.748 -8.413 3.284 1.00 0.00 O1- ATOM 0 H GLU A 39 -7.996 -4.006 2.319 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.663 -4.283 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.565 -6.006 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.247 -5.441 4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.039 -6.530 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.071 -6.172 4.290 1.00 0.00 H new ATOM 567 N HIS A 40 -9.728 -3.662 6.030 1.00 0.00 N ATOM 568 CA HIS A 40 -9.582 -2.831 7.220 1.00 0.00 C ATOM 569 C HIS A 40 -9.036 -3.646 8.390 1.00 0.00 C ATOM 570 O HIS A 40 -9.800 -4.187 9.190 1.00 0.00 O ATOM 571 CB HIS A 40 -10.926 -2.207 7.600 1.00 0.00 C ATOM 572 CG HIS A 40 -12.010 -3.215 7.826 1.00 0.00 C ATOM 573 ND1 HIS A 40 -12.652 -3.873 6.798 1.00 0.00 N ATOM 574 CD2 HIS A 40 -12.566 -3.678 8.971 1.00 0.00 C ATOM 575 CE1 HIS A 40 -13.556 -4.696 7.300 1.00 0.00 C ATOM 576 NE2 HIS A 40 -13.523 -4.596 8.616 1.00 0.00 N ATOM 0 H HIS A 40 -10.106 -4.592 6.209 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.872 -2.036 6.993 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.799 -1.613 8.505 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.236 -1.523 6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.305 -3.380 9.976 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.210 -5.340 6.731 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -14.113 -5.117 9.264 1.00 0.00 H new ATOM 585 N PRO A 41 -7.700 -3.744 8.506 1.00 0.00 N ATOM 586 CA PRO A 41 -7.055 -4.497 9.586 1.00 0.00 C ATOM 587 C PRO A 41 -7.214 -3.818 10.941 1.00 0.00 C ATOM 588 O PRO A 41 -7.618 -2.658 11.022 1.00 0.00 O ATOM 589 CB PRO A 41 -5.582 -4.523 9.170 1.00 0.00 C ATOM 590 CG PRO A 41 -5.409 -3.317 8.314 1.00 0.00 C ATOM 591 CD PRO A 41 -6.716 -3.128 7.595 1.00 0.00 C ATOM 0 HA PRO A 41 -7.494 -5.487 9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.925 -4.489 10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.341 -5.435 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.165 -2.442 8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.591 -3.455 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.932 -2.073 7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.712 -3.614 6.620 1.00 0.00 H new ATOM 599 N ILE A 42 -6.893 -4.547 12.005 1.00 0.00 N ATOM 600 CA ILE A 42 -7.000 -4.015 13.358 1.00 0.00 C ATOM 601 C ILE A 42 -5.876 -3.026 13.649 1.00 0.00 C ATOM 602 O ILE A 42 -4.833 -3.046 12.996 1.00 0.00 O ATOM 603 CB ILE A 42 -6.971 -5.143 14.409 1.00 0.00 C ATOM 604 CG1 ILE A 42 -7.202 -4.575 15.811 1.00 0.00 C ATOM 605 CG2 ILE A 42 -5.650 -5.895 14.346 1.00 0.00 C ATOM 606 CD1 ILE A 42 -7.484 -5.635 16.853 1.00 0.00 C ATOM 0 H ILE A 42 -6.556 -5.509 11.956 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.957 -3.498 13.422 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.776 -5.844 14.186 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.323 -4.005 16.113 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -8.039 -3.877 15.778 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.646 -6.688 15.094 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.527 -6.331 13.355 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.829 -5.206 14.544 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.638 -5.161 17.822 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.380 -6.190 16.574 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.638 -6.319 16.914 1.00 0.00 H new ATOM 618 N MET A 43 -6.096 -2.161 14.635 1.00 0.00 N ATOM 619 CA MET A 43 -5.101 -1.163 15.014 1.00 0.00 C ATOM 620 C MET A 43 -3.788 -1.826 15.417 1.00 0.00 C ATOM 621 O MET A 43 -3.667 -3.051 15.396 1.00 0.00 O ATOM 622 CB MET A 43 -5.626 -0.304 16.166 1.00 0.00 C ATOM 623 CG MET A 43 -6.108 -1.114 17.358 1.00 0.00 C ATOM 624 SD MET A 43 -7.567 -0.399 18.139 1.00 0.00 S ATOM 625 CE MET A 43 -8.579 -1.860 18.368 1.00 0.00 C ATOM 0 H MET A 43 -6.954 -2.131 15.186 1.00 0.00 H new ATOM 0 HA MET A 43 -4.914 -0.527 14.149 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.837 0.373 16.493 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.446 0.315 15.802 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.335 -2.130 17.034 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.306 -1.185 18.092 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.520 -1.580 18.843 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.783 -2.317 17.400 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.051 -2.573 19.001 1.00 0.00 H new ATOM 635 N GLY A 44 -2.807 -1.009 15.785 1.00 0.00 N ATOM 636 CA GLY A 44 -1.515 -1.534 16.188 1.00 0.00 C ATOM 637 C GLY A 44 -0.438 -0.467 16.213 1.00 0.00 C ATOM 638 O GLY A 44 -0.628 0.629 15.687 1.00 0.00 O ATOM 0 H GLY A 44 -2.883 0.008 15.811 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.601 -1.982 17.178 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.219 -2.328 15.503 1.00 0.00 H new ATOM 642 N GLY A 45 0.697 -0.789 16.825 1.00 0.00 N ATOM 643 CA GLY A 45 1.792 0.159 16.905 1.00 0.00 C ATOM 644 C GLY A 45 2.881 -0.124 15.888 1.00 0.00 C ATOM 645 O GLY A 45 2.675 -0.888 14.945 1.00 0.00 O ATOM 0 H GLY A 45 0.878 -1.690 17.267 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.408 1.167 16.750 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.219 0.132 17.907 1.00 0.00 H new ATOM 649 N ILE A 46 4.042 0.493 16.080 1.00 0.00 N ATOM 650 CA ILE A 46 5.167 0.303 15.171 1.00 0.00 C ATOM 651 C ILE A 46 5.918 -0.987 15.491 1.00 0.00 C ATOM 652 O ILE A 46 7.108 -0.965 15.808 1.00 0.00 O ATOM 653 CB ILE A 46 6.151 1.489 15.235 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.391 2.817 15.206 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.144 1.415 14.085 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.656 3.065 13.907 1.00 0.00 C ATOM 0 H ILE A 46 4.229 1.128 16.856 1.00 0.00 H new ATOM 0 HA ILE A 46 4.754 0.241 14.164 1.00 0.00 H new ATOM 0 HB ILE A 46 6.704 1.431 16.172 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.675 2.835 16.028 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.094 3.632 15.378 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.832 2.258 14.143 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.706 0.483 14.149 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.607 1.450 13.137 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.140 4.024 13.958 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.369 3.080 13.083 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.928 2.270 13.743 1.00 0.00 H new ATOM 668 N TYR A 47 5.214 -2.111 15.406 1.00 0.00 N ATOM 669 CA TYR A 47 5.813 -3.410 15.687 1.00 0.00 C ATOM 670 C TYR A 47 4.872 -4.542 15.286 1.00 0.00 C ATOM 671 O TYR A 47 5.298 -5.541 14.706 1.00 0.00 O ATOM 672 CB TYR A 47 6.163 -3.524 17.171 1.00 0.00 C ATOM 673 CG TYR A 47 7.285 -4.497 17.457 1.00 0.00 C ATOM 674 CD1 TYR A 47 7.165 -5.842 17.130 1.00 0.00 C ATOM 675 CD2 TYR A 47 8.465 -4.070 18.053 1.00 0.00 C ATOM 676 CE1 TYR A 47 8.188 -6.733 17.389 1.00 0.00 C ATOM 677 CE2 TYR A 47 9.494 -4.955 18.315 1.00 0.00 C ATOM 678 CZ TYR A 47 9.350 -6.285 17.981 1.00 0.00 C ATOM 679 OH TYR A 47 10.371 -7.170 18.241 1.00 0.00 O ATOM 0 H TYR A 47 4.229 -2.148 15.145 1.00 0.00 H new ATOM 0 HA TYR A 47 6.726 -3.495 15.098 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.443 -2.540 17.546 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.275 -3.834 17.722 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.257 -6.197 16.666 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.580 -3.029 18.316 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.078 -7.776 17.129 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.405 -4.607 18.779 1.00 0.00 H new ATOM 0 HH TYR A 47 11.118 -6.693 18.659 1.00 0.00 H new ATOM 689 N ASP A 48 3.590 -4.378 15.599 1.00 0.00 N ATOM 690 CA ASP A 48 2.588 -5.386 15.271 1.00 0.00 C ATOM 691 C ASP A 48 2.541 -5.638 13.768 1.00 0.00 C ATOM 692 O ASP A 48 2.495 -4.700 12.972 1.00 0.00 O ATOM 693 CB ASP A 48 1.210 -4.946 15.769 1.00 0.00 C ATOM 694 CG ASP A 48 1.241 -4.467 17.207 1.00 0.00 C ATOM 695 OD1 ASP A 48 1.591 -3.289 17.434 1.00 0.00 O ATOM 696 OD2 ASP A 48 0.914 -5.269 18.107 1.00 0.00 O1- ATOM 0 H ASP A 48 3.221 -3.557 16.079 1.00 0.00 H new ATOM 0 HA ASP A 48 2.867 -6.315 15.768 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.834 -4.146 15.131 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.512 -5.779 15.681 1.00 0.00 H new ATOM 701 N ALA A 49 2.554 -6.911 13.386 1.00 0.00 N ATOM 702 CA ALA A 49 2.512 -7.286 11.978 1.00 0.00 C ATOM 703 C ALA A 49 1.617 -8.505 11.759 1.00 0.00 C ATOM 704 O ALA A 49 2.035 -9.492 11.152 1.00 0.00 O ATOM 705 CB ALA A 49 3.918 -7.560 11.465 1.00 0.00 C ATOM 0 H ALA A 49 2.593 -7.700 14.032 1.00 0.00 H new ATOM 0 HA ALA A 49 2.088 -6.453 11.417 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.873 -7.839 10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.527 -6.663 11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.362 -8.374 12.038 1.00 0.00 H new ATOM 711 N PRO A 50 0.367 -8.452 12.252 1.00 0.00 N ATOM 712 CA PRO A 50 -0.586 -9.557 12.105 1.00 0.00 C ATOM 713 C PRO A 50 -0.856 -9.899 10.644 1.00 0.00 C ATOM 714 O PRO A 50 -0.386 -10.917 10.136 1.00 0.00 O ATOM 715 CB PRO A 50 -1.861 -9.040 12.786 1.00 0.00 C ATOM 716 CG PRO A 50 -1.691 -7.560 12.876 1.00 0.00 C ATOM 717 CD PRO A 50 -0.214 -7.317 12.987 1.00 0.00 C ATOM 0 HA PRO A 50 -0.205 -10.478 12.546 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.748 -9.299 12.208 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.985 -9.482 13.775 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.102 -7.066 11.996 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.218 -7.159 13.742 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.072 -6.362 12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.115 -7.299 14.026 1.00 0.00 H new ATOM 725 N LEU A 51 -1.616 -9.042 9.974 1.00 0.00 N ATOM 726 CA LEU A 51 -1.951 -9.249 8.570 1.00 0.00 C ATOM 727 C LEU A 51 -2.676 -10.578 8.373 1.00 0.00 C ATOM 728 O LEU A 51 -2.244 -11.425 7.592 1.00 0.00 O ATOM 729 CB LEU A 51 -0.685 -9.209 7.711 1.00 0.00 C ATOM 730 CG LEU A 51 -0.931 -9.144 6.200 1.00 0.00 C ATOM 731 CD1 LEU A 51 -0.147 -7.998 5.577 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.561 -10.466 5.540 1.00 0.00 C ATOM 0 H LEU A 51 -2.013 -8.195 10.381 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.617 -8.445 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.091 -8.343 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.088 -10.094 7.929 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.993 -8.962 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.335 -7.969 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.461 -7.056 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.918 -8.147 5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.743 -10.400 4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.493 -10.679 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.169 -11.266 5.963 1.00 0.00 H new ATOM 744 N ASN A 52 -3.783 -10.752 9.089 1.00 0.00 N ATOM 745 CA ASN A 52 -4.569 -11.977 8.994 1.00 0.00 C ATOM 746 C ASN A 52 -5.058 -12.202 7.566 1.00 0.00 C ATOM 747 O ASN A 52 -5.247 -13.340 7.137 1.00 0.00 O ATOM 748 CB ASN A 52 -5.762 -11.917 9.950 1.00 0.00 C ATOM 749 CG ASN A 52 -6.200 -13.292 10.415 1.00 0.00 C ATOM 750 OD1 ASN A 52 -5.451 -14.263 10.310 1.00 0.00 O ATOM 751 ND2 ASN A 52 -7.420 -13.381 10.931 1.00 0.00 N ATOM 0 H ASN A 52 -4.155 -10.061 9.740 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.928 -12.813 9.275 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.500 -11.310 10.816 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.597 -11.421 9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.770 -14.281 11.260 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.007 -12.550 10.999 1.00 0.00 H new ATOM 758 N ASN A 53 -5.262 -11.110 6.836 1.00 0.00 N ATOM 759 CA ASN A 53 -5.730 -11.189 5.457 1.00 0.00 C ATOM 760 C ASN A 53 -4.563 -11.410 4.498 1.00 0.00 C ATOM 761 O ASN A 53 -4.340 -10.619 3.581 1.00 0.00 O ATOM 762 CB ASN A 53 -6.486 -9.914 5.080 1.00 0.00 C ATOM 763 CG ASN A 53 -5.610 -8.678 5.156 1.00 0.00 C ATOM 764 OD1 ASN A 53 -4.985 -8.285 4.172 1.00 0.00 O ATOM 765 ND2 ASN A 53 -5.562 -8.059 6.330 1.00 0.00 N ATOM 0 H ASN A 53 -5.111 -10.160 7.176 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.407 -12.040 5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.881 -10.015 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.341 -9.792 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.990 -7.222 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.097 -8.421 7.119 1.00 0.00 H new ATOM 772 N GLU A 54 -3.821 -12.490 4.716 1.00 0.00 N ATOM 773 CA GLU A 54 -2.677 -12.817 3.872 1.00 0.00 C ATOM 774 C GLU A 54 -3.037 -13.890 2.846 1.00 0.00 C ATOM 775 O GLU A 54 -2.155 -14.522 2.264 1.00 0.00 O ATOM 776 CB GLU A 54 -1.503 -13.291 4.729 1.00 0.00 C ATOM 777 CG GLU A 54 -0.146 -13.055 4.086 1.00 0.00 C ATOM 778 CD GLU A 54 0.398 -14.294 3.402 1.00 0.00 C ATOM 779 OE1 GLU A 54 0.217 -15.402 3.949 1.00 0.00 O1- ATOM 780 OE2 GLU A 54 1.007 -14.156 2.320 1.00 0.00 O ATOM 0 H GLU A 54 -3.991 -13.155 5.471 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.388 -11.913 3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.535 -12.777 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.619 -14.356 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.229 -12.249 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.560 -12.725 4.848 1.00 0.00 H new ATOM 787 N ASN A 55 -4.334 -14.093 2.627 1.00 0.00 N ATOM 788 CA ASN A 55 -4.799 -15.092 1.670 1.00 0.00 C ATOM 789 C ASN A 55 -4.246 -14.810 0.277 1.00 0.00 C ATOM 790 O ASN A 55 -4.039 -15.728 -0.517 1.00 0.00 O ATOM 791 CB ASN A 55 -6.328 -15.116 1.630 1.00 0.00 C ATOM 792 CG ASN A 55 -6.942 -15.191 3.014 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.067 -16.270 3.593 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.328 -14.040 3.553 1.00 0.00 N ATOM 0 H ASN A 55 -5.079 -13.580 3.098 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.435 -16.067 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.689 -14.221 1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.660 -15.971 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.747 -14.027 4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.205 -13.169 3.037 1.00 0.00 H new ATOM 801 N GLY A 56 -4.006 -13.535 -0.013 1.00 0.00 N ATOM 802 CA GLY A 56 -3.476 -13.158 -1.310 1.00 0.00 C ATOM 803 C GLY A 56 -4.255 -12.025 -1.951 1.00 0.00 C ATOM 804 O GLY A 56 -3.677 -11.015 -2.352 1.00 0.00 O ATOM 0 H GLY A 56 -4.169 -12.757 0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.433 -12.860 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.492 -14.025 -1.971 1.00 0.00 H new ATOM 808 N PHE A 57 -5.569 -12.195 -2.049 1.00 0.00 N ATOM 809 CA PHE A 57 -6.427 -11.179 -2.647 1.00 0.00 C ATOM 810 C PHE A 57 -6.334 -9.864 -1.879 1.00 0.00 C ATOM 811 O PHE A 57 -6.256 -8.790 -2.475 1.00 0.00 O ATOM 812 CB PHE A 57 -7.878 -11.662 -2.680 1.00 0.00 C ATOM 813 CG PHE A 57 -8.071 -12.929 -3.464 1.00 0.00 C ATOM 814 CD1 PHE A 57 -7.872 -14.164 -2.869 1.00 0.00 C ATOM 815 CD2 PHE A 57 -8.453 -12.883 -4.795 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.049 -15.331 -3.588 1.00 0.00 C ATOM 817 CE2 PHE A 57 -8.632 -14.047 -5.519 1.00 0.00 C ATOM 818 CZ PHE A 57 -8.430 -15.272 -4.914 1.00 0.00 C ATOM 0 H PHE A 57 -6.063 -13.026 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.085 -11.007 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.223 -11.820 -1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.503 -10.879 -3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.575 -14.216 -1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.613 -11.927 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -7.890 -16.288 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.929 -13.999 -6.556 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.570 -16.183 -5.477 1.00 0.00 H new ATOM 828 N ASP A 58 -6.345 -9.957 -0.553 1.00 0.00 N ATOM 829 CA ASP A 58 -6.264 -8.775 0.296 1.00 0.00 C ATOM 830 C ASP A 58 -4.880 -8.138 0.219 1.00 0.00 C ATOM 831 O ASP A 58 -4.750 -6.946 -0.060 1.00 0.00 O ATOM 832 CB ASP A 58 -6.590 -9.140 1.746 1.00 0.00 C ATOM 833 CG ASP A 58 -8.054 -9.481 1.941 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.912 -8.656 1.561 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -8.343 -10.573 2.475 1.00 0.00 O ATOM 0 H ASP A 58 -6.409 -10.839 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.995 -8.051 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.978 -9.989 2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.324 -8.307 2.396 1.00 0.00 H new ATOM 840 N LYS A 59 -3.850 -8.939 0.469 1.00 0.00 N ATOM 841 CA LYS A 59 -2.475 -8.452 0.429 1.00 0.00 C ATOM 842 C LYS A 59 -2.144 -7.865 -0.941 1.00 0.00 C ATOM 843 O LYS A 59 -1.555 -6.788 -1.042 1.00 0.00 O ATOM 844 CB LYS A 59 -1.500 -9.585 0.770 1.00 0.00 C ATOM 845 CG LYS A 59 -1.267 -10.562 -0.372 1.00 0.00 C ATOM 846 CD LYS A 59 -0.311 -11.673 0.033 1.00 0.00 C ATOM 847 CE LYS A 59 1.108 -11.381 -0.428 1.00 0.00 C ATOM 848 NZ LYS A 59 2.120 -12.078 0.414 1.00 0.00 N1+ ATOM 0 H LYS A 59 -3.941 -9.928 0.701 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.372 -7.662 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.544 -9.152 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.882 -10.133 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.218 -10.994 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.863 -10.028 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.326 -11.791 1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.647 -12.618 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.224 -11.692 -1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.286 -10.306 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.074 -11.853 0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.027 -11.763 1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.966 -13.105 0.363 1.00 0.00 H new ATOM 862 N GLU A 60 -2.527 -8.582 -1.992 1.00 0.00 N ATOM 863 CA GLU A 60 -2.272 -8.137 -3.356 1.00 0.00 C ATOM 864 C GLU A 60 -3.025 -6.846 -3.659 1.00 0.00 C ATOM 865 O GLU A 60 -2.460 -5.902 -4.212 1.00 0.00 O ATOM 866 CB GLU A 60 -2.678 -9.224 -4.354 1.00 0.00 C ATOM 867 CG GLU A 60 -1.807 -10.468 -4.285 1.00 0.00 C ATOM 868 CD GLU A 60 -0.928 -10.634 -5.509 1.00 0.00 C ATOM 869 OE1 GLU A 60 -1.478 -10.747 -6.625 1.00 0.00 O1- ATOM 870 OE2 GLU A 60 0.311 -10.652 -5.352 1.00 0.00 O ATOM 0 H GLU A 60 -3.016 -9.475 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.204 -7.944 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.715 -9.506 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.633 -8.814 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.179 -10.418 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.443 -11.347 -4.177 1.00 0.00 H new ATOM 877 N ASP A 61 -4.302 -6.811 -3.294 1.00 0.00 N ATOM 878 CA ASP A 61 -5.132 -5.634 -3.527 1.00 0.00 C ATOM 879 C ASP A 61 -4.528 -4.401 -2.863 1.00 0.00 C ATOM 880 O ASP A 61 -4.503 -3.318 -3.448 1.00 0.00 O ATOM 881 CB ASP A 61 -6.548 -5.870 -2.998 1.00 0.00 C ATOM 882 CG ASP A 61 -7.373 -6.744 -3.923 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.775 -7.455 -4.758 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.617 -6.717 -3.812 1.00 0.00 O ATOM 0 H ASP A 61 -4.785 -7.584 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.177 -5.460 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.492 -6.337 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.048 -4.911 -2.867 1.00 0.00 H new ATOM 889 N LEU A 62 -4.041 -4.574 -1.639 1.00 0.00 N ATOM 890 CA LEU A 62 -3.436 -3.475 -0.895 1.00 0.00 C ATOM 891 C LEU A 62 -2.157 -2.997 -1.574 1.00 0.00 C ATOM 892 O LEU A 62 -2.003 -1.811 -1.865 1.00 0.00 O ATOM 893 CB LEU A 62 -3.136 -3.911 0.541 1.00 0.00 C ATOM 894 CG LEU A 62 -2.381 -2.887 1.395 1.00 0.00 C ATOM 895 CD1 LEU A 62 -2.923 -1.483 1.165 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.472 -3.259 2.866 1.00 0.00 C ATOM 0 H LEU A 62 -4.053 -5.464 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.144 -2.647 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.078 -4.147 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.554 -4.832 0.509 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.333 -2.898 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.371 -0.774 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.808 -1.216 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.979 -1.452 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.931 -2.523 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.518 -3.277 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.032 -4.244 3.020 1.00 0.00 H new ATOM 908 N ALA A 63 -1.241 -3.928 -1.824 1.00 0.00 N ATOM 909 CA ALA A 63 0.026 -3.600 -2.469 1.00 0.00 C ATOM 910 C ALA A 63 -0.202 -2.903 -3.807 1.00 0.00 C ATOM 911 O ALA A 63 0.317 -1.811 -4.046 1.00 0.00 O ATOM 912 CB ALA A 63 0.859 -4.858 -2.663 1.00 0.00 C ATOM 0 H ALA A 63 -1.352 -4.915 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 63 0.569 -2.913 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.802 -4.599 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.060 -5.314 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.313 -5.563 -3.289 1.00 0.00 H new ATOM 918 N ARG A 64 -0.982 -3.539 -4.675 1.00 0.00 N ATOM 919 CA ARG A 64 -1.281 -2.979 -5.988 1.00 0.00 C ATOM 920 C ARG A 64 -1.973 -1.627 -5.855 1.00 0.00 C ATOM 921 O ARG A 64 -1.721 -0.709 -6.636 1.00 0.00 O ATOM 922 CB ARG A 64 -2.164 -3.941 -6.786 1.00 0.00 C ATOM 923 CG ARG A 64 -2.019 -3.794 -8.292 1.00 0.00 C ATOM 924 CD ARG A 64 -2.295 -2.368 -8.742 1.00 0.00 C ATOM 925 NE ARG A 64 -2.740 -2.310 -10.132 1.00 0.00 N ATOM 926 CZ ARG A 64 -1.943 -2.529 -11.176 1.00 0.00 C ATOM 927 NH1 ARG A 64 -0.662 -2.821 -10.992 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -2.429 -2.456 -12.408 1.00 0.00 N ATOM 0 H ARG A 64 -1.419 -4.443 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.340 -2.836 -6.519 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.918 -4.965 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.206 -3.776 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.011 -4.083 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.708 -4.474 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.056 -1.926 -8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.392 -1.770 -8.625 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.719 -2.089 -10.314 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.283 -2.879 -10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.056 -2.988 -11.796 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.413 -2.232 -12.556 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.819 -2.624 -13.208 1.00 0.00 H new ATOM 942 N PHE A 65 -2.847 -1.512 -4.861 1.00 0.00 N ATOM 943 CA PHE A 65 -3.578 -0.273 -4.623 1.00 0.00 C ATOM 944 C PHE A 65 -2.618 0.885 -4.367 1.00 0.00 C ATOM 945 O PHE A 65 -2.593 1.857 -5.119 1.00 0.00 O ATOM 946 CB PHE A 65 -4.528 -0.438 -3.434 1.00 0.00 C ATOM 947 CG PHE A 65 -5.300 0.807 -3.103 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.113 1.407 -4.051 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.211 1.378 -1.843 1.00 0.00 C ATOM 950 CE1 PHE A 65 -6.823 2.554 -3.749 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.919 2.524 -1.535 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.726 3.113 -2.489 1.00 0.00 C ATOM 0 H PHE A 65 -3.067 -2.263 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.161 -0.046 -5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.230 -1.244 -3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.953 -0.742 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.193 0.974 -5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.581 0.922 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.453 3.013 -4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.842 2.959 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.280 4.009 -2.250 1.00 0.00 H new ATOM 962 N ALA A 66 -1.832 0.775 -3.300 1.00 0.00 N ATOM 963 CA ALA A 66 -0.872 1.815 -2.947 1.00 0.00 C ATOM 964 C ALA A 66 0.078 2.107 -4.104 1.00 0.00 C ATOM 965 O ALA A 66 0.218 3.254 -4.534 1.00 0.00 O ATOM 966 CB ALA A 66 -0.086 1.409 -1.708 1.00 0.00 C ATOM 0 H ALA A 66 -1.841 -0.023 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.429 2.727 -2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.627 2.194 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.772 1.260 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.451 0.481 -1.906 1.00 0.00 H new ATOM 972 N VAL A 67 0.728 1.062 -4.608 1.00 0.00 N ATOM 973 CA VAL A 67 1.664 1.209 -5.717 1.00 0.00 C ATOM 974 C VAL A 67 1.028 1.972 -6.875 1.00 0.00 C ATOM 975 O VAL A 67 1.585 2.952 -7.368 1.00 0.00 O ATOM 976 CB VAL A 67 2.154 -0.162 -6.225 1.00 0.00 C ATOM 977 CG1 VAL A 67 3.189 0.012 -7.326 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.721 -0.987 -5.078 1.00 0.00 C ATOM 0 H VAL A 67 0.624 0.106 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 67 2.517 1.773 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 67 1.301 -0.698 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.522 -0.967 -7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.746 0.558 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.042 0.570 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.061 -1.951 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.561 -0.457 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.948 -1.145 -4.326 1.00 0.00 H new ATOM 988 N ARG A 68 -0.145 1.517 -7.299 1.00 0.00 N ATOM 989 CA ARG A 68 -0.862 2.157 -8.395 1.00 0.00 C ATOM 990 C ARG A 68 -1.317 3.560 -8.001 1.00 0.00 C ATOM 991 O ARG A 68 -1.449 4.440 -8.851 1.00 0.00 O ATOM 992 CB ARG A 68 -2.067 1.306 -8.804 1.00 0.00 C ATOM 993 CG ARG A 68 -2.940 1.949 -9.871 1.00 0.00 C ATOM 994 CD ARG A 68 -3.905 0.947 -10.484 1.00 0.00 C ATOM 995 NE ARG A 68 -5.298 1.278 -10.191 1.00 0.00 N ATOM 996 CZ ARG A 68 -5.913 0.962 -9.053 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.265 0.305 -8.099 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -7.181 1.303 -8.869 1.00 0.00 N ATOM 0 H ARG A 68 -0.620 0.707 -6.900 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.184 2.244 -9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.712 0.343 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.675 1.107 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.501 2.775 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.308 2.372 -10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.759 0.917 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.682 -0.050 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.831 1.781 -10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.290 0.039 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.742 0.066 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.685 1.807 -9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.653 1.061 -7.998 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.553 3.761 -6.708 1.00 0.00 N ATOM 1013 CA GLU A 69 -1.992 5.057 -6.203 1.00 0.00 C ATOM 1014 C GLU A 69 -0.908 6.110 -6.402 1.00 0.00 C ATOM 1015 O GLU A 69 -1.190 7.238 -6.807 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.355 4.957 -4.720 1.00 0.00 C ATOM 1017 CG GLU A 69 -3.341 6.020 -4.262 1.00 0.00 C ATOM 1018 CD GLU A 69 -2.853 7.428 -4.543 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -2.092 7.969 -3.714 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -3.232 7.989 -5.592 1.00 0.00 O ATOM 0 H GLU A 69 -1.448 3.043 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.876 5.357 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.778 3.972 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.445 5.037 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.296 5.864 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.520 5.908 -3.193 1.00 0.00 H new ATOM 1027 N TYR A 70 0.333 5.736 -6.114 1.00 0.00 N ATOM 1028 CA TYR A 70 1.459 6.651 -6.263 1.00 0.00 C ATOM 1029 C TYR A 70 2.045 6.578 -7.674 1.00 0.00 C ATOM 1030 O TYR A 70 2.756 7.484 -8.108 1.00 0.00 O ATOM 1031 CB TYR A 70 2.537 6.338 -5.217 1.00 0.00 C ATOM 1032 CG TYR A 70 3.618 5.393 -5.698 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.711 5.866 -6.415 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.544 4.032 -5.438 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.699 5.007 -6.858 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.528 3.166 -5.877 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.602 3.659 -6.587 1.00 0.00 C ATOM 1038 OH TYR A 70 6.584 2.800 -7.026 1.00 0.00 O ATOM 0 H TYR A 70 0.585 4.807 -5.776 1.00 0.00 H new ATOM 0 HA TYR A 70 1.097 7.666 -6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.002 7.272 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.059 5.906 -4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.789 6.922 -6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.703 3.643 -4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.542 5.390 -7.413 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.456 2.109 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 70 6.835 2.192 -6.300 1.00 0.00 H new ATOM 1048 N ASN A 71 1.752 5.490 -8.379 1.00 0.00 N ATOM 1049 CA ASN A 71 2.259 5.296 -9.733 1.00 0.00 C ATOM 1050 C ASN A 71 1.371 5.980 -10.770 1.00 0.00 C ATOM 1051 O ASN A 71 1.833 6.336 -11.854 1.00 0.00 O ATOM 1052 CB ASN A 71 2.367 3.802 -10.046 1.00 0.00 C ATOM 1053 CG ASN A 71 3.660 3.199 -9.535 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.658 2.396 -8.602 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.775 3.585 -10.144 1.00 0.00 N ATOM 0 H ASN A 71 1.166 4.729 -8.035 1.00 0.00 H new ATOM 0 HA ASN A 71 3.248 5.751 -9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.523 3.277 -9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.300 3.653 -11.124 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.676 3.213 -9.842 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.731 4.253 -10.914 1.00 0.00 H new ATOM 1062 N ASN A 72 0.095 6.157 -10.440 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.845 6.792 -11.358 1.00 0.00 C ATOM 1064 C ASN A 72 -0.755 8.315 -11.277 1.00 0.00 C ATOM 1065 O ASN A 72 -0.918 9.010 -12.280 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.277 6.324 -11.062 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.946 7.118 -9.953 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -3.590 8.137 -10.206 1.00 0.00 O ATOM 1069 ND2 ASN A 72 -2.796 6.655 -8.719 1.00 0.00 N ATOM 0 H ASN A 72 -0.310 5.871 -9.549 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.579 6.494 -12.372 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.874 6.405 -11.970 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.259 5.270 -10.786 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.223 7.147 -7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.254 5.807 -8.555 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.503 8.827 -10.076 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.400 10.269 -9.863 1.00 0.00 C ATOM 1078 C LYS A 73 0.576 10.911 -10.847 1.00 0.00 C ATOM 1079 O LYS A 73 0.295 11.971 -11.406 1.00 0.00 O ATOM 1080 CB LYS A 73 0.032 10.572 -8.426 1.00 0.00 C ATOM 1081 CG LYS A 73 1.098 9.630 -7.893 1.00 0.00 C ATOM 1082 CD LYS A 73 1.672 10.126 -6.576 1.00 0.00 C ATOM 1083 CE LYS A 73 3.165 9.856 -6.481 1.00 0.00 C ATOM 1084 NZ LYS A 73 3.861 10.871 -5.643 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.366 8.266 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.388 10.697 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.407 11.594 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.842 10.522 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.671 8.637 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.899 9.533 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.488 11.196 -6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.159 9.637 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.328 8.864 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.598 9.853 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.877 10.651 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.727 11.815 -6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.466 10.857 -4.681 1.00 0.00 H new ATOM 1098 N ASN A 74 1.721 10.266 -11.055 1.00 0.00 N ATOM 1099 CA ASN A 74 2.730 10.785 -11.974 1.00 0.00 C ATOM 1100 C ASN A 74 3.914 9.829 -12.098 1.00 0.00 C ATOM 1101 O ASN A 74 4.486 9.672 -13.177 1.00 0.00 O ATOM 1102 CB ASN A 74 3.214 12.165 -11.510 1.00 0.00 C ATOM 1103 CG ASN A 74 4.158 12.089 -10.323 1.00 0.00 C ATOM 1104 OD1 ASN A 74 5.315 12.499 -10.410 1.00 0.00 O ATOM 1105 ND2 ASN A 74 3.667 11.563 -9.207 1.00 0.00 N ATOM 0 H ASN A 74 1.973 9.387 -10.602 1.00 0.00 H new ATOM 0 HA ASN A 74 2.268 10.880 -12.957 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.717 12.665 -12.337 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.352 12.777 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.255 11.486 -8.377 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.701 11.236 -9.179 1.00 0.00 H new ATOM 1112 N ASN A 75 4.282 9.198 -10.986 1.00 0.00 N ATOM 1113 CA ASN A 75 5.404 8.263 -10.965 1.00 0.00 C ATOM 1114 C ASN A 75 5.340 7.289 -12.140 1.00 0.00 C ATOM 1115 O ASN A 75 4.334 7.216 -12.845 1.00 0.00 O ATOM 1116 CB ASN A 75 5.424 7.487 -9.645 1.00 0.00 C ATOM 1117 CG ASN A 75 6.812 7.411 -9.040 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.221 8.292 -8.284 1.00 0.00 O ATOM 1119 ND2 ASN A 75 7.544 6.354 -9.372 1.00 0.00 N ATOM 0 H ASN A 75 3.818 9.318 -10.085 1.00 0.00 H new ATOM 0 HA ASN A 75 6.322 8.844 -11.055 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.747 7.964 -8.936 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.049 6.478 -9.814 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.486 6.248 -8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.164 5.648 -10.002 1.00 0.00 H new ATOM 1126 N ALA A 76 6.424 6.547 -12.346 1.00 0.00 N ATOM 1127 CA ALA A 76 6.496 5.581 -13.436 1.00 0.00 C ATOM 1128 C ALA A 76 5.368 4.559 -13.346 1.00 0.00 C ATOM 1129 O ALA A 76 4.488 4.663 -12.491 1.00 0.00 O ATOM 1130 CB ALA A 76 7.846 4.879 -13.430 1.00 0.00 C ATOM 0 H ALA A 76 7.265 6.597 -11.771 1.00 0.00 H new ATOM 0 HA ALA A 76 6.382 6.124 -14.374 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.886 4.161 -14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.640 5.616 -13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.981 4.357 -12.483 1.00 0.00 H new ATOM 1136 N LEU A 77 5.399 3.572 -14.236 1.00 0.00 N ATOM 1137 CA LEU A 77 4.380 2.529 -14.259 1.00 0.00 C ATOM 1138 C LEU A 77 5.003 1.153 -14.049 1.00 0.00 C ATOM 1139 O LEU A 77 5.326 0.453 -15.008 1.00 0.00 O ATOM 1140 CB LEU A 77 3.618 2.562 -15.586 1.00 0.00 C ATOM 1141 CG LEU A 77 2.112 2.318 -15.474 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.835 1.017 -14.737 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.434 3.485 -14.772 1.00 0.00 C ATOM 0 H LEU A 77 6.119 3.473 -14.951 1.00 0.00 H new ATOM 0 HA LEU A 77 3.683 2.718 -13.443 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.780 3.532 -16.056 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.044 1.811 -16.251 1.00 0.00 H new ATOM 0 HG LEU A 77 1.701 2.236 -16.480 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.759 0.860 -14.667 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.288 0.188 -15.280 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.260 1.069 -13.735 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.363 3.294 -14.701 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.850 3.598 -13.771 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.603 4.399 -15.341 1.00 0.00 H new ATOM 1155 N LEU A 78 5.167 0.771 -12.787 1.00 0.00 N ATOM 1156 CA LEU A 78 5.750 -0.522 -12.447 1.00 0.00 C ATOM 1157 C LEU A 78 4.674 -1.488 -11.960 1.00 0.00 C ATOM 1158 O LEU A 78 3.490 -1.153 -11.945 1.00 0.00 O ATOM 1159 CB LEU A 78 6.831 -0.356 -11.376 1.00 0.00 C ATOM 1160 CG LEU A 78 6.544 0.719 -10.325 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.261 0.399 -9.574 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.714 0.849 -9.360 1.00 0.00 C ATOM 0 H LEU A 78 4.904 1.339 -11.982 1.00 0.00 H new ATOM 0 HA LEU A 78 6.206 -0.936 -13.346 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.967 -1.311 -10.869 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.774 -0.119 -11.868 1.00 0.00 H new ATOM 0 HG LEU A 78 6.414 1.674 -10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.072 1.173 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.428 0.359 -10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.362 -0.565 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.492 1.618 -8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.877 -0.103 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.612 1.126 -9.912 1.00 0.00 H new ATOM 1174 N GLU A 79 5.090 -2.687 -11.565 1.00 0.00 N ATOM 1175 CA GLU A 79 4.153 -3.695 -11.082 1.00 0.00 C ATOM 1176 C GLU A 79 4.703 -4.419 -9.857 1.00 0.00 C ATOM 1177 O GLU A 79 5.859 -4.842 -9.839 1.00 0.00 O ATOM 1178 CB GLU A 79 3.847 -4.706 -12.189 1.00 0.00 C ATOM 1179 CG GLU A 79 5.089 -5.330 -12.804 1.00 0.00 C ATOM 1180 CD GLU A 79 4.979 -5.483 -14.309 1.00 0.00 C ATOM 1181 OE1 GLU A 79 4.599 -4.501 -14.980 1.00 0.00 O1- ATOM 1182 OE2 GLU A 79 5.272 -6.587 -14.816 1.00 0.00 O ATOM 0 H GLU A 79 6.066 -2.984 -11.570 1.00 0.00 H new ATOM 0 HA GLU A 79 3.233 -3.186 -10.794 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.216 -5.497 -11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.273 -4.211 -12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.956 -4.714 -12.567 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.261 -6.308 -12.354 1.00 0.00 H new ATOM 1189 N PHE A 80 3.863 -4.560 -8.836 1.00 0.00 N ATOM 1190 CA PHE A 80 4.258 -5.237 -7.606 1.00 0.00 C ATOM 1191 C PHE A 80 4.188 -6.754 -7.780 1.00 0.00 C ATOM 1192 O PHE A 80 3.371 -7.261 -8.548 1.00 0.00 O ATOM 1193 CB PHE A 80 3.367 -4.782 -6.440 1.00 0.00 C ATOM 1194 CG PHE A 80 2.241 -5.726 -6.120 1.00 0.00 C ATOM 1195 CD1 PHE A 80 1.086 -5.735 -6.885 1.00 0.00 C ATOM 1196 CD2 PHE A 80 2.345 -6.608 -5.057 1.00 0.00 C ATOM 1197 CE1 PHE A 80 0.055 -6.607 -6.595 1.00 0.00 C ATOM 1198 CE2 PHE A 80 1.317 -7.482 -4.762 1.00 0.00 C ATOM 1199 CZ PHE A 80 0.170 -7.482 -5.532 1.00 0.00 C ATOM 0 H PHE A 80 2.904 -4.214 -8.837 1.00 0.00 H new ATOM 0 HA PHE A 80 5.290 -4.970 -7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.986 -4.658 -5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.950 -3.803 -6.677 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.991 -5.053 -7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.240 -6.612 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.840 -6.605 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.410 -8.165 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 80 -0.635 -8.165 -5.303 1.00 0.00 H new ATOM 1209 N VAL A 81 5.048 -7.471 -7.065 1.00 0.00 N ATOM 1210 CA VAL A 81 5.077 -8.924 -7.146 1.00 0.00 C ATOM 1211 C VAL A 81 4.422 -9.554 -5.923 1.00 0.00 C ATOM 1212 O VAL A 81 3.742 -10.574 -6.028 1.00 0.00 O ATOM 1213 CB VAL A 81 6.519 -9.453 -7.273 1.00 0.00 C ATOM 1214 CG1 VAL A 81 7.075 -9.162 -8.658 1.00 0.00 C ATOM 1215 CG2 VAL A 81 7.406 -8.848 -6.196 1.00 0.00 C ATOM 0 H VAL A 81 5.733 -7.069 -6.424 1.00 0.00 H new ATOM 0 HA VAL A 81 4.518 -9.202 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 81 6.504 -10.534 -7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.094 -9.543 -8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.453 -9.648 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.077 -8.086 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.420 -9.233 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.417 -7.763 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.017 -9.114 -5.213 1.00 0.00 H new ATOM 1225 N ARG A 82 4.630 -8.935 -4.763 1.00 0.00 N ATOM 1226 CA ARG A 82 4.060 -9.430 -3.513 1.00 0.00 C ATOM 1227 C ARG A 82 4.565 -8.619 -2.326 1.00 0.00 C ATOM 1228 O ARG A 82 5.531 -7.866 -2.442 1.00 0.00 O ATOM 1229 CB ARG A 82 4.406 -10.903 -3.312 1.00 0.00 C ATOM 1230 CG ARG A 82 5.887 -11.181 -3.432 1.00 0.00 C ATOM 1231 CD ARG A 82 6.158 -12.626 -3.820 1.00 0.00 C ATOM 1232 NE ARG A 82 7.361 -12.756 -4.640 1.00 0.00 N ATOM 1233 CZ ARG A 82 8.596 -12.575 -4.177 1.00 0.00 C ATOM 1234 NH1 ARG A 82 8.795 -12.256 -2.905 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 9.634 -12.713 -4.990 1.00 0.00 N ATOM 0 H ARG A 82 5.190 -8.088 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 82 2.977 -9.323 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.060 -11.221 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.868 -11.501 -4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.323 -10.516 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.377 -10.961 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.267 -13.229 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.302 -13.021 -4.367 1.00 0.00 H new ATOM 0 HE ARG A 82 7.248 -13.000 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.999 -12.148 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.744 -12.119 -2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.486 -12.958 -5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.581 -12.575 -4.636 1.00 0.00 H new ATOM 1249 N VAL A 83 3.906 -8.778 -1.182 1.00 0.00 N ATOM 1250 CA VAL A 83 4.290 -8.061 0.025 1.00 0.00 C ATOM 1251 C VAL A 83 5.316 -8.850 0.834 1.00 0.00 C ATOM 1252 O VAL A 83 5.240 -10.075 0.926 1.00 0.00 O ATOM 1253 CB VAL A 83 3.064 -7.758 0.913 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.950 -7.125 0.091 1.00 0.00 C ATOM 1255 CG2 VAL A 83 2.570 -9.020 1.609 1.00 0.00 C ATOM 0 H VAL A 83 3.104 -9.397 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 83 4.737 -7.119 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 83 3.370 -7.048 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.095 -6.919 0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.306 -6.193 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.650 -7.809 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.706 -8.779 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.286 -9.760 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.365 -9.424 2.236 1.00 0.00 H new ATOM 1265 N VAL A 84 6.273 -8.139 1.420 1.00 0.00 N ATOM 1266 CA VAL A 84 7.313 -8.772 2.222 1.00 0.00 C ATOM 1267 C VAL A 84 7.249 -8.317 3.681 1.00 0.00 C ATOM 1268 O VAL A 84 7.855 -8.936 4.556 1.00 0.00 O ATOM 1269 CB VAL A 84 8.716 -8.470 1.658 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.980 -6.971 1.644 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.786 -9.202 2.457 1.00 0.00 C ATOM 0 H VAL A 84 6.350 -7.124 1.355 1.00 0.00 H new ATOM 0 HA VAL A 84 7.134 -9.846 2.178 1.00 0.00 H new ATOM 0 HB VAL A 84 8.755 -8.830 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.975 -6.781 1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.236 -6.476 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.918 -6.581 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.768 -8.975 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.748 -8.879 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.609 -10.276 2.404 1.00 0.00 H new ATOM 1281 N LYS A 85 6.516 -7.236 3.940 1.00 0.00 N ATOM 1282 CA LYS A 85 6.385 -6.714 5.297 1.00 0.00 C ATOM 1283 C LYS A 85 5.020 -6.066 5.503 1.00 0.00 C ATOM 1284 O LYS A 85 4.412 -5.559 4.560 1.00 0.00 O ATOM 1285 CB LYS A 85 7.491 -5.696 5.587 1.00 0.00 C ATOM 1286 CG LYS A 85 8.840 -6.072 4.995 1.00 0.00 C ATOM 1287 CD LYS A 85 9.966 -5.261 5.614 1.00 0.00 C ATOM 1288 CE LYS A 85 11.249 -5.380 4.807 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.237 -6.280 5.465 1.00 0.00 N1+ ATOM 0 H LYS A 85 6.007 -6.708 3.232 1.00 0.00 H new ATOM 0 HA LYS A 85 6.480 -7.551 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.190 -4.725 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.596 -5.585 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.025 -7.134 5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.823 -5.910 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.670 -4.214 5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.144 -5.603 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.018 -5.760 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.689 -4.391 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.098 -6.335 4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.477 -5.904 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.827 -7.230 5.567 1.00 0.00 H new ATOM 1303 N ALA A 86 4.545 -6.083 6.745 1.00 0.00 N ATOM 1304 CA ALA A 86 3.253 -5.497 7.078 1.00 0.00 C ATOM 1305 C ALA A 86 3.215 -5.042 8.534 1.00 0.00 C ATOM 1306 O ALA A 86 3.691 -5.743 9.426 1.00 0.00 O ATOM 1307 CB ALA A 86 2.136 -6.493 6.805 1.00 0.00 C ATOM 0 H ALA A 86 5.037 -6.497 7.537 1.00 0.00 H new ATOM 0 HA ALA A 86 3.106 -4.621 6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.177 -6.042 7.058 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.142 -6.766 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.288 -7.386 7.411 1.00 0.00 H new ATOM 1313 N LYS A 87 2.646 -3.863 8.765 1.00 0.00 N ATOM 1314 CA LYS A 87 2.545 -3.313 10.112 1.00 0.00 C ATOM 1315 C LYS A 87 1.323 -2.408 10.239 1.00 0.00 C ATOM 1316 O LYS A 87 0.859 -1.833 9.254 1.00 0.00 O ATOM 1317 CB LYS A 87 3.812 -2.530 10.462 1.00 0.00 C ATOM 1318 CG LYS A 87 5.028 -3.412 10.690 1.00 0.00 C ATOM 1319 CD LYS A 87 5.868 -3.538 9.429 1.00 0.00 C ATOM 1320 CE LYS A 87 6.672 -4.828 9.422 1.00 0.00 C ATOM 1321 NZ LYS A 87 7.641 -4.886 10.550 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.248 -3.270 8.037 1.00 0.00 H new ATOM 0 HA LYS A 87 2.435 -4.143 10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.029 -1.827 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.628 -1.940 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.636 -2.995 11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.706 -4.401 11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.219 -3.508 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.544 -2.686 9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.993 -5.679 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.209 -4.916 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.238 -5.732 10.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.240 -4.036 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.123 -4.931 11.451 1.00 0.00 H new ATOM 1335 N GLU A 88 0.804 -2.288 11.458 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.366 -1.455 11.712 1.00 0.00 C ATOM 1337 C GLU A 88 0.013 -0.200 12.492 1.00 0.00 C ATOM 1338 O GLU A 88 0.981 -0.197 13.252 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.423 -2.247 12.483 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.702 -3.622 11.897 1.00 0.00 C ATOM 1341 CD GLU A 88 -2.203 -4.606 12.936 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -1.578 -4.703 14.012 1.00 0.00 O1- ATOM 1343 OE2 GLU A 88 -3.221 -5.280 12.672 1.00 0.00 O ATOM 0 H GLU A 88 1.175 -2.757 12.284 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.777 -1.150 10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.097 -2.361 13.517 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.351 -1.675 12.503 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.441 -3.531 11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.791 -4.011 11.442 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.760 0.864 12.299 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.512 2.127 12.984 1.00 0.00 C ATOM 1352 C GLN A 89 -1.821 2.869 13.239 1.00 0.00 C ATOM 1353 O GLN A 89 -2.802 2.681 12.519 1.00 0.00 O ATOM 1354 CB GLN A 89 0.434 3.002 12.158 1.00 0.00 C ATOM 1355 CG GLN A 89 1.888 2.897 12.586 1.00 0.00 C ATOM 1356 CD GLN A 89 2.850 3.317 11.493 1.00 0.00 C ATOM 1357 OE1 GLN A 89 2.949 4.497 11.156 1.00 0.00 O ATOM 1358 NE2 GLN A 89 3.566 2.349 10.931 1.00 0.00 N ATOM 0 H GLN A 89 -1.565 0.876 11.673 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.045 1.909 13.944 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.352 2.721 11.108 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.115 4.041 12.236 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.050 3.520 13.466 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.103 1.869 12.879 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.452 1.384 11.242 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.230 2.571 10.189 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.830 3.710 14.268 1.00 0.00 N ATOM 1368 CA VAL A 90 -3.021 4.476 14.617 1.00 0.00 C ATOM 1369 C VAL A 90 -2.727 5.972 14.649 1.00 0.00 C ATOM 1370 O VAL A 90 -1.928 6.441 15.459 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.585 4.047 15.984 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.934 4.703 16.235 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.698 2.532 16.063 1.00 0.00 C ATOM 0 H VAL A 90 -1.027 3.878 14.874 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.763 4.272 13.845 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.896 4.378 16.761 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.317 4.388 17.206 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.819 5.787 16.225 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.634 4.405 15.455 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.098 2.247 17.036 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.365 2.175 15.278 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.712 2.086 15.932 1.00 0.00 H new ATOM 1383 N VAL A 91 -3.382 6.716 13.763 1.00 0.00 N ATOM 1384 CA VAL A 91 -3.196 8.160 13.688 1.00 0.00 C ATOM 1385 C VAL A 91 -4.369 8.825 12.974 1.00 0.00 C ATOM 1386 O VAL A 91 -4.459 8.794 11.747 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.891 8.525 12.954 1.00 0.00 C ATOM 1388 CG1 VAL A 91 -0.687 8.276 13.849 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.771 7.742 11.656 1.00 0.00 C ATOM 0 H VAL A 91 -4.047 6.342 13.086 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.139 8.525 14.713 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.919 9.587 12.709 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.225 8.539 13.314 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.769 8.887 14.748 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.653 7.223 14.128 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.843 8.013 11.152 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.767 6.674 11.874 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.617 7.977 11.010 1.00 0.00 H new ATOM 1399 N SER A 92 -5.267 9.422 13.751 1.00 0.00 N ATOM 1400 CA SER A 92 -6.436 10.091 13.192 1.00 0.00 C ATOM 1401 C SER A 92 -7.306 9.106 12.417 1.00 0.00 C ATOM 1402 O SER A 92 -8.039 9.492 11.506 1.00 0.00 O ATOM 1403 CB SER A 92 -6.005 11.239 12.277 1.00 0.00 C ATOM 1404 OG SER A 92 -5.207 12.177 12.978 1.00 0.00 O ATOM 0 H SER A 92 -5.208 9.456 14.769 1.00 0.00 H new ATOM 0 HA SER A 92 -7.022 10.495 14.017 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.446 10.843 11.429 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.886 11.737 11.873 1.00 0.00 H new ATOM 0 HG SER A 92 -4.943 12.900 12.371 1.00 0.00 H new ATOM 1410 N GLY A 93 -7.220 7.831 12.783 1.00 0.00 N ATOM 1411 CA GLY A 93 -8.002 6.810 12.113 1.00 0.00 C ATOM 1412 C GLY A 93 -7.296 5.470 12.091 1.00 0.00 C ATOM 1413 O GLY A 93 -7.109 4.842 13.133 1.00 0.00 O ATOM 0 H GLY A 93 -6.621 7.487 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.964 6.704 12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.209 7.126 11.091 1.00 0.00 H new ATOM 1417 N MET A 94 -6.902 5.031 10.901 1.00 0.00 N ATOM 1418 CA MET A 94 -6.210 3.757 10.748 1.00 0.00 C ATOM 1419 C MET A 94 -5.166 3.836 9.638 1.00 0.00 C ATOM 1420 O MET A 94 -5.503 4.006 8.466 1.00 0.00 O ATOM 1421 CB MET A 94 -7.212 2.642 10.443 1.00 0.00 C ATOM 1422 CG MET A 94 -8.149 2.334 11.600 1.00 0.00 C ATOM 1423 SD MET A 94 -7.368 1.330 12.878 1.00 0.00 S ATOM 1424 CE MET A 94 -7.547 2.398 14.304 1.00 0.00 C ATOM 0 H MET A 94 -7.050 5.538 10.029 1.00 0.00 H new ATOM 0 HA MET A 94 -5.702 3.532 11.686 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.804 2.925 9.572 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.666 1.737 10.177 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.497 3.269 12.040 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.029 1.813 11.221 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.586 2.854 14.540 1.00 0.00 H new ATOM 0 HE2 MET A 94 -8.275 3.179 14.085 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.890 1.812 15.157 1.00 0.00 H new ATOM 1434 N MET A 95 -3.898 3.707 10.016 1.00 0.00 N ATOM 1435 CA MET A 95 -2.804 3.760 9.053 1.00 0.00 C ATOM 1436 C MET A 95 -2.102 2.409 8.961 1.00 0.00 C ATOM 1437 O MET A 95 -1.707 1.835 9.975 1.00 0.00 O ATOM 1438 CB MET A 95 -1.801 4.846 9.448 1.00 0.00 C ATOM 1439 CG MET A 95 -1.290 5.658 8.268 1.00 0.00 C ATOM 1440 SD MET A 95 -0.276 7.060 8.777 1.00 0.00 S ATOM 1441 CE MET A 95 -1.284 8.428 8.211 1.00 0.00 C ATOM 0 H MET A 95 -3.603 3.565 10.982 1.00 0.00 H new ATOM 0 HA MET A 95 -3.221 4.002 8.075 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.270 5.519 10.166 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.954 4.381 9.953 1.00 0.00 H new ATOM 0 HG2 MET A 95 -0.707 5.012 7.612 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.138 6.020 7.686 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.671 9.326 8.139 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.700 8.193 7.231 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.096 8.599 8.918 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.955 1.904 7.741 1.00 0.00 N ATOM 1452 CA HIS A 96 -1.304 0.617 7.523 1.00 0.00 C ATOM 1453 C HIS A 96 0.002 0.785 6.754 1.00 0.00 C ATOM 1454 O HIS A 96 0.020 1.329 5.650 1.00 0.00 O ATOM 1455 CB HIS A 96 -2.238 -0.327 6.763 1.00 0.00 C ATOM 1456 CG HIS A 96 -2.073 -1.765 7.144 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.972 -2.192 8.451 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.992 -2.881 6.379 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.834 -3.506 8.475 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.844 -3.948 7.231 1.00 0.00 N ATOM 0 H HIS A 96 -2.277 2.365 6.890 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.075 0.187 8.498 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.270 -0.028 6.944 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.058 -0.220 5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.036 -2.923 5.301 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.731 -4.115 9.361 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -1.756 -4.924 6.948 1.00 0.00 H new ATOM 1469 N TYR A 97 1.093 0.307 7.344 1.00 0.00 N ATOM 1470 CA TYR A 97 2.406 0.395 6.716 1.00 0.00 C ATOM 1471 C TYR A 97 2.884 -0.986 6.282 1.00 0.00 C ATOM 1472 O TYR A 97 3.224 -1.823 7.117 1.00 0.00 O ATOM 1473 CB TYR A 97 3.418 1.015 7.682 1.00 0.00 C ATOM 1474 CG TYR A 97 3.197 2.489 7.933 1.00 0.00 C ATOM 1475 CD1 TYR A 97 1.992 2.954 8.443 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.196 3.416 7.662 1.00 0.00 C ATOM 1477 CE1 TYR A 97 1.788 4.301 8.675 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.000 4.764 7.892 1.00 0.00 C ATOM 1479 CZ TYR A 97 2.795 5.201 8.399 1.00 0.00 C ATOM 1480 OH TYR A 97 2.596 6.543 8.629 1.00 0.00 O ATOM 0 H TYR A 97 1.093 -0.146 8.258 1.00 0.00 H new ATOM 0 HA TYR A 97 2.322 1.031 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.372 0.483 8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.422 0.870 7.284 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.201 2.252 8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.141 3.077 7.265 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.844 4.647 9.071 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.787 5.472 7.676 1.00 0.00 H new ATOM 0 HH TYR A 97 1.755 6.670 9.115 1.00 0.00 H new ATOM 1490 N LEU A 98 2.907 -1.222 4.975 1.00 0.00 N ATOM 1491 CA LEU A 98 3.342 -2.510 4.446 1.00 0.00 C ATOM 1492 C LEU A 98 4.353 -2.330 3.318 1.00 0.00 C ATOM 1493 O LEU A 98 4.235 -1.419 2.499 1.00 0.00 O ATOM 1494 CB LEU A 98 2.144 -3.336 3.958 1.00 0.00 C ATOM 1495 CG LEU A 98 1.026 -2.552 3.260 1.00 0.00 C ATOM 1496 CD1 LEU A 98 0.283 -1.666 4.250 1.00 0.00 C ATOM 1497 CD2 LEU A 98 1.585 -1.726 2.110 1.00 0.00 C ATOM 0 H LEU A 98 2.631 -0.543 4.266 1.00 0.00 H new ATOM 0 HA LEU A 98 3.828 -3.051 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.510 -4.098 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.715 -3.858 4.814 1.00 0.00 H new ATOM 0 HG LEU A 98 0.315 -3.269 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.505 -1.121 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.159 -2.284 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.980 -0.958 4.698 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.775 -1.178 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.323 -1.021 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.058 -2.387 1.384 1.00 0.00 H new ATOM 1509 N THR A 99 5.349 -3.208 3.286 1.00 0.00 N ATOM 1510 CA THR A 99 6.386 -3.154 2.263 1.00 0.00 C ATOM 1511 C THR A 99 6.216 -4.295 1.267 1.00 0.00 C ATOM 1512 O THR A 99 5.975 -5.437 1.657 1.00 0.00 O ATOM 1513 CB THR A 99 7.770 -3.225 2.909 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.799 -2.490 4.120 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.873 -2.687 2.023 1.00 0.00 C ATOM 0 H THR A 99 5.460 -3.967 3.958 1.00 0.00 H new ATOM 0 HA THR A 99 6.293 -2.209 1.728 1.00 0.00 H new ATOM 0 HB THR A 99 7.950 -4.286 3.085 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.705 -2.510 4.493 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.828 -2.767 2.542 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.912 -3.265 1.100 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.674 -1.641 1.789 1.00 0.00 H new ATOM 1523 N VAL A 100 6.337 -3.982 -0.019 1.00 0.00 N ATOM 1524 CA VAL A 100 6.189 -4.990 -1.061 1.00 0.00 C ATOM 1525 C VAL A 100 7.266 -4.842 -2.134 1.00 0.00 C ATOM 1526 O VAL A 100 7.873 -3.780 -2.279 1.00 0.00 O ATOM 1527 CB VAL A 100 4.791 -4.922 -1.718 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.709 -4.779 -0.658 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.708 -3.780 -2.724 1.00 0.00 C ATOM 0 H VAL A 100 6.536 -3.043 -0.363 1.00 0.00 H new ATOM 0 HA VAL A 100 6.303 -5.961 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 100 4.629 -5.855 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.732 -4.733 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.742 -5.637 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.876 -3.865 -0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.713 -3.758 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.900 -2.834 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.452 -3.930 -3.506 1.00 0.00 H new ATOM 1539 N GLU A 101 7.493 -5.914 -2.886 1.00 0.00 N ATOM 1540 CA GLU A 101 8.491 -5.904 -3.948 1.00 0.00 C ATOM 1541 C GLU A 101 7.869 -5.444 -5.262 1.00 0.00 C ATOM 1542 O GLU A 101 6.768 -5.863 -5.618 1.00 0.00 O ATOM 1543 CB GLU A 101 9.102 -7.297 -4.118 1.00 0.00 C ATOM 1544 CG GLU A 101 10.349 -7.520 -3.279 1.00 0.00 C ATOM 1545 CD GLU A 101 11.082 -8.794 -3.652 1.00 0.00 C ATOM 1546 OE1 GLU A 101 10.703 -9.868 -3.142 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 12.036 -8.716 -4.455 1.00 0.00 O ATOM 0 H GLU A 101 6.999 -6.800 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 101 9.279 -5.204 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.357 -8.047 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.349 -7.451 -5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.021 -6.670 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.072 -7.560 -2.226 1.00 0.00 H new ATOM 1554 N VAL A 102 8.575 -4.573 -5.974 1.00 0.00 N ATOM 1555 CA VAL A 102 8.083 -4.052 -7.243 1.00 0.00 C ATOM 1556 C VAL A 102 9.106 -4.243 -8.357 1.00 0.00 C ATOM 1557 O VAL A 102 10.313 -4.252 -8.113 1.00 0.00 O ATOM 1558 CB VAL A 102 7.732 -2.557 -7.136 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.994 -2.089 -8.380 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.907 -2.289 -5.885 1.00 0.00 C ATOM 0 H VAL A 102 9.488 -4.214 -5.695 1.00 0.00 H new ATOM 0 HA VAL A 102 7.182 -4.616 -7.485 1.00 0.00 H new ATOM 0 HB VAL A 102 8.660 -1.991 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.755 -1.030 -8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.625 -2.241 -9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.072 -2.660 -8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.669 -1.227 -5.827 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.983 -2.866 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.477 -2.582 -5.003 1.00 0.00 H new ATOM 1570 N ASN A 103 8.612 -4.394 -9.582 1.00 0.00 N ATOM 1571 CA ASN A 103 9.477 -4.583 -10.740 1.00 0.00 C ATOM 1572 C ASN A 103 9.152 -3.566 -11.829 1.00 0.00 C ATOM 1573 O ASN A 103 8.001 -3.155 -11.984 1.00 0.00 O ATOM 1574 CB ASN A 103 9.327 -6.003 -11.290 1.00 0.00 C ATOM 1575 CG ASN A 103 10.360 -6.324 -12.351 1.00 0.00 C ATOM 1576 OD1 ASN A 103 10.355 -5.743 -13.436 1.00 0.00 O ATOM 1577 ND2 ASN A 103 11.255 -7.256 -12.042 1.00 0.00 N ATOM 0 H ASN A 103 7.615 -4.389 -9.798 1.00 0.00 H new ATOM 0 HA ASN A 103 10.509 -4.433 -10.422 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.416 -6.718 -10.472 1.00 0.00 H new ATOM 0 HB3 ASN A 103 8.329 -6.123 -11.711 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.975 -7.515 -12.716 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.222 -7.712 -11.130 1.00 0.00 H new ATOM 1584 N ASP A 104 10.171 -3.162 -12.580 1.00 0.00 N ATOM 1585 CA ASP A 104 9.991 -2.191 -13.653 1.00 0.00 C ATOM 1586 C ASP A 104 10.933 -2.481 -14.818 1.00 0.00 C ATOM 1587 O ASP A 104 12.138 -2.245 -14.728 1.00 0.00 O ATOM 1588 CB ASP A 104 10.231 -0.773 -13.131 1.00 0.00 C ATOM 1589 CG ASP A 104 9.427 0.266 -13.888 1.00 0.00 C ATOM 1590 OD1 ASP A 104 9.284 0.123 -15.121 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 8.941 1.222 -13.249 1.00 0.00 O ATOM 0 H ASP A 104 11.129 -3.492 -12.466 1.00 0.00 H new ATOM 0 HA ASP A 104 8.965 -2.272 -14.011 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.971 -0.729 -12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.292 -0.535 -13.209 1.00 0.00 H new ATOM 1596 N ALA A 105 10.375 -2.992 -15.910 1.00 0.00 N ATOM 1597 CA ALA A 105 11.163 -3.313 -17.095 1.00 0.00 C ATOM 1598 C ALA A 105 12.301 -4.271 -16.759 1.00 0.00 C ATOM 1599 O ALA A 105 13.353 -4.251 -17.399 1.00 0.00 O ATOM 1600 CB ALA A 105 11.711 -2.041 -17.723 1.00 0.00 C ATOM 0 H ALA A 105 9.379 -3.193 -15.999 1.00 0.00 H new ATOM 0 HA ALA A 105 10.508 -3.808 -17.812 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.297 -2.295 -18.606 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.884 -1.392 -18.010 1.00 0.00 H new ATOM 0 HB3 ALA A 105 12.345 -1.524 -17.003 1.00 0.00 H new ATOM 1606 N GLY A 106 12.085 -5.110 -15.751 1.00 0.00 N ATOM 1607 CA GLY A 106 13.102 -6.063 -15.348 1.00 0.00 C ATOM 1608 C GLY A 106 13.770 -5.682 -14.042 1.00 0.00 C ATOM 1609 O GLY A 106 14.247 -6.546 -13.306 1.00 0.00 O ATOM 0 H GLY A 106 11.224 -5.147 -15.206 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.651 -7.050 -15.247 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.857 -6.136 -16.131 1.00 0.00 H new ATOM 1613 N LYS A 107 13.806 -4.385 -13.753 1.00 0.00 N ATOM 1614 CA LYS A 107 14.422 -3.894 -12.526 1.00 0.00 C ATOM 1615 C LYS A 107 13.582 -4.269 -11.309 1.00 0.00 C ATOM 1616 O LYS A 107 12.493 -3.732 -11.105 1.00 0.00 O ATOM 1617 CB LYS A 107 14.597 -2.375 -12.590 1.00 0.00 C ATOM 1618 CG LYS A 107 15.908 -1.941 -13.224 1.00 0.00 C ATOM 1619 CD LYS A 107 15.907 -0.455 -13.544 1.00 0.00 C ATOM 1620 CE LYS A 107 15.834 0.387 -12.281 1.00 0.00 C ATOM 1621 NZ LYS A 107 17.063 0.251 -11.451 1.00 0.00 N1+ ATOM 0 H LYS A 107 13.416 -3.656 -14.351 1.00 0.00 H new ATOM 0 HA LYS A 107 15.402 -4.362 -12.428 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.770 -1.946 -13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 107 14.539 -1.968 -11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.733 -2.168 -12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 107 16.078 -2.511 -14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.809 -0.201 -14.100 1.00 0.00 H new ATOM 0 HD3 LYS A 107 15.059 -0.221 -14.188 1.00 0.00 H new ATOM 0 HE2 LYS A 107 15.692 1.434 -12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.965 0.088 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.075 0.994 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.071 -0.682 -10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.903 0.346 -12.057 1.00 0.00 H new ATOM 1635 N LYS A 108 14.094 -5.195 -10.506 1.00 0.00 N ATOM 1636 CA LYS A 108 13.391 -5.644 -9.309 1.00 0.00 C ATOM 1637 C LYS A 108 13.934 -4.948 -8.065 1.00 0.00 C ATOM 1638 O LYS A 108 15.142 -4.755 -7.928 1.00 0.00 O ATOM 1639 CB LYS A 108 13.520 -7.161 -9.158 1.00 0.00 C ATOM 1640 CG LYS A 108 12.799 -7.715 -7.940 1.00 0.00 C ATOM 1641 CD LYS A 108 11.425 -8.253 -8.304 1.00 0.00 C ATOM 1642 CE LYS A 108 10.576 -8.495 -7.066 1.00 0.00 C ATOM 1643 NZ LYS A 108 10.585 -9.927 -6.657 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.994 -5.650 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 108 12.338 -5.384 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.125 -7.642 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.576 -7.423 -9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.396 -8.510 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.697 -6.932 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.919 -7.546 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.533 -9.184 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.947 -7.881 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.551 -8.180 -7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.080 -10.033 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 10.115 -10.499 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.567 -10.250 -6.544 1.00 0.00 H new ATOM 1657 N LYS A 109 13.034 -4.576 -7.161 1.00 0.00 N ATOM 1658 CA LYS A 109 13.426 -3.903 -5.928 1.00 0.00 C ATOM 1659 C LYS A 109 12.319 -3.989 -4.882 1.00 0.00 C ATOM 1660 O LYS A 109 11.216 -4.455 -5.167 1.00 0.00 O ATOM 1661 CB LYS A 109 13.765 -2.437 -6.206 1.00 0.00 C ATOM 1662 CG LYS A 109 15.223 -2.209 -6.571 1.00 0.00 C ATOM 1663 CD LYS A 109 15.632 -0.761 -6.352 1.00 0.00 C ATOM 1664 CE LYS A 109 17.125 -0.567 -6.559 1.00 0.00 C ATOM 1665 NZ LYS A 109 17.870 -0.580 -5.269 1.00 0.00 N1+ ATOM 0 H LYS A 109 12.030 -4.729 -7.259 1.00 0.00 H new ATOM 0 HA LYS A 109 14.310 -4.407 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.135 -2.075 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.522 -1.843 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.856 -2.862 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.385 -2.480 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.082 -0.118 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.361 -0.454 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 109 17.507 -1.356 -7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.301 0.379 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 18.867 -0.818 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.812 0.359 -4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.452 -1.290 -4.634 1.00 0.00 H new ATOM 1679 N LEU A 110 12.623 -3.534 -3.671 1.00 0.00 N ATOM 1680 CA LEU A 110 11.657 -3.554 -2.579 1.00 0.00 C ATOM 1681 C LEU A 110 11.293 -2.135 -2.155 1.00 0.00 C ATOM 1682 O LEU A 110 12.158 -1.357 -1.755 1.00 0.00 O ATOM 1683 CB LEU A 110 12.225 -4.331 -1.386 1.00 0.00 C ATOM 1684 CG LEU A 110 11.425 -4.214 -0.087 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.951 -4.488 -0.340 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.973 -5.169 0.963 1.00 0.00 C ATOM 0 H LEU A 110 13.533 -3.146 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 110 10.753 -4.052 -2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.292 -5.384 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.242 -3.985 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 110 11.525 -3.195 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.399 -4.400 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.565 -3.765 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.831 -5.495 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 110 11.393 -5.073 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.904 -6.193 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 110 13.016 -4.927 1.166 1.00 0.00 H new ATOM 1698 N TYR A 111 10.009 -1.802 -2.247 1.00 0.00 N ATOM 1699 CA TYR A 111 9.538 -0.472 -1.874 1.00 0.00 C ATOM 1700 C TYR A 111 8.498 -0.550 -0.761 1.00 0.00 C ATOM 1701 O TYR A 111 7.719 -1.501 -0.689 1.00 0.00 O ATOM 1702 CB TYR A 111 8.948 0.244 -3.092 1.00 0.00 C ATOM 1703 CG TYR A 111 9.817 0.168 -4.330 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.205 0.160 -4.235 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.247 0.109 -5.596 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.996 0.094 -5.366 1.00 0.00 C ATOM 1707 CE2 TYR A 111 10.033 0.042 -6.730 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.406 0.036 -6.610 1.00 0.00 C ATOM 1709 OH TYR A 111 12.191 -0.030 -7.738 1.00 0.00 O ATOM 0 H TYR A 111 9.278 -2.433 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 111 10.392 0.096 -1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.973 -0.188 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.782 1.292 -2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.671 0.206 -3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.172 0.116 -5.695 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.072 0.088 -5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.574 -0.005 -7.706 1.00 0.00 H new ATOM 0 HH TYR A 111 11.619 -0.066 -8.533 1.00 0.00 H new ATOM 1719 N GLU A 112 8.493 0.459 0.107 1.00 0.00 N ATOM 1720 CA GLU A 112 7.552 0.509 1.219 1.00 0.00 C ATOM 1721 C GLU A 112 6.387 1.445 0.906 1.00 0.00 C ATOM 1722 O GLU A 112 6.565 2.482 0.266 1.00 0.00 O ATOM 1723 CB GLU A 112 8.262 0.968 2.495 1.00 0.00 C ATOM 1724 CG GLU A 112 7.810 0.227 3.743 1.00 0.00 C ATOM 1725 CD GLU A 112 7.414 1.163 4.868 1.00 0.00 C ATOM 1726 OE1 GLU A 112 6.490 1.979 4.664 1.00 0.00 O ATOM 1727 OE2 GLU A 112 8.027 1.080 5.953 1.00 0.00 O1- ATOM 0 H GLU A 112 9.132 1.253 0.060 1.00 0.00 H new ATOM 0 HA GLU A 112 7.156 -0.495 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.337 0.833 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.089 2.035 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.964 -0.413 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.614 -0.425 4.084 1.00 0.00 H new ATOM 1734 N ALA A 113 5.196 1.071 1.363 1.00 0.00 N ATOM 1735 CA ALA A 113 4.000 1.874 1.133 1.00 0.00 C ATOM 1736 C ALA A 113 3.183 2.024 2.412 1.00 0.00 C ATOM 1737 O ALA A 113 2.991 1.059 3.154 1.00 0.00 O ATOM 1738 CB ALA A 113 3.152 1.251 0.035 1.00 0.00 C ATOM 0 H ALA A 113 5.033 0.216 1.895 1.00 0.00 H new ATOM 0 HA ALA A 113 4.315 2.868 0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.262 1.860 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.731 1.201 -0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.854 0.245 0.332 1.00 0.00 H new ATOM 1744 N LYS A 114 2.699 3.237 2.664 1.00 0.00 N ATOM 1745 CA LYS A 114 1.895 3.504 3.853 1.00 0.00 C ATOM 1746 C LYS A 114 0.541 4.094 3.472 1.00 0.00 C ATOM 1747 O LYS A 114 0.466 5.177 2.892 1.00 0.00 O ATOM 1748 CB LYS A 114 2.632 4.453 4.800 1.00 0.00 C ATOM 1749 CG LYS A 114 3.069 5.747 4.141 1.00 0.00 C ATOM 1750 CD LYS A 114 4.325 6.308 4.788 1.00 0.00 C ATOM 1751 CE LYS A 114 5.574 5.604 4.283 1.00 0.00 C ATOM 1752 NZ LYS A 114 6.818 6.277 4.749 1.00 0.00 N1+ ATOM 0 H LYS A 114 2.849 4.048 2.064 1.00 0.00 H new ATOM 0 HA LYS A 114 1.729 2.556 4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.984 4.686 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.509 3.945 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.252 5.572 3.081 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.265 6.480 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.398 7.375 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.257 6.200 5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.571 4.569 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.561 5.579 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.647 5.766 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.834 7.257 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.843 6.278 5.789 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.526 3.372 3.799 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.879 3.821 3.488 1.00 0.00 C ATOM 1768 C VAL A 115 -2.607 4.291 4.743 1.00 0.00 C ATOM 1769 O VAL A 115 -2.345 3.806 5.844 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.702 2.703 2.821 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -4.034 3.244 2.323 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.917 2.068 1.684 1.00 0.00 C ATOM 0 H VAL A 115 -0.480 2.473 4.279 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.782 4.656 2.794 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.905 1.933 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.601 2.440 1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.600 3.646 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.856 4.034 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.514 1.280 1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.680 2.826 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.993 1.642 2.074 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.521 5.241 4.570 1.00 0.00 N ATOM 1783 CA TRP A 116 -4.287 5.779 5.689 1.00 0.00 C ATOM 1784 C TRP A 116 -5.785 5.714 5.407 1.00 0.00 C ATOM 1785 O TRP A 116 -6.222 5.895 4.270 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.871 7.224 5.968 1.00 0.00 C ATOM 1787 CG TRP A 116 -4.544 7.820 7.167 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.605 7.288 8.424 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -5.250 9.065 7.222 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -5.307 8.127 9.256 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.712 9.225 8.542 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -5.535 10.060 6.283 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -6.443 10.340 8.944 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -6.261 11.166 6.683 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -6.708 11.298 8.004 1.00 0.00 C ATOM 0 H TRP A 116 -3.749 5.654 3.666 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.076 5.170 6.568 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.791 7.261 6.112 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.098 7.834 5.094 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -4.166 6.347 8.720 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -5.496 7.960 10.244 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -5.194 9.966 5.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.789 10.445 9.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -6.487 11.941 5.966 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -7.273 12.174 8.286 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.565 5.455 6.453 1.00 0.00 N ATOM 1807 CA GLU A 117 -8.015 5.364 6.325 1.00 0.00 C ATOM 1808 C GLU A 117 -8.697 5.686 7.652 1.00 0.00 C ATOM 1809 O GLU A 117 -8.405 5.068 8.676 1.00 0.00 O ATOM 1810 CB GLU A 117 -8.419 3.964 5.855 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.923 3.756 5.773 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.308 2.662 4.795 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -9.496 2.357 3.897 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -11.421 2.112 4.928 1.00 0.00 O ATOM 0 H GLU A 117 -6.216 5.304 7.399 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.338 6.095 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.982 3.780 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.996 3.226 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.306 3.505 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.399 4.690 5.474 1.00 0.00 H new ATOM 1821 N GLN A 118 -9.603 6.658 7.628 1.00 0.00 N ATOM 1822 CA GLN A 118 -10.324 7.062 8.827 1.00 0.00 C ATOM 1823 C GLN A 118 -11.716 6.439 8.863 1.00 0.00 C ATOM 1824 O GLN A 118 -12.135 5.775 7.916 1.00 0.00 O ATOM 1825 CB GLN A 118 -10.435 8.585 8.888 1.00 0.00 C ATOM 1826 CG GLN A 118 -9.182 9.310 8.424 1.00 0.00 C ATOM 1827 CD GLN A 118 -9.194 9.602 6.936 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.992 10.408 6.456 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -8.306 8.947 6.197 1.00 0.00 N ATOM 0 H GLN A 118 -9.855 7.181 6.789 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.765 6.708 9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -11.277 8.904 8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -10.658 8.883 9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -9.084 10.246 8.973 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.307 8.706 8.665 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.664 8.288 6.637 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.266 9.103 5.190 1.00 0.00 H new ATOM 1838 N VAL A 119 -12.428 6.663 9.963 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.775 6.128 10.125 1.00 0.00 C ATOM 1840 C VAL A 119 -14.803 7.253 10.209 1.00 0.00 C ATOM 1841 O VAL A 119 -15.912 7.135 9.689 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.882 5.247 11.386 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -13.578 6.059 12.636 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -15.259 4.607 11.478 1.00 0.00 C ATOM 0 H VAL A 119 -12.094 7.212 10.756 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.983 5.515 9.248 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.142 4.450 11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.659 5.419 13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.567 6.461 12.572 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -14.290 6.880 12.719 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.314 3.989 12.375 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.020 5.386 11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.431 3.986 10.599 1.00 0.00 H new ATOM 1854 N TRP A 120 -14.423 8.345 10.866 1.00 0.00 N ATOM 1855 CA TRP A 120 -15.308 9.494 11.018 1.00 0.00 C ATOM 1856 C TRP A 120 -15.250 10.399 9.790 1.00 0.00 C ATOM 1857 O TRP A 120 -16.166 11.183 9.542 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.929 10.291 12.267 1.00 0.00 C ATOM 1859 CG TRP A 120 -13.497 10.729 12.277 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.974 11.836 11.673 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -12.402 10.065 12.918 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -11.621 11.903 11.902 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -11.246 10.827 12.664 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -12.287 8.902 13.684 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.993 10.462 13.148 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -11.042 8.541 14.163 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.910 9.319 13.894 1.00 0.00 C ATOM 0 H TRP A 120 -13.508 8.458 11.302 1.00 0.00 H new ATOM 0 HA TRP A 120 -16.327 9.122 11.123 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -15.571 11.169 12.338 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -15.122 9.683 13.151 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -13.541 12.554 11.099 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -10.997 12.634 11.561 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -13.155 8.296 13.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -9.118 11.060 12.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.941 7.643 14.755 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.951 9.010 14.284 1.00 0.00 H new ATOM 1878 N MET A 121 -14.170 10.284 9.022 1.00 0.00 N ATOM 1879 CA MET A 121 -13.997 11.090 7.820 1.00 0.00 C ATOM 1880 C MET A 121 -14.420 10.308 6.581 1.00 0.00 C ATOM 1881 O MET A 121 -14.792 10.890 5.562 1.00 0.00 O ATOM 1882 CB MET A 121 -12.539 11.536 7.685 1.00 0.00 C ATOM 1883 CG MET A 121 -12.286 12.442 6.491 1.00 0.00 C ATOM 1884 SD MET A 121 -12.132 14.178 6.955 1.00 0.00 S ATOM 1885 CE MET A 121 -10.377 14.439 6.709 1.00 0.00 C ATOM 0 H MET A 121 -13.402 9.640 9.212 1.00 0.00 H new ATOM 0 HA MET A 121 -14.631 11.972 7.907 1.00 0.00 H new ATOM 0 HB2 MET A 121 -12.242 12.057 8.595 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.904 10.654 7.601 1.00 0.00 H new ATOM 0 HG2 MET A 121 -11.375 12.123 5.985 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.102 12.332 5.777 1.00 0.00 H new ATOM 0 HE1 MET A 121 -10.124 15.470 6.955 1.00 0.00 H new ATOM 0 HE2 MET A 121 -9.815 13.764 7.354 1.00 0.00 H new ATOM 0 HE3 MET A 121 -10.122 14.242 5.668 1.00 0.00 H new ATOM 1895 N ASN A 122 -14.363 8.983 6.678 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.741 8.115 5.571 1.00 0.00 C ATOM 1897 C ASN A 122 -13.830 8.340 4.368 1.00 0.00 C ATOM 1898 O ASN A 122 -14.290 8.387 3.227 1.00 0.00 O ATOM 1899 CB ASN A 122 -16.199 8.358 5.177 1.00 0.00 C ATOM 1900 CG ASN A 122 -17.164 7.510 5.984 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -18.000 6.800 5.426 1.00 0.00 O ATOM 1902 ND2 ASN A 122 -17.052 7.582 7.305 1.00 0.00 N ATOM 0 H ASN A 122 -14.057 8.487 7.515 1.00 0.00 H new ATOM 0 HA ASN A 122 -14.630 7.081 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -16.440 9.412 5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -16.327 8.141 4.117 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.674 7.035 7.900 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -16.344 8.184 7.725 1.00 0.00 H new ATOM 1909 N PHE A 123 -12.535 8.477 4.632 1.00 0.00 N ATOM 1910 CA PHE A 123 -11.558 8.695 3.572 1.00 0.00 C ATOM 1911 C PHE A 123 -10.387 7.727 3.706 1.00 0.00 C ATOM 1912 O PHE A 123 -9.914 7.458 4.811 1.00 0.00 O ATOM 1913 CB PHE A 123 -11.051 10.139 3.606 1.00 0.00 C ATOM 1914 CG PHE A 123 -11.729 11.036 2.609 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -11.902 10.629 1.296 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -12.192 12.286 2.986 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -12.525 11.452 0.377 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -12.816 13.114 2.072 1.00 0.00 C ATOM 1919 CZ PHE A 123 -12.982 12.696 0.766 1.00 0.00 C ATOM 0 H PHE A 123 -12.138 8.441 5.571 1.00 0.00 H new ATOM 0 HA PHE A 123 -12.048 8.513 2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -11.199 10.544 4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.978 10.143 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -11.546 9.657 0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -12.064 12.617 4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -12.654 11.123 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -13.173 14.086 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 123 -13.469 13.341 0.050 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.925 7.206 2.574 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.809 6.267 2.564 1.00 0.00 C ATOM 1931 C ARG A 124 -7.975 6.429 1.296 1.00 0.00 C ATOM 1932 O ARG A 124 -8.506 6.412 0.186 1.00 0.00 O ATOM 1933 CB ARG A 124 -9.325 4.830 2.681 1.00 0.00 C ATOM 1934 CG ARG A 124 -10.028 4.326 1.430 1.00 0.00 C ATOM 1935 CD ARG A 124 -9.038 3.739 0.438 1.00 0.00 C ATOM 1936 NE ARG A 124 -9.290 4.202 -0.925 1.00 0.00 N ATOM 1937 CZ ARG A 124 -10.225 3.690 -1.721 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -11.001 2.700 -1.296 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -10.387 4.169 -2.947 1.00 0.00 N ATOM 0 H ARG A 124 -10.306 7.418 1.652 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.172 6.483 3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -8.487 4.170 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -10.014 4.769 3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -10.764 3.570 1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -10.573 5.146 0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.025 4.012 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.096 2.651 0.468 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.715 4.963 -1.287 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.882 2.327 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.716 2.312 -1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -9.795 4.930 -3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.104 3.776 -3.557 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.667 6.587 1.469 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.764 6.753 0.335 1.00 0.00 C ATOM 1955 C GLN A 125 -4.317 6.493 0.743 1.00 0.00 C ATOM 1956 O GLN A 125 -4.022 6.275 1.918 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.896 8.162 -0.246 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.542 9.262 0.740 1.00 0.00 C ATOM 1959 CD GLN A 125 -6.757 9.811 1.462 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -7.893 9.609 1.032 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -6.524 10.510 2.567 1.00 0.00 N ATOM 0 H GLN A 125 -6.209 6.604 2.380 1.00 0.00 H new ATOM 0 HA GLN A 125 -6.042 6.024 -0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -5.250 8.247 -1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.920 8.310 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.833 8.874 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -5.042 10.073 0.210 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -5.566 10.653 2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.303 10.904 3.095 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.418 6.522 -0.236 1.00 0.00 N ATOM 1971 CA LEU A 126 -2.001 6.293 0.019 1.00 0.00 C ATOM 1972 C LEU A 126 -1.346 7.547 0.589 1.00 0.00 C ATOM 1973 O LEU A 126 -1.607 8.659 0.130 1.00 0.00 O ATOM 1974 CB LEU A 126 -1.289 5.869 -1.269 1.00 0.00 C ATOM 1975 CG LEU A 126 0.234 5.739 -1.159 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.717 4.477 -1.858 1.00 0.00 C ATOM 1977 CD2 LEU A 126 0.916 6.969 -1.741 1.00 0.00 C ATOM 0 H LEU A 126 -3.646 6.702 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.912 5.491 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.697 4.912 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.521 6.594 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 126 0.498 5.666 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.801 4.404 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.255 3.605 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.442 4.517 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.997 6.860 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.644 7.073 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.596 7.856 -1.194 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.497 7.360 1.593 1.00 0.00 N ATOM 1990 CA GLN A 127 0.192 8.477 2.228 1.00 0.00 C ATOM 1991 C GLN A 127 1.557 8.713 1.589 1.00 0.00 C ATOM 1992 O GLN A 127 1.819 9.785 1.045 1.00 0.00 O ATOM 1993 CB GLN A 127 0.353 8.218 3.728 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.678 8.936 4.586 1.00 0.00 C ATOM 1995 CD GLN A 127 -2.091 8.793 4.052 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -2.882 9.735 4.098 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.416 7.610 3.541 1.00 0.00 N ATOM 0 H GLN A 127 -0.269 6.446 1.985 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.413 9.372 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.283 7.146 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.351 8.530 4.037 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.637 8.542 5.601 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.422 9.994 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -1.729 6.856 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.352 7.456 3.167 1.00 0.00 H new ATOM 2006 N GLU A 128 2.425 7.709 1.663 1.00 0.00 N ATOM 2007 CA GLU A 128 3.763 7.819 1.093 1.00 0.00 C ATOM 2008 C GLU A 128 4.245 6.480 0.543 1.00 0.00 C ATOM 2009 O GLU A 128 3.775 5.417 0.953 1.00 0.00 O ATOM 2010 CB GLU A 128 4.753 8.332 2.142 1.00 0.00 C ATOM 2011 CG GLU A 128 4.166 9.364 3.093 1.00 0.00 C ATOM 2012 CD GLU A 128 3.982 10.720 2.441 1.00 0.00 C ATOM 2013 OE1 GLU A 128 4.686 11.001 1.448 1.00 0.00 O1- ATOM 2014 OE2 GLU A 128 3.135 11.501 2.923 1.00 0.00 O ATOM 0 H GLU A 128 2.227 6.814 2.110 1.00 0.00 H new ATOM 0 HA GLU A 128 3.711 8.531 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.122 7.487 2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.612 8.769 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.203 9.008 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.819 9.467 3.959 1.00 0.00 H new ATOM 2021 N PHE A 129 5.194 6.549 -0.386 1.00 0.00 N ATOM 2022 CA PHE A 129 5.763 5.356 -1.001 1.00 0.00 C ATOM 2023 C PHE A 129 7.273 5.508 -1.151 1.00 0.00 C ATOM 2024 O PHE A 129 7.748 6.267 -1.996 1.00 0.00 O ATOM 2025 CB PHE A 129 5.123 5.107 -2.368 1.00 0.00 C ATOM 2026 CG PHE A 129 5.122 3.662 -2.779 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.222 3.107 -3.413 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.019 2.859 -2.533 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.222 1.778 -3.794 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.014 1.530 -2.912 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.117 0.989 -3.544 1.00 0.00 C ATOM 0 H PHE A 129 5.587 7.425 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 129 5.558 4.502 -0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.096 5.471 -2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.655 5.689 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.089 3.719 -3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.154 3.277 -2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.086 1.357 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.149 0.915 -2.714 1.00 0.00 H new ATOM 0 HZ PHE A 129 5.115 -0.049 -3.842 1.00 0.00 H new ATOM 2041 N THR A 130 8.024 4.792 -0.321 1.00 0.00 N ATOM 2042 CA THR A 130 9.481 4.861 -0.360 1.00 0.00 C ATOM 2043 C THR A 130 10.065 3.687 -1.137 1.00 0.00 C ATOM 2044 O THR A 130 9.478 2.607 -1.186 1.00 0.00 O ATOM 2045 CB THR A 130 10.049 4.879 1.060 1.00 0.00 C ATOM 2046 OG1 THR A 130 10.014 3.583 1.632 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.306 5.812 1.992 1.00 0.00 C ATOM 0 H THR A 130 7.649 4.159 0.385 1.00 0.00 H new ATOM 0 HA THR A 130 9.760 5.783 -0.870 1.00 0.00 H new ATOM 0 HB THR A 130 11.073 5.237 0.955 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.383 3.616 2.539 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.761 5.776 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.358 6.830 1.606 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.263 5.503 2.061 1.00 0.00 H new ATOM 2055 N TYR A 131 11.227 3.909 -1.744 1.00 0.00 N ATOM 2056 CA TYR A 131 11.895 2.870 -2.520 1.00 0.00 C ATOM 2057 C TYR A 131 13.139 2.366 -1.796 1.00 0.00 C ATOM 2058 O TYR A 131 14.137 3.077 -1.685 1.00 0.00 O ATOM 2059 CB TYR A 131 12.275 3.403 -3.903 1.00 0.00 C ATOM 2060 CG TYR A 131 13.113 4.661 -3.858 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.519 5.910 -3.730 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.498 4.599 -3.945 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.281 7.062 -3.689 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.267 5.747 -3.904 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.654 6.975 -3.777 1.00 0.00 C ATOM 2066 OH TYR A 131 15.417 8.120 -3.736 1.00 0.00 O ATOM 0 H TYR A 131 11.725 4.799 -1.713 1.00 0.00 H new ATOM 0 HA TYR A 131 11.203 2.036 -2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.823 2.631 -4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.365 3.603 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.444 5.982 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.982 3.639 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.803 8.025 -3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.343 5.682 -3.971 1.00 0.00 H new ATOM 0 HH TYR A 131 16.365 7.884 -3.809 1.00 0.00 H new ATOM 2076 N LEU A 132 13.070 1.133 -1.304 1.00 0.00 N ATOM 2077 CA LEU A 132 14.189 0.531 -0.590 1.00 0.00 C ATOM 2078 C LEU A 132 15.144 -0.160 -1.558 1.00 0.00 C ATOM 2079 O LEU A 132 14.929 -0.151 -2.770 1.00 0.00 O ATOM 2080 CB LEU A 132 13.682 -0.475 0.448 1.00 0.00 C ATOM 2081 CG LEU A 132 12.338 -0.124 1.093 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.981 -1.138 2.169 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.378 1.282 1.673 1.00 0.00 C ATOM 0 H LEU A 132 12.250 0.532 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 132 14.729 1.328 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.594 -1.451 -0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.431 -0.570 1.234 1.00 0.00 H new ATOM 0 HG LEU A 132 11.567 -0.157 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.023 -0.872 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.911 -2.131 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.753 -1.139 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.415 1.516 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.160 1.341 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.587 1.998 0.878 1.00 0.00 H new ATOM 2095 N GLY A 133 16.200 -0.757 -1.015 1.00 0.00 N ATOM 2096 CA GLY A 133 17.172 -1.444 -1.845 1.00 0.00 C ATOM 2097 C GLY A 133 16.578 -2.638 -2.567 1.00 0.00 C ATOM 2098 O GLY A 133 16.376 -2.600 -3.781 1.00 0.00 O ATOM 0 H GLY A 133 16.400 -0.777 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.578 -0.746 -2.577 1.00 0.00 H new ATOM 0 HA3 GLY A 133 18.005 -1.776 -1.225 1.00 0.00 H new ATOM 2102 N ASP A 134 16.297 -3.700 -1.819 1.00 0.00 N ATOM 2103 CA ASP A 134 15.722 -4.910 -2.395 1.00 0.00 C ATOM 2104 C ASP A 134 15.420 -5.938 -1.311 1.00 0.00 C ATOM 2105 O ASP A 134 15.966 -5.873 -0.210 1.00 0.00 O ATOM 2106 CB ASP A 134 16.676 -5.509 -3.431 1.00 0.00 C ATOM 2107 CG ASP A 134 16.048 -6.654 -4.201 1.00 0.00 C ATOM 2108 OD1 ASP A 134 14.819 -6.617 -4.422 1.00 0.00 O1- ATOM 2109 OD2 ASP A 134 16.784 -7.587 -4.584 1.00 0.00 O ATOM 0 H ASP A 134 16.458 -3.747 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 134 14.786 -4.640 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.985 -4.731 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 134 17.577 -5.863 -2.930 1.00 0.00 H new ATOM 2114 N ALA A 135 14.545 -6.887 -1.629 1.00 0.00 N ATOM 2115 CA ALA A 135 14.170 -7.929 -0.682 1.00 0.00 C ATOM 2116 C ALA A 135 14.812 -9.263 -1.050 1.00 0.00 C ATOM 2117 O ALA A 135 14.492 -10.274 -0.391 1.00 0.00 O ATOM 2118 CB ALA A 135 12.656 -8.069 -0.624 1.00 0.00 C ATOM 2119 OXT ALA A 135 15.629 -9.284 -1.994 1.00 0.00 O ATOM 0 H ALA A 135 14.083 -6.955 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 135 14.536 -7.639 0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.390 -8.851 0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 135 12.215 -7.124 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 135 12.277 -8.332 -1.611 1.00 0.00 H new