USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= 0.937 K(o=2.2,f=-7.5!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -153:sc= 1.21 (180deg=-0.0773) USER MOD Set 2.1: A 73 LYS NZ :NH3+ 168:sc= -0.0741 (180deg=-1.97) USER MOD Set 2.2: A 78 ASN : amide:sc= 0.961 K(o=0.89,f=-7.6) USER MOD Set 3.1: A 64 ASN : amide:sc= 0.067! C(o=1.2!,f=-7.7!) USER MOD Set 3.2: A 67 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0) USER MOD Set 4.1: A 61 TYR OH : rot 80:sc= 0.155 USER MOD Set 4.2: A 65 LYS NZ :NH3+ -171:sc= 0.676 (180deg=0.511) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 1.21 (180deg=0.898) USER MOD Single : A 14 LYS NZ :NH3+ 145:sc= 0.186 (180deg=-3.63!) USER MOD Single : A 15 MET CE :methyl -138:sc= -0.136 (180deg=-1.39) USER MOD Single : A 16 LYS NZ :NH3+ -167:sc= -0.0214 (180deg=-0.22) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.51! K(o=-1.5!,f=-2.5) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.14) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0.481 K(o=0.48,f=-5.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= 1.24 (180deg=-0.606) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= -0.733 (180deg=-1.12!) USER MOD Single : A 72 ASN : amide:sc= -0.307 K(o=-0.31,f=-6.3!) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= 0.98 (180deg=0.676) USER MOD Single : A 86 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 2.504 10.565 5.559 1.00 0.00 N ATOM 67 CA PHE A 5 2.755 9.168 5.715 1.00 0.00 C ATOM 68 C PHE A 5 4.114 8.793 6.252 1.00 0.00 C ATOM 69 O PHE A 5 5.120 9.439 6.014 1.00 0.00 O ATOM 70 CB PHE A 5 2.430 8.472 4.425 1.00 0.00 C ATOM 71 CG PHE A 5 1.052 8.827 3.978 1.00 0.00 C ATOM 72 CD1 PHE A 5 -0.057 8.306 4.604 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.871 9.702 2.946 1.00 0.00 C ATOM 74 CE1 PHE A 5 -1.321 8.652 4.184 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.382 10.044 2.532 1.00 0.00 C ATOM 76 CZ PHE A 5 -1.470 9.522 3.137 1.00 0.00 C ATOM 0 HA PHE A 5 2.095 8.822 6.510 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.152 8.755 3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.511 7.393 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.065 7.621 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.731 10.129 2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.189 8.240 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.505 10.738 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.459 9.791 2.795 1.00 0.00 H new ATOM 86 N LYS A 6 4.090 7.730 7.020 1.00 0.00 N ATOM 87 CA LYS A 6 5.223 7.149 7.655 1.00 0.00 C ATOM 88 C LYS A 6 5.299 5.709 7.180 1.00 0.00 C ATOM 89 O LYS A 6 4.246 5.121 6.890 1.00 0.00 O ATOM 90 CB LYS A 6 5.009 7.091 9.189 1.00 0.00 C ATOM 91 CG LYS A 6 4.817 8.416 9.954 1.00 0.00 C ATOM 92 CD LYS A 6 3.514 9.185 9.647 1.00 0.00 C ATOM 93 CE LYS A 6 2.263 8.302 9.654 1.00 0.00 C ATOM 94 NZ LYS A 6 2.075 7.512 10.899 1.00 0.00 N ATOM 0 H LYS A 6 3.226 7.228 7.223 1.00 0.00 H new ATOM 0 HA LYS A 6 6.115 7.731 7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.135 6.469 9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.866 6.578 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.849 8.205 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.662 9.068 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.390 9.981 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.606 9.663 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.387 8.933 9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.312 7.617 8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.322 6.810 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.962 7.024 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.810 8.149 11.677 1.00 0.00 H new ATOM 108 N PRO A 7 6.498 5.121 7.079 1.00 0.00 N ATOM 109 CA PRO A 7 6.641 3.696 6.759 1.00 0.00 C ATOM 110 C PRO A 7 5.914 2.851 7.804 1.00 0.00 C ATOM 111 O PRO A 7 6.063 3.078 9.010 1.00 0.00 O ATOM 112 CB PRO A 7 8.154 3.459 6.849 1.00 0.00 C ATOM 113 CG PRO A 7 8.762 4.797 6.635 1.00 0.00 C ATOM 114 CD PRO A 7 7.807 5.782 7.241 1.00 0.00 C ATOM 0 HA PRO A 7 6.224 3.430 5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.433 3.049 7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.488 2.747 6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.742 4.861 7.108 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.907 4.995 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.036 5.972 8.290 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.840 6.743 6.728 1.00 0.00 H new ATOM 122 N GLY A 8 5.103 1.932 7.348 1.00 0.00 N ATOM 123 CA GLY A 8 4.361 1.093 8.242 1.00 0.00 C ATOM 124 C GLY A 8 2.896 1.474 8.333 1.00 0.00 C ATOM 125 O GLY A 8 2.079 0.667 8.775 1.00 0.00 O ATOM 0 H GLY A 8 4.942 1.748 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.442 0.058 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.807 1.146 9.235 1.00 0.00 H new ATOM 129 N ASP A 9 2.550 2.684 7.883 1.00 0.00 N ATOM 130 CA ASP A 9 1.165 3.177 8.012 1.00 0.00 C ATOM 131 C ASP A 9 0.285 2.572 6.914 1.00 0.00 C ATOM 132 O ASP A 9 0.795 2.098 5.876 1.00 0.00 O ATOM 133 CB ASP A 9 1.109 4.711 7.959 1.00 0.00 C ATOM 134 CG ASP A 9 -0.043 5.306 8.775 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.223 5.047 8.479 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.241 6.069 9.745 1.00 0.00 O ATOM 0 H ASP A 9 3.194 3.335 7.433 1.00 0.00 H new ATOM 0 HA ASP A 9 0.785 2.864 8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.052 5.115 8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.011 5.028 6.921 1.00 0.00 H new ATOM 141 N LEU A 10 -1.013 2.629 7.112 1.00 0.00 N ATOM 142 CA LEU A 10 -1.970 1.967 6.246 1.00 0.00 C ATOM 143 C LEU A 10 -2.573 2.947 5.290 1.00 0.00 C ATOM 144 O LEU A 10 -3.202 3.940 5.709 1.00 0.00 O ATOM 145 CB LEU A 10 -3.062 1.330 7.089 1.00 0.00 C ATOM 146 CG LEU A 10 -2.572 0.368 8.156 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.740 -0.280 8.870 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.653 -0.669 7.548 1.00 0.00 C ATOM 0 H LEU A 10 -1.440 3.140 7.885 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.455 1.195 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.636 2.121 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.746 0.798 6.428 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.003 0.929 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.366 -0.966 9.631 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.350 0.490 9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.346 -0.831 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.310 -1.352 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.192 -1.230 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.794 -0.173 7.095 1.00 0.00 H new ATOM 160 N ILE A 11 -2.442 2.680 4.012 1.00 0.00 N ATOM 161 CA ILE A 11 -2.873 3.624 3.024 1.00 0.00 C ATOM 162 C ILE A 11 -3.593 2.987 1.841 1.00 0.00 C ATOM 163 O ILE A 11 -3.817 1.779 1.776 1.00 0.00 O ATOM 164 CB ILE A 11 -1.668 4.521 2.517 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.501 3.698 1.938 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.148 5.382 3.626 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.662 3.212 0.519 1.00 0.00 C ATOM 0 H ILE A 11 -2.042 1.819 3.639 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.603 4.258 3.528 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.072 5.137 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.404 4.304 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.342 2.831 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.322 5.990 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.945 6.033 3.986 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.798 4.751 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.222 2.646 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.541 2.571 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.784 4.067 -0.147 1.00 0.00 H new ATOM 179 N PHE A 12 -3.982 3.831 0.957 1.00 0.00 N ATOM 180 CA PHE A 12 -4.499 3.467 -0.310 1.00 0.00 C ATOM 181 C PHE A 12 -3.540 3.931 -1.337 1.00 0.00 C ATOM 182 O PHE A 12 -3.121 5.087 -1.324 1.00 0.00 O ATOM 183 CB PHE A 12 -5.856 4.071 -0.577 1.00 0.00 C ATOM 184 CG PHE A 12 -6.954 3.430 0.181 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.453 2.212 -0.227 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.488 4.031 1.292 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.465 1.607 0.459 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.509 3.428 1.985 1.00 0.00 C ATOM 189 CZ PHE A 12 -8.995 2.219 1.568 1.00 0.00 C ATOM 0 H PHE A 12 -3.947 4.840 1.104 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.626 2.385 -0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.827 5.132 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.072 3.999 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.038 1.731 -1.100 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.103 4.984 1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.847 0.652 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.927 3.907 2.858 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.798 1.745 2.113 1.00 0.00 H new ATOM 199 N ALA A 13 -3.196 3.064 -2.200 1.00 0.00 N ATOM 200 CA ALA A 13 -2.252 3.328 -3.197 1.00 0.00 C ATOM 201 C ALA A 13 -2.951 3.443 -4.502 1.00 0.00 C ATOM 202 O ALA A 13 -3.618 2.520 -4.954 1.00 0.00 O ATOM 203 CB ALA A 13 -1.248 2.228 -3.219 1.00 0.00 C ATOM 0 H ALA A 13 -3.578 2.119 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.732 4.265 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.508 2.426 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.752 2.169 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.749 1.283 -3.429 1.00 0.00 H new ATOM 209 N LYS A 14 -2.845 4.585 -5.074 1.00 0.00 N ATOM 210 CA LYS A 14 -3.495 4.882 -6.277 1.00 0.00 C ATOM 211 C LYS A 14 -2.493 4.886 -7.431 1.00 0.00 C ATOM 212 O LYS A 14 -1.536 5.676 -7.435 1.00 0.00 O ATOM 213 CB LYS A 14 -4.183 6.236 -6.077 1.00 0.00 C ATOM 214 CG LYS A 14 -5.017 6.727 -7.223 1.00 0.00 C ATOM 215 CD LYS A 14 -4.184 7.203 -8.391 1.00 0.00 C ATOM 216 CE LYS A 14 -3.536 8.583 -8.188 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.395 8.555 -7.205 1.00 0.00 N ATOM 0 H LYS A 14 -2.287 5.353 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.241 4.132 -6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.818 6.171 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.417 6.982 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.677 5.926 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.654 7.543 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.399 6.471 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.813 7.238 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.174 8.954 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.292 9.286 -7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.663 9.230 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.744 8.818 -6.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.990 7.598 -7.170 1.00 0.00 H new ATOM 231 N MET A 15 -2.760 4.059 -8.420 1.00 0.00 N ATOM 232 CA MET A 15 -1.946 3.956 -9.619 1.00 0.00 C ATOM 233 C MET A 15 -2.780 4.327 -10.819 1.00 0.00 C ATOM 234 O MET A 15 -4.004 4.277 -10.763 1.00 0.00 O ATOM 235 CB MET A 15 -1.380 2.551 -9.824 1.00 0.00 C ATOM 236 CG MET A 15 -0.462 2.078 -8.731 1.00 0.00 C ATOM 237 SD MET A 15 0.367 0.525 -9.143 1.00 0.00 S ATOM 238 CE MET A 15 -1.038 -0.567 -9.356 1.00 0.00 C ATOM 0 H MET A 15 -3.561 3.428 -8.416 1.00 0.00 H new ATOM 0 HA MET A 15 -1.104 4.638 -9.500 1.00 0.00 H new ATOM 0 HB2 MET A 15 -2.209 1.849 -9.912 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.839 2.526 -10.770 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.287 2.845 -8.534 1.00 0.00 H new ATOM 0 HG3 MET A 15 -1.034 1.948 -7.812 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.824 -1.530 -8.891 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.917 -0.125 -8.887 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.228 -0.712 -10.419 1.00 0.00 H new ATOM 248 N LYS A 16 -2.128 4.712 -11.887 1.00 0.00 N ATOM 249 CA LYS A 16 -2.813 5.102 -13.110 1.00 0.00 C ATOM 250 C LYS A 16 -3.542 3.900 -13.726 1.00 0.00 C ATOM 251 O LYS A 16 -2.913 2.929 -14.133 1.00 0.00 O ATOM 252 CB LYS A 16 -1.790 5.680 -14.107 1.00 0.00 C ATOM 253 CG LYS A 16 -2.352 6.026 -15.484 1.00 0.00 C ATOM 254 CD LYS A 16 -1.264 6.582 -16.395 1.00 0.00 C ATOM 255 CE LYS A 16 -1.774 6.823 -17.811 1.00 0.00 C ATOM 256 NZ LYS A 16 -2.185 5.554 -18.482 1.00 0.00 N ATOM 0 H LYS A 16 -1.111 4.767 -11.941 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.556 5.864 -12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.352 6.579 -13.674 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.981 4.960 -14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.790 5.136 -15.936 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.153 6.758 -15.380 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.887 7.517 -15.981 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.426 5.886 -16.425 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.622 7.507 -17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.995 7.308 -18.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.314 5.725 -19.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.448 4.833 -18.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.079 5.218 -18.071 1.00 0.00 H new ATOM 270 N GLY A 17 -4.861 3.989 -13.795 1.00 0.00 N ATOM 271 CA GLY A 17 -5.662 2.919 -14.372 1.00 0.00 C ATOM 272 C GLY A 17 -6.181 1.974 -13.308 1.00 0.00 C ATOM 273 O GLY A 17 -6.936 1.019 -13.594 1.00 0.00 O ATOM 0 H GLY A 17 -5.399 4.788 -13.460 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.501 3.347 -14.920 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.062 2.363 -15.092 1.00 0.00 H new ATOM 277 N TYR A 18 -5.795 2.235 -12.088 1.00 0.00 N ATOM 278 CA TYR A 18 -6.173 1.429 -10.973 1.00 0.00 C ATOM 279 C TYR A 18 -6.919 2.271 -9.964 1.00 0.00 C ATOM 280 O TYR A 18 -6.707 3.479 -9.891 1.00 0.00 O ATOM 281 CB TYR A 18 -4.929 0.803 -10.314 1.00 0.00 C ATOM 282 CG TYR A 18 -4.246 -0.246 -11.161 1.00 0.00 C ATOM 283 CD1 TYR A 18 -3.349 0.103 -12.165 1.00 0.00 C ATOM 284 CD2 TYR A 18 -4.509 -1.588 -10.959 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.743 -0.862 -12.941 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.906 -2.558 -11.724 1.00 0.00 C ATOM 287 CZ TYR A 18 -3.026 -2.191 -12.715 1.00 0.00 C ATOM 288 OH TYR A 18 -2.438 -3.156 -13.483 1.00 0.00 O ATOM 0 H TYR A 18 -5.200 3.027 -11.844 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.822 0.627 -11.325 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.214 1.594 -10.087 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.221 0.355 -9.364 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.124 1.145 -12.339 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.202 -1.880 -10.184 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.051 -0.578 -13.720 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.122 -3.601 -11.548 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.746 -4.039 -13.191 1.00 0.00 H new ATOM 298 N PRO A 19 -7.830 1.667 -9.197 1.00 0.00 N ATOM 299 CA PRO A 19 -8.508 2.362 -8.133 1.00 0.00 C ATOM 300 C PRO A 19 -7.582 2.475 -6.938 1.00 0.00 C ATOM 301 O PRO A 19 -6.483 1.898 -6.946 1.00 0.00 O ATOM 302 CB PRO A 19 -9.710 1.459 -7.784 1.00 0.00 C ATOM 303 CG PRO A 19 -9.646 0.300 -8.725 1.00 0.00 C ATOM 304 CD PRO A 19 -8.254 0.268 -9.282 1.00 0.00 C ATOM 0 HA PRO A 19 -8.815 3.370 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.657 1.123 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.649 2.000 -7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.876 -0.631 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.379 0.410 -9.524 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.603 -0.386 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.239 -0.096 -10.309 1.00 0.00 H new ATOM 312 N HIS A 20 -7.985 3.238 -5.952 1.00 0.00 N ATOM 313 CA HIS A 20 -7.227 3.338 -4.727 1.00 0.00 C ATOM 314 C HIS A 20 -7.179 1.946 -4.082 1.00 0.00 C ATOM 315 O HIS A 20 -8.195 1.430 -3.642 1.00 0.00 O ATOM 316 CB HIS A 20 -7.892 4.350 -3.783 1.00 0.00 C ATOM 317 CG HIS A 20 -7.705 5.774 -4.192 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.508 6.446 -5.094 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.758 6.653 -3.820 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.015 7.680 -5.240 1.00 0.00 C ATOM 321 NE2 HIS A 20 -6.958 7.855 -4.489 1.00 0.00 N ATOM 0 H HIS A 20 -8.836 3.801 -5.973 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.214 3.685 -4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.959 4.135 -3.730 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.489 4.215 -2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.966 6.456 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.434 8.433 -5.892 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.395 8.702 -4.410 1.00 0.00 H new ATOM 329 N TRP A 21 -6.018 1.359 -4.070 1.00 0.00 N ATOM 330 CA TRP A 21 -5.830 -0.014 -3.652 1.00 0.00 C ATOM 331 C TRP A 21 -5.299 -0.035 -2.226 1.00 0.00 C ATOM 332 O TRP A 21 -4.441 0.763 -1.896 1.00 0.00 O ATOM 333 CB TRP A 21 -4.782 -0.616 -4.584 1.00 0.00 C ATOM 334 CG TRP A 21 -4.762 -2.103 -4.684 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.322 -3.008 -3.759 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.163 -2.853 -5.824 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.456 -4.280 -4.254 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.965 -4.206 -5.528 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.682 -2.501 -7.072 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.266 -5.207 -6.436 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.980 -3.498 -7.973 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.770 -4.838 -7.648 1.00 0.00 C ATOM 0 H TRP A 21 -5.155 1.823 -4.354 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.765 -0.572 -3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.938 -0.208 -5.583 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.798 -0.282 -4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.928 -2.759 -2.785 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.217 -5.139 -3.758 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.847 -1.464 -7.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.107 -6.247 -6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.381 -3.240 -8.942 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -6.012 -5.601 -8.373 1.00 0.00 H new ATOM 353 N PRO A 22 -5.794 -0.919 -1.360 1.00 0.00 N ATOM 354 CA PRO A 22 -5.296 -1.009 0.007 1.00 0.00 C ATOM 355 C PRO A 22 -3.836 -1.488 0.029 1.00 0.00 C ATOM 356 O PRO A 22 -3.515 -2.602 -0.420 1.00 0.00 O ATOM 357 CB PRO A 22 -6.222 -2.038 0.669 1.00 0.00 C ATOM 358 CG PRO A 22 -6.844 -2.804 -0.449 1.00 0.00 C ATOM 359 CD PRO A 22 -6.858 -1.895 -1.641 1.00 0.00 C ATOM 0 HA PRO A 22 -5.301 -0.048 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.662 -2.698 1.332 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.982 -1.546 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.276 -3.710 -0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.855 -3.116 -0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.663 -2.443 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.826 -1.407 -1.759 1.00 0.00 H new ATOM 367 N ALA A 23 -2.961 -0.655 0.536 1.00 0.00 N ATOM 368 CA ALA A 23 -1.570 -0.936 0.560 1.00 0.00 C ATOM 369 C ALA A 23 -0.946 -0.339 1.808 1.00 0.00 C ATOM 370 O ALA A 23 -1.570 0.444 2.511 1.00 0.00 O ATOM 371 CB ALA A 23 -0.930 -0.370 -0.684 1.00 0.00 C ATOM 0 H ALA A 23 -3.211 0.245 0.946 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.408 -2.014 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.139 -0.582 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.381 -0.827 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.085 0.708 -0.715 1.00 0.00 H new ATOM 377 N ARG A 24 0.239 -0.721 2.107 1.00 0.00 N ATOM 378 CA ARG A 24 0.916 -0.200 3.262 1.00 0.00 C ATOM 379 C ARG A 24 2.132 0.554 2.787 1.00 0.00 C ATOM 380 O ARG A 24 2.699 0.209 1.744 1.00 0.00 O ATOM 381 CB ARG A 24 1.371 -1.350 4.165 1.00 0.00 C ATOM 382 CG ARG A 24 1.897 -0.917 5.522 1.00 0.00 C ATOM 383 CD ARG A 24 2.572 -2.059 6.249 1.00 0.00 C ATOM 384 NE ARG A 24 3.762 -2.505 5.522 1.00 0.00 N ATOM 385 CZ ARG A 24 5.002 -2.526 6.020 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.231 -2.268 7.304 1.00 0.00 N ATOM 387 NH2 ARG A 24 6.011 -2.817 5.242 1.00 0.00 N ATOM 0 H ARG A 24 0.776 -1.401 1.568 1.00 0.00 H new ATOM 0 HA ARG A 24 0.245 0.451 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.533 -2.030 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.150 -1.912 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.605 -0.098 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.074 -0.536 6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.851 -1.742 7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.875 -2.889 6.359 1.00 0.00 H new ATOM 0 HE ARG A 24 3.635 -2.824 4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.453 -2.049 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.184 -2.289 7.666 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.851 -3.027 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.958 -2.834 5.620 1.00 0.00 H new ATOM 401 N VAL A 25 2.512 1.588 3.493 1.00 0.00 N ATOM 402 CA VAL A 25 3.764 2.240 3.191 1.00 0.00 C ATOM 403 C VAL A 25 4.829 1.301 3.710 1.00 0.00 C ATOM 404 O VAL A 25 4.790 0.923 4.876 1.00 0.00 O ATOM 405 CB VAL A 25 3.902 3.618 3.888 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.183 4.320 3.449 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.700 4.494 3.595 1.00 0.00 C ATOM 0 H VAL A 25 1.985 1.992 4.267 1.00 0.00 H new ATOM 0 HA VAL A 25 3.843 2.436 2.122 1.00 0.00 H new ATOM 0 HB VAL A 25 3.951 3.446 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.259 5.285 3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.044 3.705 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.163 4.472 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.820 5.455 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.618 4.652 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.796 4.006 3.960 1.00 0.00 H new ATOM 417 N ASP A 26 5.722 0.900 2.872 1.00 0.00 N ATOM 418 CA ASP A 26 6.689 -0.112 3.238 1.00 0.00 C ATOM 419 C ASP A 26 7.898 0.559 3.877 1.00 0.00 C ATOM 420 O ASP A 26 8.016 1.798 3.842 1.00 0.00 O ATOM 421 CB ASP A 26 7.087 -0.921 1.999 1.00 0.00 C ATOM 422 CG ASP A 26 7.559 -2.312 2.334 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.713 -3.161 2.746 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.758 -2.592 2.244 1.00 0.00 O ATOM 0 H ASP A 26 5.814 1.252 1.919 1.00 0.00 H new ATOM 0 HA ASP A 26 6.255 -0.802 3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.234 -0.985 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.877 -0.393 1.465 1.00 0.00 H new ATOM 429 N GLU A 27 8.779 -0.208 4.453 1.00 0.00 N ATOM 430 CA GLU A 27 9.916 0.352 5.125 1.00 0.00 C ATOM 431 C GLU A 27 11.206 0.003 4.417 1.00 0.00 C ATOM 432 O GLU A 27 11.445 -1.145 4.043 1.00 0.00 O ATOM 433 CB GLU A 27 9.977 0.017 6.648 1.00 0.00 C ATOM 434 CG GLU A 27 10.032 -1.471 7.041 1.00 0.00 C ATOM 435 CD GLU A 27 8.746 -2.214 6.785 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.845 -2.186 7.633 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.604 -2.839 5.717 1.00 0.00 O ATOM 0 H GLU A 27 8.731 -1.227 4.471 1.00 0.00 H new ATOM 0 HA GLU A 27 9.787 1.433 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.854 0.509 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.104 0.460 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.837 -1.954 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.282 -1.549 8.099 1.00 0.00 H new ATOM 597 N LYS A 39 9.562 9.032 -4.336 1.00 0.00 N ATOM 598 CA LYS A 39 8.287 8.628 -3.847 1.00 0.00 C ATOM 599 C LYS A 39 8.453 7.598 -2.741 1.00 0.00 C ATOM 600 O LYS A 39 9.561 7.083 -2.530 1.00 0.00 O ATOM 601 CB LYS A 39 7.404 8.098 -4.980 1.00 0.00 C ATOM 602 CG LYS A 39 7.009 9.151 -6.012 1.00 0.00 C ATOM 603 CD LYS A 39 5.880 8.653 -6.894 1.00 0.00 C ATOM 604 CE LYS A 39 5.330 9.759 -7.779 1.00 0.00 C ATOM 605 NZ LYS A 39 4.031 9.385 -8.412 1.00 0.00 N ATOM 0 HA LYS A 39 7.783 9.499 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.930 7.289 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.499 7.670 -4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.702 10.065 -5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.872 9.403 -6.628 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.239 7.833 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.080 8.254 -6.271 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.195 10.663 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.056 9.994 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.679 10.183 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.170 8.558 -9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.338 9.153 -7.672 1.00 0.00 H new ATOM 619 N LEU A 40 7.368 7.294 -2.066 1.00 0.00 N ATOM 620 CA LEU A 40 7.369 6.383 -0.931 1.00 0.00 C ATOM 621 C LEU A 40 7.226 4.946 -1.420 1.00 0.00 C ATOM 622 O LEU A 40 6.532 4.694 -2.417 1.00 0.00 O ATOM 623 CB LEU A 40 6.189 6.702 0.013 1.00 0.00 C ATOM 624 CG LEU A 40 6.183 8.068 0.724 1.00 0.00 C ATOM 625 CD1 LEU A 40 4.855 8.282 1.399 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.271 8.152 1.775 1.00 0.00 C ATOM 0 H LEU A 40 6.447 7.673 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 40 8.310 6.504 -0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.268 6.622 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.154 5.927 0.778 1.00 0.00 H new ATOM 0 HG LEU A 40 6.361 8.833 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.854 9.249 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.060 8.259 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.688 7.493 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.237 9.129 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.116 7.374 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.244 8.013 1.303 1.00 0.00 H new ATOM 638 N PRO A 41 7.883 3.987 -0.747 1.00 0.00 N ATOM 639 CA PRO A 41 7.744 2.578 -1.079 1.00 0.00 C ATOM 640 C PRO A 41 6.375 2.068 -0.617 1.00 0.00 C ATOM 641 O PRO A 41 6.000 2.220 0.544 1.00 0.00 O ATOM 642 CB PRO A 41 8.882 1.903 -0.298 1.00 0.00 C ATOM 643 CG PRO A 41 9.172 2.817 0.844 1.00 0.00 C ATOM 644 CD PRO A 41 8.801 4.206 0.395 1.00 0.00 C ATOM 0 HA PRO A 41 7.803 2.375 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.585 0.915 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.763 1.766 -0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.598 2.529 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.225 2.768 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.316 4.766 1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.681 4.776 0.095 1.00 0.00 H new ATOM 652 N ILE A 42 5.626 1.525 -1.520 1.00 0.00 N ATOM 653 CA ILE A 42 4.289 1.073 -1.236 1.00 0.00 C ATOM 654 C ILE A 42 4.176 -0.420 -1.466 1.00 0.00 C ATOM 655 O ILE A 42 4.488 -0.911 -2.543 1.00 0.00 O ATOM 656 CB ILE A 42 3.251 1.799 -2.139 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.333 3.329 -1.977 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.839 1.304 -1.861 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.108 3.825 -0.563 1.00 0.00 C ATOM 0 H ILE A 42 5.920 1.378 -2.486 1.00 0.00 H new ATOM 0 HA ILE A 42 4.079 1.303 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 42 3.498 1.559 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.313 3.665 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.595 3.791 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.135 1.829 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.783 0.234 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.586 1.494 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.184 4.912 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.116 3.524 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.862 3.396 0.097 1.00 0.00 H new ATOM 671 N PHE A 43 3.721 -1.109 -0.474 1.00 0.00 N ATOM 672 CA PHE A 43 3.512 -2.535 -0.540 1.00 0.00 C ATOM 673 C PHE A 43 2.040 -2.792 -0.749 1.00 0.00 C ATOM 674 O PHE A 43 1.224 -2.471 0.123 1.00 0.00 O ATOM 675 CB PHE A 43 3.977 -3.223 0.761 1.00 0.00 C ATOM 676 CG PHE A 43 3.714 -4.717 0.798 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.639 -5.607 0.293 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.530 -5.222 1.332 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.391 -6.966 0.318 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.285 -6.577 1.354 1.00 0.00 C ATOM 681 CZ PHE A 43 3.213 -7.445 0.847 1.00 0.00 C ATOM 0 H PHE A 43 3.476 -0.698 0.427 1.00 0.00 H new ATOM 0 HA PHE A 43 4.094 -2.945 -1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.045 -3.049 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.474 -2.755 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.564 -5.239 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.794 -4.541 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.123 -7.654 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.362 -6.954 1.771 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.022 -8.508 0.862 1.00 0.00 H new ATOM 691 N PHE A 44 1.698 -3.327 -1.882 1.00 0.00 N ATOM 692 CA PHE A 44 0.304 -3.651 -2.183 1.00 0.00 C ATOM 693 C PHE A 44 -0.116 -4.961 -1.560 1.00 0.00 C ATOM 694 O PHE A 44 0.550 -5.989 -1.725 1.00 0.00 O ATOM 695 CB PHE A 44 0.037 -3.740 -3.678 1.00 0.00 C ATOM 696 CG PHE A 44 0.038 -2.448 -4.410 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.106 -1.674 -4.464 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.159 -2.016 -5.069 1.00 0.00 C ATOM 699 CE1 PHE A 44 -1.121 -0.495 -5.158 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.141 -0.837 -5.763 1.00 0.00 C ATOM 701 CZ PHE A 44 0.004 -0.077 -5.807 1.00 0.00 C ATOM 0 H PHE A 44 2.356 -3.556 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.277 -2.832 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.789 -4.390 -4.125 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.930 -4.221 -3.828 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.998 -2.004 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.061 -2.609 -5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.020 0.103 -5.192 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.029 -0.504 -6.279 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.003 0.853 -6.355 1.00 0.00 H new ATOM 711 N PHE A 45 -1.228 -4.944 -0.887 1.00 0.00 N ATOM 712 CA PHE A 45 -1.768 -6.146 -0.322 1.00 0.00 C ATOM 713 C PHE A 45 -2.567 -6.888 -1.377 1.00 0.00 C ATOM 714 O PHE A 45 -3.014 -6.291 -2.368 1.00 0.00 O ATOM 715 CB PHE A 45 -2.635 -5.851 0.890 1.00 0.00 C ATOM 716 CG PHE A 45 -1.874 -5.342 2.062 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.062 -6.190 2.781 1.00 0.00 C ATOM 718 CD2 PHE A 45 -1.967 -4.027 2.444 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.354 -5.736 3.864 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.262 -3.563 3.529 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.451 -4.421 4.242 1.00 0.00 C ATOM 0 H PHE A 45 -1.782 -4.105 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.940 -6.771 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.392 -5.117 0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.162 -6.760 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.982 -7.226 2.488 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.599 -3.351 1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.279 -6.413 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.343 -2.527 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.105 -4.059 5.094 1.00 0.00 H new ATOM 731 N GLY A 46 -2.710 -8.180 -1.186 1.00 0.00 N ATOM 732 CA GLY A 46 -3.443 -9.048 -2.098 1.00 0.00 C ATOM 733 C GLY A 46 -2.694 -9.371 -3.376 1.00 0.00 C ATOM 734 O GLY A 46 -2.997 -10.354 -4.044 1.00 0.00 O ATOM 0 H GLY A 46 -2.317 -8.671 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.682 -9.979 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.390 -8.573 -2.354 1.00 0.00 H new ATOM 738 N THR A 47 -1.720 -8.567 -3.715 1.00 0.00 N ATOM 739 CA THR A 47 -0.886 -8.851 -4.849 1.00 0.00 C ATOM 740 C THR A 47 0.559 -9.011 -4.407 1.00 0.00 C ATOM 741 O THR A 47 1.339 -9.688 -5.058 1.00 0.00 O ATOM 742 CB THR A 47 -0.981 -7.701 -5.867 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.767 -6.454 -5.182 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.342 -7.676 -6.550 1.00 0.00 C ATOM 0 H THR A 47 -1.486 -7.707 -3.218 1.00 0.00 H new ATOM 0 HA THR A 47 -1.226 -9.778 -5.311 1.00 0.00 H new ATOM 0 HB THR A 47 -0.221 -7.852 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.824 -5.715 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.376 -6.852 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.503 -8.617 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.122 -7.541 -5.801 1.00 0.00 H new ATOM 752 N HIS A 48 0.888 -8.410 -3.239 1.00 0.00 N ATOM 753 CA HIS A 48 2.240 -8.455 -2.662 1.00 0.00 C ATOM 754 C HIS A 48 3.259 -7.804 -3.579 1.00 0.00 C ATOM 755 O HIS A 48 4.459 -8.116 -3.546 1.00 0.00 O ATOM 756 CB HIS A 48 2.640 -9.874 -2.225 1.00 0.00 C ATOM 757 CG HIS A 48 1.965 -10.303 -0.952 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.647 -10.791 0.130 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.654 -10.297 -0.585 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.795 -11.065 1.098 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.589 -10.775 0.688 1.00 0.00 N ATOM 0 H HIS A 48 0.220 -7.883 -2.676 1.00 0.00 H new ATOM 0 HA HIS A 48 2.224 -7.861 -1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.390 -10.578 -3.019 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.721 -9.917 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.179 -9.973 -1.191 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.051 -11.463 2.069 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.265 -10.889 1.234 1.00 0.00 H new ATOM 770 N GLU A 49 2.760 -6.862 -4.353 1.00 0.00 N ATOM 771 CA GLU A 49 3.548 -6.055 -5.240 1.00 0.00 C ATOM 772 C GLU A 49 4.095 -4.897 -4.477 1.00 0.00 C ATOM 773 O GLU A 49 3.564 -4.514 -3.442 1.00 0.00 O ATOM 774 CB GLU A 49 2.681 -5.508 -6.362 1.00 0.00 C ATOM 775 CG GLU A 49 2.208 -6.541 -7.334 1.00 0.00 C ATOM 776 CD GLU A 49 3.270 -6.965 -8.306 1.00 0.00 C ATOM 777 OE1 GLU A 49 4.155 -7.752 -7.954 1.00 0.00 O ATOM 778 OE2 GLU A 49 3.228 -6.525 -9.475 1.00 0.00 O ATOM 0 H GLU A 49 1.766 -6.636 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 49 4.349 -6.666 -5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.814 -5.012 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.244 -4.748 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.857 -7.415 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.354 -6.148 -7.886 1.00 0.00 H new ATOM 785 N THR A 50 5.104 -4.325 -4.990 1.00 0.00 N ATOM 786 CA THR A 50 5.687 -3.178 -4.364 1.00 0.00 C ATOM 787 C THR A 50 5.849 -2.091 -5.404 1.00 0.00 C ATOM 788 O THR A 50 6.263 -2.357 -6.533 1.00 0.00 O ATOM 789 CB THR A 50 7.041 -3.492 -3.725 1.00 0.00 C ATOM 790 OG1 THR A 50 6.983 -4.769 -3.069 1.00 0.00 O ATOM 791 CG2 THR A 50 7.379 -2.434 -2.686 1.00 0.00 C ATOM 0 H THR A 50 5.561 -4.623 -5.852 1.00 0.00 H new ATOM 0 HA THR A 50 5.024 -2.851 -3.563 1.00 0.00 H new ATOM 0 HB THR A 50 7.801 -3.505 -4.506 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.852 -4.968 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.344 -2.663 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.425 -1.456 -3.165 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.610 -2.424 -1.913 1.00 0.00 H new ATOM 799 N ALA A 51 5.517 -0.907 -5.033 1.00 0.00 N ATOM 800 CA ALA A 51 5.532 0.233 -5.923 1.00 0.00 C ATOM 801 C ALA A 51 6.054 1.453 -5.215 1.00 0.00 C ATOM 802 O ALA A 51 6.426 1.383 -4.055 1.00 0.00 O ATOM 803 CB ALA A 51 4.138 0.501 -6.409 1.00 0.00 C ATOM 0 H ALA A 51 5.218 -0.682 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 51 6.187 0.010 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.145 1.360 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.764 -0.373 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.490 0.711 -5.558 1.00 0.00 H new ATOM 809 N PHE A 52 6.096 2.554 -5.929 1.00 0.00 N ATOM 810 CA PHE A 52 6.527 3.824 -5.402 1.00 0.00 C ATOM 811 C PHE A 52 5.541 4.885 -5.787 1.00 0.00 C ATOM 812 O PHE A 52 5.403 5.236 -6.968 1.00 0.00 O ATOM 813 CB PHE A 52 7.926 4.194 -5.894 1.00 0.00 C ATOM 814 CG PHE A 52 9.025 3.344 -5.291 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.365 2.113 -5.835 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.702 3.779 -4.162 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.354 1.336 -5.264 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.696 3.009 -3.589 1.00 0.00 C ATOM 819 CZ PHE A 52 11.022 1.786 -4.140 1.00 0.00 C ATOM 0 H PHE A 52 5.826 2.590 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 52 6.575 3.745 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.958 4.098 -6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.119 5.241 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.850 1.758 -6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.449 4.733 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.605 0.378 -5.695 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.217 3.363 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.798 1.181 -3.694 1.00 0.00 H new ATOM 829 N LEU A 53 4.843 5.370 -4.815 1.00 0.00 N ATOM 830 CA LEU A 53 3.857 6.388 -5.015 1.00 0.00 C ATOM 831 C LEU A 53 4.155 7.520 -4.083 1.00 0.00 C ATOM 832 O LEU A 53 4.764 7.315 -3.035 1.00 0.00 O ATOM 833 CB LEU A 53 2.452 5.851 -4.793 1.00 0.00 C ATOM 834 CG LEU A 53 1.976 4.783 -5.782 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.637 4.274 -5.359 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.892 5.343 -7.203 1.00 0.00 C ATOM 0 H LEU A 53 4.940 5.069 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 53 3.898 6.738 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.398 5.435 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.755 6.688 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 53 2.699 3.967 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.298 3.514 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.711 3.839 -4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.077 5.098 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.551 4.562 -7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.188 6.175 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.876 5.692 -7.515 1.00 0.00 H new ATOM 848 N GLY A 54 3.781 8.712 -4.462 1.00 0.00 N ATOM 849 CA GLY A 54 4.102 9.840 -3.668 1.00 0.00 C ATOM 850 C GLY A 54 3.220 9.909 -2.473 1.00 0.00 C ATOM 851 O GLY A 54 2.164 9.290 -2.459 1.00 0.00 O ATOM 0 H GLY A 54 3.257 8.915 -5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.144 9.785 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.994 10.750 -4.259 1.00 0.00 H new ATOM 855 N PRO A 55 3.592 10.674 -1.459 1.00 0.00 N ATOM 856 CA PRO A 55 2.781 10.817 -0.252 1.00 0.00 C ATOM 857 C PRO A 55 1.425 11.442 -0.570 1.00 0.00 C ATOM 858 O PRO A 55 0.517 11.403 0.199 1.00 0.00 O ATOM 859 CB PRO A 55 3.609 11.763 0.628 1.00 0.00 C ATOM 860 CG PRO A 55 4.565 12.433 -0.297 1.00 0.00 C ATOM 861 CD PRO A 55 4.849 11.440 -1.377 1.00 0.00 C ATOM 0 HA PRO A 55 2.568 9.860 0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.971 12.492 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.137 11.213 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.136 13.347 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.479 12.717 0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.087 11.928 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.696 10.801 -1.126 1.00 0.00 H new ATOM 869 N LYS A 56 1.340 12.093 -1.676 1.00 0.00 N ATOM 870 CA LYS A 56 0.099 12.694 -2.097 1.00 0.00 C ATOM 871 C LYS A 56 -0.630 11.819 -3.131 1.00 0.00 C ATOM 872 O LYS A 56 -1.696 12.165 -3.601 1.00 0.00 O ATOM 873 CB LYS A 56 0.371 14.103 -2.567 1.00 0.00 C ATOM 874 CG LYS A 56 1.140 14.930 -1.513 1.00 0.00 C ATOM 875 CD LYS A 56 0.259 15.643 -0.432 1.00 0.00 C ATOM 876 CE LYS A 56 -0.557 14.725 0.525 1.00 0.00 C ATOM 877 NZ LYS A 56 0.269 13.827 1.388 1.00 0.00 N ATOM 0 H LYS A 56 2.118 12.231 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.591 12.758 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.946 14.071 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.573 14.597 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.844 14.271 -1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.729 15.687 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.909 16.273 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.439 16.305 -0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.177 15.352 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.233 14.112 -0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.192 12.848 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.263 14.130 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.073 13.877 2.369 1.00 0.00 H new ATOM 891 N ASP A 57 -0.017 10.683 -3.472 1.00 0.00 N ATOM 892 CA ASP A 57 -0.636 9.685 -4.380 1.00 0.00 C ATOM 893 C ASP A 57 -1.429 8.718 -3.573 1.00 0.00 C ATOM 894 O ASP A 57 -2.297 8.000 -4.105 1.00 0.00 O ATOM 895 CB ASP A 57 0.393 8.832 -5.152 1.00 0.00 C ATOM 896 CG ASP A 57 0.908 9.416 -6.435 1.00 0.00 C ATOM 897 OD1 ASP A 57 0.090 9.594 -7.365 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.165 9.588 -6.571 1.00 0.00 O ATOM 0 H ASP A 57 0.910 10.421 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.233 10.259 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.243 8.643 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.060 7.865 -5.373 1.00 0.00 H new ATOM 903 N ILE A 58 -1.085 8.663 -2.315 1.00 0.00 N ATOM 904 CA ILE A 58 -1.649 7.750 -1.379 1.00 0.00 C ATOM 905 C ILE A 58 -2.506 8.488 -0.383 1.00 0.00 C ATOM 906 O ILE A 58 -2.325 9.693 -0.160 1.00 0.00 O ATOM 907 CB ILE A 58 -0.540 6.963 -0.640 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.432 7.904 0.048 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.206 6.080 -1.596 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.586 7.213 0.730 1.00 0.00 C ATOM 0 H ILE A 58 -0.380 9.277 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.269 7.041 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.022 6.345 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.827 8.603 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.112 8.493 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.982 5.535 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.486 5.372 -2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.665 6.691 -2.373 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.232 7.957 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.204 6.535 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.157 6.647 -0.006 1.00 0.00 H new ATOM 922 N PHE A 59 -3.418 7.774 0.214 1.00 0.00 N ATOM 923 CA PHE A 59 -4.360 8.342 1.155 1.00 0.00 C ATOM 924 C PHE A 59 -4.528 7.378 2.302 1.00 0.00 C ATOM 925 O PHE A 59 -4.437 6.187 2.097 1.00 0.00 O ATOM 926 CB PHE A 59 -5.719 8.634 0.481 1.00 0.00 C ATOM 927 CG PHE A 59 -5.651 9.688 -0.597 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.792 11.031 -0.284 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.430 9.336 -1.913 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.713 11.998 -1.270 1.00 0.00 C ATOM 931 CE2 PHE A 59 -5.351 10.290 -2.900 1.00 0.00 C ATOM 932 CZ PHE A 59 -5.490 11.625 -2.582 1.00 0.00 C ATOM 0 H PHE A 59 -3.535 6.772 0.064 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.976 9.293 1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.106 7.711 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.431 8.952 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.965 11.325 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.317 8.294 -2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.825 13.042 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.180 9.994 -3.924 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.425 12.376 -3.355 1.00 0.00 H new ATOM 942 N PRO A 60 -4.762 7.865 3.518 1.00 0.00 N ATOM 943 CA PRO A 60 -4.847 7.013 4.709 1.00 0.00 C ATOM 944 C PRO A 60 -6.026 6.052 4.672 1.00 0.00 C ATOM 945 O PRO A 60 -7.175 6.459 4.431 1.00 0.00 O ATOM 946 CB PRO A 60 -4.985 8.013 5.840 1.00 0.00 C ATOM 947 CG PRO A 60 -5.538 9.239 5.221 1.00 0.00 C ATOM 948 CD PRO A 60 -4.988 9.287 3.839 1.00 0.00 C ATOM 0 HA PRO A 60 -3.980 6.360 4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.646 7.635 6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.021 8.211 6.308 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.628 9.211 5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.250 10.125 5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.687 9.751 3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.063 9.862 3.793 1.00 0.00 H new ATOM 956 N TYR A 61 -5.735 4.782 4.927 1.00 0.00 N ATOM 957 CA TYR A 61 -6.727 3.715 4.874 1.00 0.00 C ATOM 958 C TYR A 61 -7.845 3.933 5.865 1.00 0.00 C ATOM 959 O TYR A 61 -8.981 3.669 5.562 1.00 0.00 O ATOM 960 CB TYR A 61 -6.082 2.330 5.104 1.00 0.00 C ATOM 961 CG TYR A 61 -7.075 1.170 5.111 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.474 0.572 3.932 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.618 0.692 6.299 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.385 -0.465 3.922 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.532 -0.346 6.301 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.913 -0.919 5.106 1.00 0.00 C ATOM 967 OH TYR A 61 -9.825 -1.950 5.098 1.00 0.00 O ATOM 0 H TYR A 61 -4.800 4.462 5.178 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.153 3.739 3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.340 2.154 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.549 2.343 6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.064 0.924 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.321 1.139 7.236 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.681 -0.917 2.987 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.945 -0.705 7.232 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.353 -2.804 5.007 1.00 0.00 H new ATOM 977 N SER A 62 -7.514 4.447 7.020 1.00 0.00 N ATOM 978 CA SER A 62 -8.491 4.607 8.085 1.00 0.00 C ATOM 979 C SER A 62 -9.596 5.593 7.664 1.00 0.00 C ATOM 980 O SER A 62 -10.780 5.258 7.673 1.00 0.00 O ATOM 981 CB SER A 62 -7.793 5.059 9.383 1.00 0.00 C ATOM 982 OG SER A 62 -8.677 5.057 10.490 1.00 0.00 O ATOM 0 H SER A 62 -6.574 4.766 7.256 1.00 0.00 H new ATOM 0 HA SER A 62 -8.966 3.645 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.951 4.399 9.590 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.386 6.061 9.246 1.00 0.00 H new ATOM 0 HG SER A 62 -8.196 5.348 11.293 1.00 0.00 H new ATOM 988 N GLU A 63 -9.192 6.773 7.251 1.00 0.00 N ATOM 989 CA GLU A 63 -10.113 7.820 6.861 1.00 0.00 C ATOM 990 C GLU A 63 -10.809 7.515 5.547 1.00 0.00 C ATOM 991 O GLU A 63 -11.902 7.998 5.277 1.00 0.00 O ATOM 992 CB GLU A 63 -9.396 9.166 6.752 1.00 0.00 C ATOM 993 CG GLU A 63 -8.754 9.644 8.041 1.00 0.00 C ATOM 994 CD GLU A 63 -7.307 9.208 8.261 1.00 0.00 C ATOM 995 OE1 GLU A 63 -7.002 8.003 8.232 1.00 0.00 O ATOM 996 OE2 GLU A 63 -6.438 10.118 8.448 1.00 0.00 O ATOM 0 H GLU A 63 -8.209 7.036 7.175 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.870 7.871 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.627 9.092 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.110 9.918 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.793 10.733 8.063 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.353 9.286 8.878 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.180 6.732 4.733 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.723 6.439 3.437 1.00 0.00 C ATOM 1005 C ASN A 64 -11.303 5.030 3.368 1.00 0.00 C ATOM 1006 O ASN A 64 -11.632 4.560 2.292 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.667 6.667 2.332 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.228 8.132 2.191 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.765 8.894 1.372 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.280 8.545 2.996 1.00 0.00 N ATOM 0 H ASN A 64 -9.288 6.281 4.938 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.547 7.131 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.792 6.054 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.071 6.325 1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.966 9.515 2.959 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.856 7.897 3.660 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.473 4.379 4.520 1.00 0.00 N ATOM 1018 CA LYS A 65 -12.018 3.005 4.571 1.00 0.00 C ATOM 1019 C LYS A 65 -13.457 2.966 4.038 1.00 0.00 C ATOM 1020 O LYS A 65 -13.845 2.048 3.339 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.948 2.432 6.000 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.404 0.977 6.121 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.329 0.486 7.566 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.775 -0.976 7.713 1.00 0.00 C ATOM 1025 NZ LYS A 65 -11.849 -1.935 7.068 1.00 0.00 N ATOM 0 H LYS A 65 -11.244 4.773 5.433 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.401 2.378 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.922 2.509 6.359 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.563 3.048 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.427 0.883 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.781 0.345 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.306 0.589 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.956 1.119 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.860 -1.219 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.768 -1.092 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.276 -2.883 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.667 -1.636 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.953 -1.960 7.595 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.217 3.984 4.342 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.585 4.102 3.840 1.00 0.00 C ATOM 1041 C GLU A 66 -15.624 4.412 2.385 1.00 0.00 C ATOM 1042 O GLU A 66 -16.601 4.142 1.691 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.322 5.171 4.576 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.957 4.667 5.804 1.00 0.00 C ATOM 1045 CD GLU A 66 -17.952 3.580 5.451 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -19.070 3.902 5.038 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -17.586 2.391 5.441 1.00 0.00 O ATOM 0 H GLU A 66 -13.921 4.756 4.939 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.061 3.135 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.632 5.976 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.084 5.598 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.200 4.275 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.461 5.481 6.325 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.579 4.977 1.948 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.466 5.420 0.602 1.00 0.00 C ATOM 1056 C LYS A 67 -13.994 4.304 -0.311 1.00 0.00 C ATOM 1057 O LYS A 67 -14.666 3.946 -1.261 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.491 6.579 0.533 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.769 7.668 1.552 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.789 8.834 1.426 1.00 0.00 C ATOM 1061 CE LYS A 67 -12.711 9.420 0.016 1.00 0.00 C ATOM 1062 NZ LYS A 67 -11.590 10.388 -0.096 1.00 0.00 N ATOM 0 H LYS A 67 -13.752 5.155 2.517 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.452 5.739 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.480 6.202 0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.524 7.012 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.787 8.035 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.707 7.249 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.082 9.621 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.797 8.497 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.577 8.617 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.650 9.916 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.316 10.488 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.891 11.312 0.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.777 10.043 0.453 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.836 3.762 -0.007 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.201 2.789 -0.893 1.00 0.00 C ATOM 1078 C TYR A 68 -11.875 1.491 -0.173 1.00 0.00 C ATOM 1079 O TYR A 68 -11.345 0.561 -0.765 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.902 3.382 -1.454 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.060 4.764 -2.028 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.800 4.974 -3.174 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.484 5.860 -1.403 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.965 6.242 -3.693 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.644 7.128 -1.906 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.385 7.318 -3.050 1.00 0.00 C ATOM 1087 OH TYR A 68 -11.552 8.584 -3.550 1.00 0.00 O ATOM 0 H TYR A 68 -12.310 3.972 0.841 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.905 2.566 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.156 3.412 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.517 2.719 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.257 4.132 -3.673 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.900 5.714 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.542 6.392 -4.593 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.191 7.971 -1.406 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.081 9.226 -2.979 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.210 1.419 1.093 1.00 0.00 N ATOM 1098 CA GLY A 69 -11.848 0.261 1.889 1.00 0.00 C ATOM 1099 C GLY A 69 -12.941 -0.760 1.933 1.00 0.00 C ATOM 1100 O GLY A 69 -13.121 -1.451 2.940 1.00 0.00 O ATOM 0 H GLY A 69 -12.728 2.140 1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.946 -0.193 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.610 0.580 2.904 1.00 0.00 H new ATOM 1104 N LYS A 70 -13.680 -0.839 0.865 1.00 0.00 N ATOM 1105 CA LYS A 70 -14.752 -1.779 0.731 1.00 0.00 C ATOM 1106 C LYS A 70 -14.630 -2.530 -0.592 1.00 0.00 C ATOM 1107 O LYS A 70 -13.990 -2.035 -1.512 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.120 -1.099 0.982 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.292 -0.789 2.469 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.591 -0.089 2.843 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.649 1.320 2.304 1.00 0.00 C ATOM 1112 NZ LYS A 70 -18.712 2.114 2.967 1.00 0.00 N ATOM 0 H LYS A 70 -13.551 -0.241 0.049 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.682 -2.543 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.189 -0.179 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.926 -1.751 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.228 -1.723 3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.457 -0.167 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.435 -0.660 2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.691 -0.067 3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.685 1.807 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.831 1.292 1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.501 3.128 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.629 1.907 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.753 1.865 3.976 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.182 -3.774 -0.660 1.00 0.00 N ATOM 1127 CA PRO A 71 -15.032 -4.693 -1.799 1.00 0.00 C ATOM 1128 C PRO A 71 -15.153 -4.105 -3.185 1.00 0.00 C ATOM 1129 O PRO A 71 -15.968 -3.226 -3.462 1.00 0.00 O ATOM 1130 CB PRO A 71 -16.159 -5.661 -1.615 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.324 -5.758 -0.144 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.015 -4.394 0.395 1.00 0.00 C ATOM 0 HA PRO A 71 -14.018 -5.092 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.071 -5.305 -2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.925 -6.631 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.338 -6.060 0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.651 -6.506 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.924 -3.820 0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.481 -4.451 1.344 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.361 -4.653 -4.051 1.00 0.00 N ATOM 1141 CA ASN A 72 -14.401 -4.339 -5.442 1.00 0.00 C ATOM 1142 C ASN A 72 -14.277 -5.656 -6.142 1.00 0.00 C ATOM 1143 O ASN A 72 -14.432 -6.690 -5.504 1.00 0.00 O ATOM 1144 CB ASN A 72 -13.233 -3.449 -5.813 1.00 0.00 C ATOM 1145 CG ASN A 72 -13.477 -2.713 -7.089 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -13.039 -3.132 -8.170 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -14.259 -1.704 -6.985 1.00 0.00 N ATOM 0 H ASN A 72 -13.654 -5.346 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.314 -3.809 -5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.052 -2.734 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.332 -4.054 -5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.554 -1.199 -7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.587 -1.406 -6.066 1.00 0.00 H new ATOM 1154 N LYS A 73 -14.015 -5.671 -7.403 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.789 -6.914 -8.043 1.00 0.00 C ATOM 1156 C LYS A 73 -12.412 -7.051 -8.593 1.00 0.00 C ATOM 1157 O LYS A 73 -12.101 -8.086 -9.179 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.833 -7.278 -9.063 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.183 -7.705 -8.476 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.092 -8.791 -7.346 1.00 0.00 C ATOM 1161 CE LYS A 73 -15.334 -10.098 -7.717 1.00 0.00 C ATOM 1162 NZ LYS A 73 -13.833 -9.998 -7.589 1.00 0.00 N ATOM 0 H LYS A 73 -13.953 -4.848 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.885 -7.646 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.992 -6.423 -9.720 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.449 -8.089 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.685 -6.824 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.809 -8.090 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.604 -8.345 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.105 -9.056 -7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.689 -10.905 -7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.583 -10.371 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.415 -10.948 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.458 -9.403 -8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.590 -9.574 -6.671 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.584 -6.041 -8.378 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.183 -6.124 -8.786 1.00 0.00 C ATOM 1178 C ARG A 74 -9.511 -7.283 -8.035 1.00 0.00 C ATOM 1179 O ARG A 74 -9.656 -7.402 -6.813 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.446 -4.811 -8.470 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.839 -3.594 -9.309 1.00 0.00 C ATOM 1182 CD ARG A 74 -9.336 -3.690 -10.753 1.00 0.00 C ATOM 1183 NE ARG A 74 -9.621 -2.449 -11.515 1.00 0.00 N ATOM 1184 CZ ARG A 74 -8.714 -1.744 -12.253 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -7.471 -2.205 -12.429 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -9.068 -0.596 -12.831 1.00 0.00 N ATOM 0 H ARG A 74 -11.849 -5.164 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.137 -6.296 -9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.611 -4.570 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.376 -4.981 -8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.924 -3.494 -9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.437 -2.693 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.263 -3.879 -10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.809 -4.538 -11.248 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.576 -2.092 -11.485 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.192 -3.092 -12.010 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.802 -1.670 -12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.018 -0.242 -12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.388 -0.071 -13.382 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.846 -8.151 -8.771 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.155 -9.291 -8.187 1.00 0.00 C ATOM 1202 C LYS A 75 -6.972 -8.775 -7.390 1.00 0.00 C ATOM 1203 O LYS A 75 -6.132 -8.055 -7.923 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.714 -10.269 -9.316 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.123 -11.627 -8.864 1.00 0.00 C ATOM 1206 CD LYS A 75 -5.703 -11.516 -8.303 1.00 0.00 C ATOM 1207 CE LYS A 75 -5.159 -12.863 -7.843 1.00 0.00 C ATOM 1208 NZ LYS A 75 -6.011 -13.482 -6.804 1.00 0.00 N ATOM 0 H LYS A 75 -8.767 -8.090 -9.786 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.812 -9.844 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.577 -10.467 -9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.972 -9.763 -9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.773 -12.063 -8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.118 -12.313 -9.711 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.044 -11.101 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.699 -10.819 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.085 -13.535 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.150 -12.732 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.467 -14.208 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.326 -12.752 -6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.840 -13.922 -7.252 1.00 0.00 H new ATOM 1222 N GLY A 76 -6.930 -9.121 -6.132 1.00 0.00 N ATOM 1223 CA GLY A 76 -5.891 -8.662 -5.267 1.00 0.00 C ATOM 1224 C GLY A 76 -6.419 -7.609 -4.338 1.00 0.00 C ATOM 1225 O GLY A 76 -5.903 -7.407 -3.255 1.00 0.00 O ATOM 0 H GLY A 76 -7.616 -9.728 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.491 -9.497 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.068 -8.258 -5.857 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.472 -6.944 -4.769 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.089 -5.906 -3.991 1.00 0.00 C ATOM 1231 C PHE A 77 -8.908 -6.553 -2.899 1.00 0.00 C ATOM 1232 O PHE A 77 -8.858 -6.145 -1.758 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.970 -5.030 -4.892 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.527 -3.786 -4.253 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.627 -3.843 -3.410 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.958 -2.558 -4.517 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -11.140 -2.697 -2.842 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.467 -1.409 -3.950 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.559 -1.480 -3.112 1.00 0.00 C ATOM 0 H PHE A 77 -7.919 -7.113 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.330 -5.265 -3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.387 -4.737 -5.765 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.802 -5.634 -5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.087 -4.797 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.104 -2.496 -5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.996 -2.754 -2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.010 -0.454 -4.162 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.958 -0.580 -2.668 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.656 -7.578 -3.272 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.481 -8.338 -2.333 1.00 0.00 C ATOM 1251 C ASN A 78 -9.623 -8.975 -1.267 1.00 0.00 C ATOM 1252 O ASN A 78 -9.874 -8.813 -0.068 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.315 -9.420 -3.070 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.416 -8.851 -3.959 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.755 -9.407 -5.031 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -13.021 -7.777 -3.525 1.00 0.00 N ATOM 0 H ASN A 78 -9.712 -7.911 -4.234 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.172 -7.642 -1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.646 -10.027 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.764 -10.084 -2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.788 -7.372 -4.061 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.726 -7.344 -2.650 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.598 -9.645 -1.708 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.689 -10.346 -0.841 1.00 0.00 C ATOM 1265 C GLU A 79 -6.882 -9.354 -0.005 1.00 0.00 C ATOM 1266 O GLU A 79 -6.693 -9.537 1.202 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.737 -11.246 -1.659 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.425 -12.155 -2.695 1.00 0.00 C ATOM 1269 CD GLU A 79 -7.620 -11.496 -4.063 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.399 -10.526 -4.196 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -6.989 -11.953 -5.034 1.00 0.00 O ATOM 0 H GLU A 79 -8.364 -9.722 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.274 -10.978 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.018 -10.611 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.171 -11.872 -0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.832 -13.061 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.397 -12.461 -2.308 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.470 -8.276 -0.640 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.650 -7.288 0.011 1.00 0.00 C ATOM 1280 C GLY A 80 -6.400 -6.478 1.011 1.00 0.00 C ATOM 1281 O GLY A 80 -5.832 -6.033 2.010 1.00 0.00 O ATOM 0 H GLY A 80 -6.694 -8.066 -1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.816 -7.785 0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.225 -6.624 -0.741 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.681 -6.283 0.757 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.544 -5.582 1.647 1.00 0.00 C ATOM 1287 C LEU A 81 -8.620 -6.332 2.957 1.00 0.00 C ATOM 1288 O LEU A 81 -8.678 -5.733 4.022 1.00 0.00 O ATOM 1289 CB LEU A 81 -9.909 -5.501 1.020 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.941 -4.681 1.732 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -10.498 -3.230 1.798 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -12.242 -4.815 1.002 1.00 0.00 C ATOM 0 H LEU A 81 -8.143 -6.617 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.166 -4.577 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.795 -5.100 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.295 -6.515 0.918 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.066 -5.036 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.255 -2.642 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.553 -3.162 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.368 -2.843 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -13.005 -4.224 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.124 -4.457 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.545 -5.862 0.987 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.583 -7.648 2.859 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.591 -8.486 4.011 1.00 0.00 C ATOM 1306 C TRP A 82 -7.257 -8.371 4.749 1.00 0.00 C ATOM 1307 O TRP A 82 -7.234 -8.150 5.962 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.881 -9.942 3.624 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.767 -10.864 4.782 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.678 -11.052 5.762 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.660 -11.710 5.089 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -9.196 -11.942 6.682 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.961 -12.370 6.286 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.442 -11.960 4.462 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -7.086 -13.272 6.879 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.568 -12.856 5.045 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.896 -13.503 6.245 1.00 0.00 C ATOM 0 H TRP A 82 -8.547 -8.152 1.973 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.387 -8.156 4.679 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.884 -10.011 3.204 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.187 -10.254 2.844 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.644 -10.571 5.812 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.681 -12.239 7.529 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.186 -11.463 3.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.336 -13.771 7.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.620 -13.061 4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -5.193 -14.199 6.678 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.153 -8.486 4.004 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.816 -8.409 4.584 1.00 0.00 C ATOM 1330 C GLU A 83 -4.609 -7.147 5.372 1.00 0.00 C ATOM 1331 O GLU A 83 -4.263 -7.208 6.521 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.705 -8.554 3.547 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.512 -9.956 3.030 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.265 -10.083 2.149 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.232 -9.516 1.038 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.297 -10.760 2.552 1.00 0.00 O ATOM 0 H GLU A 83 -6.163 -8.633 2.995 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.754 -9.260 5.262 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.923 -7.897 2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.768 -8.210 3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.431 -10.644 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.391 -10.254 2.458 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.904 -6.022 4.781 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.644 -4.743 5.423 1.00 0.00 C ATOM 1345 C ILE A 84 -5.549 -4.512 6.652 1.00 0.00 C ATOM 1346 O ILE A 84 -5.191 -3.777 7.565 1.00 0.00 O ATOM 1347 CB ILE A 84 -4.785 -3.563 4.412 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.259 -2.252 5.020 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.235 -3.405 3.962 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.224 -1.090 4.053 1.00 0.00 C ATOM 0 H ILE A 84 -5.325 -5.955 3.855 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.613 -4.775 5.776 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.180 -3.797 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.884 -1.983 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.253 -2.421 5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.309 -2.576 3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.568 -4.323 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.865 -3.202 4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.841 -0.205 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.575 -1.335 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.231 -0.891 3.687 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.689 -5.170 6.682 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.649 -4.937 7.742 1.00 0.00 C ATOM 1364 C ASP A 85 -7.460 -5.959 8.871 1.00 0.00 C ATOM 1365 O ASP A 85 -7.866 -5.738 9.998 1.00 0.00 O ATOM 1366 CB ASP A 85 -9.061 -5.006 7.153 1.00 0.00 C ATOM 1367 CG ASP A 85 -10.084 -4.155 7.884 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.769 -2.984 8.227 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -11.266 -4.547 7.963 1.00 0.00 O ATOM 0 H ASP A 85 -6.973 -5.865 5.991 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.494 -3.948 8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.023 -4.692 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.396 -6.043 7.162 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.823 -7.098 8.550 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.606 -8.163 9.554 1.00 0.00 C ATOM 1376 C ASN A 86 -5.152 -8.277 9.937 1.00 0.00 C ATOM 1377 O ASN A 86 -4.789 -8.173 11.112 1.00 0.00 O ATOM 1378 CB ASN A 86 -7.113 -9.560 9.105 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.622 -9.674 8.954 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -9.216 -10.701 9.289 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -9.230 -8.687 8.376 1.00 0.00 N ATOM 0 H ASN A 86 -6.454 -7.307 7.622 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.199 -7.854 10.415 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.647 -9.811 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.778 -10.302 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.230 -8.746 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.708 -7.851 8.112 1.00 0.00 H new ATOM 1388 N ASN A 87 -4.296 -8.495 8.962 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.869 -8.622 9.252 1.00 0.00 C ATOM 1390 C ASN A 87 -2.071 -7.628 8.410 1.00 0.00 C ATOM 1391 O ASN A 87 -1.387 -8.013 7.481 1.00 0.00 O ATOM 1392 CB ASN A 87 -2.371 -10.051 8.977 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.966 -10.303 9.510 1.00 0.00 C ATOM 1394 OD1 ASN A 87 -0.557 -9.739 10.538 1.00 0.00 O ATOM 1395 ND2 ASN A 87 -0.219 -11.137 8.828 1.00 0.00 N ATOM 0 H ASN A 87 -4.548 -8.588 7.978 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.721 -8.404 10.310 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.059 -10.764 9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.385 -10.235 7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.731 -11.341 9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.588 -11.582 7.988 1.00 0.00 H new ATOM 1402 N PRO A 88 -2.152 -6.323 8.720 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.516 -5.273 7.903 1.00 0.00 C ATOM 1404 C PRO A 88 -0.002 -5.229 8.045 1.00 0.00 C ATOM 1405 O PRO A 88 0.677 -4.485 7.354 1.00 0.00 O ATOM 1406 CB PRO A 88 -2.124 -3.993 8.444 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.481 -4.302 9.852 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.898 -5.739 9.862 1.00 0.00 C ATOM 0 HA PRO A 88 -1.689 -5.443 6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.416 -3.166 8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.003 -3.700 7.869 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.632 -4.137 10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.288 -3.658 10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.639 -6.226 10.802 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.975 -5.845 9.734 1.00 0.00 H new ATOM 1416 N LYS A 89 0.508 -6.024 8.946 1.00 0.00 N ATOM 1417 CA LYS A 89 1.926 -6.069 9.218 1.00 0.00 C ATOM 1418 C LYS A 89 2.577 -7.195 8.416 1.00 0.00 C ATOM 1419 O LYS A 89 3.708 -7.590 8.683 1.00 0.00 O ATOM 1420 CB LYS A 89 2.168 -6.258 10.731 1.00 0.00 C ATOM 1421 CG LYS A 89 1.602 -7.554 11.308 1.00 0.00 C ATOM 1422 CD LYS A 89 1.827 -7.646 12.811 1.00 0.00 C ATOM 1423 CE LYS A 89 1.328 -8.974 13.384 1.00 0.00 C ATOM 1424 NZ LYS A 89 -0.127 -9.192 13.146 1.00 0.00 N ATOM 0 H LYS A 89 -0.047 -6.662 9.516 1.00 0.00 H new ATOM 0 HA LYS A 89 2.380 -5.126 8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.241 -6.229 10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.728 -5.415 11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.534 -7.611 11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.071 -8.407 10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.890 -7.535 13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.313 -6.822 13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.892 -9.793 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.525 -8.999 14.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.512 -9.810 13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.623 -8.278 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.264 -9.641 12.218 1.00 0.00 H new