USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 762 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 29 GLN : amide:sc= -0.939 K(o=-0.94,f=-0.37) USER MOD Set 1.2: A 50 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 12 GLN : amide:sc= -0.879 K(o=-0.94,f=0.43) USER MOD Set 2.2: A 16 SER OG : rot 71:sc= -0.064 USER MOD Single : A 8 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-1.5) USER MOD Single : A 10 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.48) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 1.3 K(o=1.3,f=-5.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1.7) USER MOD Single : A 27 ASN : amide:sc=-0.00873 X(o=-0.0087,f=0) USER MOD Single : A 28 THR OG1 : rot 110:sc= -0.145 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.091) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.04 K(o=-1,f=-2.2) USER MOD Single : A 40 TYR OH : rot -134:sc= 0.0715 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 52 CYS SG : rot 92:sc= -3.23 USER MOD Single : A 54 THR OG1 : rot -64:sc= 0.152 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= -0.301 (180deg=-0.301) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -2.94 K(o=-2.9,f=-5.9!) USER MOD Single : A 68 SER OG : rot 79:sc= 0.988 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0.0924 (180deg=0.057) USER MOD Single : A 74 SER OG : rot -170:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 83 GLN : amide:sc= 0.538 K(o=0.54,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -8.284 10.730 9.394 1.00 0.00 N ATOM 69 CA HIS A 8 -7.840 10.621 8.009 1.00 0.00 C ATOM 70 C HIS A 8 -8.651 9.566 7.259 1.00 0.00 C ATOM 71 O HIS A 8 -8.418 8.368 7.417 1.00 0.00 O ATOM 72 CB HIS A 8 -6.353 10.269 7.957 1.00 0.00 C ATOM 73 CG HIS A 8 -5.462 11.351 8.485 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.745 11.253 9.656 1.00 0.00 N ATOM 75 CD2 HIS A 8 -5.180 12.577 7.975 1.00 0.00 C ATOM 76 CE1 HIS A 8 -4.064 12.396 9.819 1.00 0.00 C ATOM 77 NE2 HIS A 8 -4.293 13.233 8.824 1.00 0.00 N ATOM 0 HA HIS A 8 -7.996 11.585 7.525 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.184 9.358 8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.075 10.052 6.925 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.580 12.980 7.056 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.413 12.605 10.655 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.901 14.167 8.703 1.00 0.00 H new ATOM 85 N PRO A 9 -9.621 9.994 6.431 1.00 0.00 N ATOM 86 CA PRO A 9 -10.466 9.074 5.661 1.00 0.00 C ATOM 87 C PRO A 9 -9.656 8.025 4.904 1.00 0.00 C ATOM 88 O PRO A 9 -10.161 6.947 4.590 1.00 0.00 O ATOM 89 CB PRO A 9 -11.191 9.997 4.681 1.00 0.00 C ATOM 90 CG PRO A 9 -11.238 11.316 5.372 1.00 0.00 C ATOM 91 CD PRO A 9 -9.973 11.406 6.180 1.00 0.00 C ATOM 0 HA PRO A 9 -11.132 8.501 6.306 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.658 10.065 3.732 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.193 9.630 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.300 12.132 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.116 11.390 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.185 11.925 5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.129 11.952 7.110 1.00 0.00 H new ATOM 99 N HIS A 10 -8.399 8.346 4.608 1.00 0.00 N ATOM 100 CA HIS A 10 -7.528 7.427 3.883 1.00 0.00 C ATOM 101 C HIS A 10 -6.824 6.466 4.836 1.00 0.00 C ATOM 102 O HIS A 10 -6.828 5.253 4.624 1.00 0.00 O ATOM 103 CB HIS A 10 -6.492 8.208 3.072 1.00 0.00 C ATOM 104 CG HIS A 10 -7.088 9.042 1.981 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.686 10.326 1.692 1.00 0.00 N ATOM 106 CD2 HIS A 10 -8.077 8.751 1.099 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.426 10.767 0.665 1.00 0.00 C ATOM 108 NE2 HIS A 10 -8.286 9.848 0.268 1.00 0.00 N ATOM 0 H HIS A 10 -7.962 9.233 4.858 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.149 6.842 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.928 8.854 3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.782 7.506 2.635 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.616 7.817 1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.331 11.747 0.220 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.963 9.926 -0.491 1.00 0.00 H new ATOM 116 N ILE A 11 -6.214 7.014 5.882 1.00 0.00 N ATOM 117 CA ILE A 11 -5.500 6.202 6.861 1.00 0.00 C ATOM 118 C ILE A 11 -6.467 5.413 7.738 1.00 0.00 C ATOM 119 O ILE A 11 -6.269 4.223 7.981 1.00 0.00 O ATOM 120 CB ILE A 11 -4.599 7.068 7.761 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.746 8.012 6.910 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.714 6.187 8.631 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.859 8.927 7.726 1.00 0.00 C ATOM 0 H ILE A 11 -6.200 8.016 6.073 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.878 5.507 6.297 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.233 7.669 8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.124 7.420 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.402 8.618 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.083 6.814 9.261 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.338 5.552 9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.086 5.563 7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.284 9.567 7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.476 9.545 8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.178 8.329 8.331 1.00 0.00 H new ATOM 135 N GLN A 12 -7.512 6.083 8.214 1.00 0.00 N ATOM 136 CA GLN A 12 -8.508 5.444 9.067 1.00 0.00 C ATOM 137 C GLN A 12 -9.094 4.205 8.393 1.00 0.00 C ATOM 138 O GLN A 12 -9.481 3.248 9.063 1.00 0.00 O ATOM 139 CB GLN A 12 -9.627 6.430 9.409 1.00 0.00 C ATOM 140 CG GLN A 12 -10.120 6.317 10.842 1.00 0.00 C ATOM 141 CD GLN A 12 -11.330 5.413 10.973 1.00 0.00 C ATOM 142 OE1 GLN A 12 -12.471 5.865 10.882 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.085 4.125 11.187 1.00 0.00 N ATOM 0 H GLN A 12 -7.691 7.069 8.023 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.013 5.133 9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.271 7.445 9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.465 6.265 8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.315 5.934 11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.371 7.310 11.215 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.123 3.793 11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.859 3.468 11.283 1.00 0.00 H new ATOM 152 N LEU A 13 -9.154 4.230 7.067 1.00 0.00 N ATOM 153 CA LEU A 13 -9.692 3.108 6.306 1.00 0.00 C ATOM 154 C LEU A 13 -8.830 1.863 6.494 1.00 0.00 C ATOM 155 O LEU A 13 -9.345 0.751 6.610 1.00 0.00 O ATOM 156 CB LEU A 13 -9.779 3.464 4.820 1.00 0.00 C ATOM 157 CG LEU A 13 -11.096 4.109 4.386 1.00 0.00 C ATOM 158 CD1 LEU A 13 -11.055 4.461 2.907 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.265 3.182 4.682 1.00 0.00 C ATOM 0 H LEU A 13 -8.837 5.014 6.496 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.694 2.896 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.962 4.143 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.626 2.557 4.235 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.234 5.029 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.000 4.919 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.240 5.161 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.895 3.555 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.194 3.656 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.133 2.246 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.306 2.978 5.752 1.00 0.00 H new ATOM 171 N LEU A 14 -7.517 2.059 6.522 1.00 0.00 N ATOM 172 CA LEU A 14 -6.582 0.953 6.695 1.00 0.00 C ATOM 173 C LEU A 14 -6.695 0.358 8.095 1.00 0.00 C ATOM 174 O LEU A 14 -6.728 -0.862 8.262 1.00 0.00 O ATOM 175 CB LEU A 14 -5.149 1.426 6.445 1.00 0.00 C ATOM 176 CG LEU A 14 -4.897 2.017 5.057 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.651 2.889 5.066 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.767 0.909 4.023 1.00 0.00 C ATOM 0 H LEU A 14 -7.075 2.974 6.427 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.835 0.180 5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.894 2.175 7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.473 0.584 6.593 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.749 2.641 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.488 3.301 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.782 3.704 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.789 2.289 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.588 1.347 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.933 0.260 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.687 0.325 3.998 1.00 0.00 H new ATOM 190 N LYS A 15 -6.755 1.227 9.099 1.00 0.00 N ATOM 191 CA LYS A 15 -6.865 0.787 10.486 1.00 0.00 C ATOM 192 C LYS A 15 -8.118 -0.058 10.693 1.00 0.00 C ATOM 193 O LYS A 15 -8.141 -0.955 11.535 1.00 0.00 O ATOM 194 CB LYS A 15 -6.888 1.995 11.424 1.00 0.00 C ATOM 195 CG LYS A 15 -5.651 2.871 11.318 1.00 0.00 C ATOM 196 CD LYS A 15 -5.367 3.594 12.625 1.00 0.00 C ATOM 197 CE LYS A 15 -3.875 3.670 12.907 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.359 2.408 13.504 1.00 0.00 N ATOM 0 H LYS A 15 -6.729 2.240 8.979 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.995 0.173 10.716 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.770 2.598 11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.988 1.645 12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.792 2.258 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.788 3.600 10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.782 4.601 12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.867 3.077 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.340 3.879 11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.675 4.500 13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.338 2.500 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.851 2.222 14.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.527 1.619 12.847 1.00 0.00 H new ATOM 212 N SER A 16 -9.159 0.237 9.922 1.00 0.00 N ATOM 213 CA SER A 16 -10.416 -0.496 10.021 1.00 0.00 C ATOM 214 C SER A 16 -10.397 -1.733 9.128 1.00 0.00 C ATOM 215 O SER A 16 -10.864 -2.802 9.521 1.00 0.00 O ATOM 216 CB SER A 16 -11.589 0.407 9.637 1.00 0.00 C ATOM 217 OG SER A 16 -11.536 1.638 10.336 1.00 0.00 O ATOM 0 H SER A 16 -9.157 0.979 9.222 1.00 0.00 H new ATOM 0 HA SER A 16 -10.539 -0.819 11.055 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.571 0.594 8.563 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.529 -0.099 9.857 1.00 0.00 H new ATOM 0 HG SER A 16 -10.797 2.180 9.988 1.00 0.00 H new ATOM 223 N ASN A 17 -9.854 -1.579 7.925 1.00 0.00 N ATOM 224 CA ASN A 17 -9.774 -2.684 6.976 1.00 0.00 C ATOM 225 C ASN A 17 -8.362 -3.260 6.927 1.00 0.00 C ATOM 226 O ASN A 17 -7.884 -3.667 5.869 1.00 0.00 O ATOM 227 CB ASN A 17 -10.195 -2.216 5.581 1.00 0.00 C ATOM 228 CG ASN A 17 -11.582 -1.603 5.570 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.577 -2.292 5.342 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.654 -0.300 5.817 1.00 0.00 N ATOM 0 H ASN A 17 -9.463 -0.701 7.584 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.454 -3.467 7.311 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.475 -1.485 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.169 -3.062 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.560 0.169 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.803 0.232 6.001 1.00 0.00 H new ATOM 237 N ARG A 18 -7.700 -3.290 8.079 1.00 0.00 N ATOM 238 CA ARG A 18 -6.343 -3.816 8.167 1.00 0.00 C ATOM 239 C ARG A 18 -6.336 -5.332 7.999 1.00 0.00 C ATOM 240 O ARG A 18 -5.661 -5.866 7.118 1.00 0.00 O ATOM 241 CB ARG A 18 -5.712 -3.438 9.509 1.00 0.00 C ATOM 242 CG ARG A 18 -4.229 -3.762 9.597 1.00 0.00 C ATOM 243 CD ARG A 18 -3.829 -4.174 11.005 1.00 0.00 C ATOM 244 NE ARG A 18 -2.929 -3.204 11.625 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.335 -2.059 12.168 1.00 0.00 C ATOM 246 NH1 ARG A 18 -4.622 -1.736 12.171 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.450 -1.234 12.710 1.00 0.00 N ATOM 0 H ARG A 18 -8.081 -2.956 8.964 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.757 -3.375 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.853 -2.371 9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.238 -3.961 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.989 -4.565 8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.647 -2.892 9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.723 -4.282 11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.344 -5.150 10.973 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.932 -3.417 11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.307 -2.367 11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.926 -0.857 12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.459 -1.477 12.710 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.760 -0.356 13.127 1.00 0.00 H new ATOM 261 N GLU A 19 -7.091 -6.021 8.848 1.00 0.00 N ATOM 262 CA GLU A 19 -7.173 -7.476 8.793 1.00 0.00 C ATOM 263 C GLU A 19 -7.949 -7.930 7.561 1.00 0.00 C ATOM 264 O GLU A 19 -7.673 -8.989 6.995 1.00 0.00 O ATOM 265 CB GLU A 19 -7.839 -8.019 10.058 1.00 0.00 C ATOM 266 CG GLU A 19 -7.295 -7.409 11.340 1.00 0.00 C ATOM 267 CD GLU A 19 -7.507 -8.304 12.546 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.669 -8.454 12.977 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.510 -8.854 13.059 1.00 0.00 O ATOM 0 H GLU A 19 -7.655 -5.595 9.583 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.159 -7.870 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.912 -7.832 10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.705 -9.100 10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.230 -7.212 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.779 -6.448 11.515 1.00 0.00 H new ATOM 276 N LEU A 20 -8.920 -7.122 7.148 1.00 0.00 N ATOM 277 CA LEU A 20 -9.736 -7.439 5.983 1.00 0.00 C ATOM 278 C LEU A 20 -8.896 -7.420 4.710 1.00 0.00 C ATOM 279 O LEU A 20 -9.005 -8.313 3.869 1.00 0.00 O ATOM 280 CB LEU A 20 -10.893 -6.445 5.858 1.00 0.00 C ATOM 281 CG LEU A 20 -11.831 -6.688 4.673 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.123 -7.342 5.137 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.125 -5.382 3.948 1.00 0.00 C ATOM 0 H LEU A 20 -9.161 -6.242 7.604 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.141 -8.442 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.478 -6.475 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.481 -5.439 5.775 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.335 -7.365 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.776 -7.506 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.898 -8.298 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.623 -6.691 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.793 -5.574 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.599 -4.682 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.193 -4.953 3.579 1.00 0.00 H new ATOM 295 N LEU A 21 -8.058 -6.398 4.575 1.00 0.00 N ATOM 296 CA LEU A 21 -7.198 -6.262 3.406 1.00 0.00 C ATOM 297 C LEU A 21 -6.264 -7.461 3.275 1.00 0.00 C ATOM 298 O LEU A 21 -5.892 -7.852 2.169 1.00 0.00 O ATOM 299 CB LEU A 21 -6.382 -4.970 3.495 1.00 0.00 C ATOM 300 CG LEU A 21 -7.025 -3.750 2.833 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.266 -2.484 3.197 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.076 -3.929 1.324 1.00 0.00 C ATOM 0 H LEU A 21 -7.956 -5.651 5.262 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.833 -6.222 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.204 -4.742 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.408 -5.141 3.037 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.046 -3.655 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.738 -1.626 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.282 -2.349 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.234 -2.568 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.536 -3.052 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.064 -4.049 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.664 -4.814 1.082 1.00 0.00 H new ATOM 314 N VAL A 22 -5.887 -8.038 4.411 1.00 0.00 N ATOM 315 CA VAL A 22 -4.996 -9.191 4.425 1.00 0.00 C ATOM 316 C VAL A 22 -5.680 -10.422 3.839 1.00 0.00 C ATOM 317 O VAL A 22 -5.036 -11.265 3.215 1.00 0.00 O ATOM 318 CB VAL A 22 -4.515 -9.514 5.853 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.464 -10.613 5.830 1.00 0.00 C ATOM 320 CG2 VAL A 22 -3.974 -8.264 6.531 1.00 0.00 C ATOM 0 H VAL A 22 -6.185 -7.725 5.335 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.134 -8.931 3.811 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.368 -9.872 6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.138 -10.826 6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.890 -11.514 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.610 -10.287 5.236 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.639 -8.512 7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.135 -7.872 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.760 -7.510 6.585 1.00 0.00 H new ATOM 330 N THR A 23 -6.990 -10.518 4.045 1.00 0.00 N ATOM 331 CA THR A 23 -7.762 -11.647 3.538 1.00 0.00 C ATOM 332 C THR A 23 -8.124 -11.446 2.070 1.00 0.00 C ATOM 333 O THR A 23 -8.262 -12.410 1.317 1.00 0.00 O ATOM 334 CB THR A 23 -9.033 -11.836 4.367 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.762 -11.660 5.747 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.665 -13.200 4.193 1.00 0.00 C ATOM 0 H THR A 23 -7.538 -9.828 4.559 1.00 0.00 H new ATOM 0 HA THR A 23 -7.145 -12.542 3.621 1.00 0.00 H new ATOM 0 HB THR A 23 -9.731 -11.082 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.587 -11.783 6.261 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.562 -13.267 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.932 -13.347 3.146 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.957 -13.971 4.498 1.00 0.00 H new ATOM 344 N HIS A 24 -8.278 -10.189 1.670 1.00 0.00 N ATOM 345 CA HIS A 24 -8.626 -9.863 0.291 1.00 0.00 C ATOM 346 C HIS A 24 -7.387 -9.859 -0.598 1.00 0.00 C ATOM 347 O HIS A 24 -7.352 -10.524 -1.633 1.00 0.00 O ATOM 348 CB HIS A 24 -9.318 -8.500 0.226 1.00 0.00 C ATOM 349 CG HIS A 24 -10.738 -8.526 0.699 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.453 -9.683 0.917 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.580 -7.504 0.999 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.679 -9.336 1.332 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.807 -8.024 1.400 1.00 0.00 N ATOM 0 H HIS A 24 -8.168 -9.379 2.280 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.310 -10.629 -0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.756 -7.787 0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.293 -8.138 -0.802 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.336 -6.454 0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.461 -10.039 1.579 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.634 -7.500 1.687 1.00 0.00 H new ATOM 361 N ILE A 25 -6.371 -9.106 -0.187 1.00 0.00 N ATOM 362 CA ILE A 25 -5.131 -9.018 -0.948 1.00 0.00 C ATOM 363 C ILE A 25 -4.358 -10.332 -0.892 1.00 0.00 C ATOM 364 O ILE A 25 -4.242 -10.951 0.165 1.00 0.00 O ATOM 365 CB ILE A 25 -4.229 -7.881 -0.423 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.016 -6.572 -0.344 1.00 0.00 C ATOM 367 CG2 ILE A 25 -3.008 -7.717 -1.315 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.250 -5.446 0.317 1.00 0.00 C ATOM 0 H ILE A 25 -6.383 -8.549 0.667 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.407 -8.805 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.890 -8.141 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.299 -6.266 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.940 -6.745 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.382 -6.911 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.438 -8.646 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.328 -7.476 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.869 -4.549 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.990 -5.732 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.339 -5.245 -0.247 1.00 0.00 H new ATOM 380 N ARG A 26 -3.832 -10.751 -2.039 1.00 0.00 N ATOM 381 CA ARG A 26 -3.070 -11.992 -2.123 1.00 0.00 C ATOM 382 C ARG A 26 -1.610 -11.711 -2.462 1.00 0.00 C ATOM 383 O ARG A 26 -0.705 -12.376 -1.955 1.00 0.00 O ATOM 384 CB ARG A 26 -3.682 -12.920 -3.174 1.00 0.00 C ATOM 385 CG ARG A 26 -3.730 -14.378 -2.745 1.00 0.00 C ATOM 386 CD ARG A 26 -3.864 -15.308 -3.941 1.00 0.00 C ATOM 387 NE ARG A 26 -2.608 -15.989 -4.248 1.00 0.00 N ATOM 388 CZ ARG A 26 -2.383 -16.655 -5.378 1.00 0.00 C ATOM 389 NH1 ARG A 26 -3.325 -16.731 -6.310 1.00 0.00 N ATOM 390 NH2 ARG A 26 -1.213 -17.246 -5.577 1.00 0.00 N ATOM 0 H ARG A 26 -3.920 -10.249 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.110 -12.481 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.694 -12.583 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.107 -12.840 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.825 -14.625 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.570 -14.531 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.638 -16.048 -3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.188 -14.736 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.860 -15.952 -3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.227 -16.278 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.147 -17.243 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.486 -17.190 -4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.040 -17.757 -6.443 1.00 0.00 H new ATOM 404 N ASN A 27 -1.386 -10.723 -3.322 1.00 0.00 N ATOM 405 CA ASN A 27 -0.036 -10.353 -3.729 1.00 0.00 C ATOM 406 C ASN A 27 0.398 -9.055 -3.056 1.00 0.00 C ATOM 407 O ASN A 27 -0.200 -8.002 -3.272 1.00 0.00 O ATOM 408 CB ASN A 27 0.038 -10.201 -5.249 1.00 0.00 C ATOM 409 CG ASN A 27 -0.145 -11.521 -5.973 1.00 0.00 C ATOM 410 OD1 ASN A 27 -1.111 -11.706 -6.714 1.00 0.00 O ATOM 411 ND2 ASN A 27 0.783 -12.446 -5.762 1.00 0.00 N ATOM 0 H ASN A 27 -2.123 -10.164 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 27 0.641 -11.148 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.729 -9.500 -5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.002 -9.771 -5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.712 -13.354 -6.222 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.567 -12.249 -5.140 1.00 0.00 H new ATOM 418 N THR A 28 1.443 -9.139 -2.238 1.00 0.00 N ATOM 419 CA THR A 28 1.957 -7.971 -1.533 1.00 0.00 C ATOM 420 C THR A 28 3.111 -7.336 -2.301 1.00 0.00 C ATOM 421 O THR A 28 3.298 -6.119 -2.267 1.00 0.00 O ATOM 422 CB THR A 28 2.418 -8.359 -0.128 1.00 0.00 C ATOM 423 OG1 THR A 28 3.105 -9.598 -0.148 1.00 0.00 O ATOM 424 CG2 THR A 28 1.281 -8.482 0.864 1.00 0.00 C ATOM 0 H THR A 28 1.950 -10.004 -2.048 1.00 0.00 H new ATOM 0 HA THR A 28 1.151 -7.242 -1.455 1.00 0.00 H new ATOM 0 HB THR A 28 3.073 -7.549 0.193 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.057 -9.447 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.678 -8.760 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.761 -7.527 0.942 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.584 -9.248 0.525 1.00 0.00 H new ATOM 432 N GLN A 29 3.883 -8.168 -2.993 1.00 0.00 N ATOM 433 CA GLN A 29 5.020 -7.688 -3.770 1.00 0.00 C ATOM 434 C GLN A 29 4.566 -6.722 -4.861 1.00 0.00 C ATOM 435 O GLN A 29 5.306 -5.820 -5.252 1.00 0.00 O ATOM 436 CB GLN A 29 5.773 -8.866 -4.392 1.00 0.00 C ATOM 437 CG GLN A 29 7.270 -8.839 -4.126 1.00 0.00 C ATOM 438 CD GLN A 29 7.598 -8.819 -2.646 1.00 0.00 C ATOM 439 OE1 GLN A 29 7.658 -9.865 -1.998 1.00 0.00 O ATOM 440 NE2 GLN A 29 7.815 -7.627 -2.103 1.00 0.00 N ATOM 0 H GLN A 29 3.742 -9.177 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 29 5.690 -7.154 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.360 -9.797 -4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.604 -8.867 -5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.733 -9.712 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.704 -7.960 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.755 -6.786 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.042 -7.552 -1.111 1.00 0.00 H new ATOM 449 N CYS A 30 3.345 -6.919 -5.349 1.00 0.00 N ATOM 450 CA CYS A 30 2.793 -6.065 -6.394 1.00 0.00 C ATOM 451 C CYS A 30 2.755 -4.608 -5.947 1.00 0.00 C ATOM 452 O CYS A 30 3.050 -3.701 -6.726 1.00 0.00 O ATOM 453 CB CYS A 30 1.386 -6.531 -6.771 1.00 0.00 C ATOM 454 SG CYS A 30 0.999 -6.364 -8.530 1.00 0.00 S ATOM 0 H CYS A 30 2.720 -7.662 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 30 3.441 -6.140 -7.267 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.271 -7.576 -6.482 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.659 -5.959 -6.194 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.211 -6.786 -8.750 1.00 0.00 H new ATOM 460 N LEU A 31 2.391 -4.389 -4.687 1.00 0.00 N ATOM 461 CA LEU A 31 2.315 -3.041 -4.137 1.00 0.00 C ATOM 462 C LEU A 31 3.709 -2.484 -3.866 1.00 0.00 C ATOM 463 O LEU A 31 3.995 -1.326 -4.169 1.00 0.00 O ATOM 464 CB LEU A 31 1.493 -3.041 -2.846 1.00 0.00 C ATOM 465 CG LEU A 31 0.105 -3.673 -2.962 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.266 -4.387 -1.672 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.933 -2.617 -3.306 1.00 0.00 C ATOM 0 H LEU A 31 2.144 -5.128 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 31 1.825 -2.402 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.054 -3.571 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.380 -2.012 -2.506 1.00 0.00 H new ATOM 0 HG LEU A 31 0.127 -4.408 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.257 -4.830 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.463 -5.171 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.271 -3.672 -0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.915 -3.084 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.954 -1.859 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.676 -2.150 -4.257 1.00 0.00 H new ATOM 479 N VAL A 32 4.572 -3.318 -3.295 1.00 0.00 N ATOM 480 CA VAL A 32 5.937 -2.909 -2.984 1.00 0.00 C ATOM 481 C VAL A 32 6.709 -2.564 -4.253 1.00 0.00 C ATOM 482 O VAL A 32 7.549 -1.663 -4.255 1.00 0.00 O ATOM 483 CB VAL A 32 6.695 -4.012 -2.219 1.00 0.00 C ATOM 484 CG1 VAL A 32 8.057 -3.511 -1.766 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.877 -4.498 -1.031 1.00 0.00 C ATOM 0 H VAL A 32 4.351 -4.280 -3.038 1.00 0.00 H new ATOM 0 HA VAL A 32 5.866 -2.024 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 32 6.850 -4.854 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.576 -4.304 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.645 -3.218 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.928 -2.651 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.428 -5.276 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.688 -3.665 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.928 -4.901 -1.383 1.00 0.00 H new ATOM 495 N ASP A 33 6.419 -3.284 -5.331 1.00 0.00 N ATOM 496 CA ASP A 33 7.086 -3.053 -6.607 1.00 0.00 C ATOM 497 C ASP A 33 6.731 -1.679 -7.166 1.00 0.00 C ATOM 498 O ASP A 33 7.611 -0.906 -7.545 1.00 0.00 O ATOM 499 CB ASP A 33 6.701 -4.142 -7.612 1.00 0.00 C ATOM 500 CG ASP A 33 7.876 -4.588 -8.459 1.00 0.00 C ATOM 501 OD1 ASP A 33 9.008 -4.627 -7.933 1.00 0.00 O ATOM 502 OD2 ASP A 33 7.664 -4.898 -9.651 1.00 0.00 O ATOM 0 H ASP A 33 5.726 -4.033 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 33 8.162 -3.089 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.296 -5.001 -7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.909 -3.770 -8.262 1.00 0.00 H new ATOM 507 N ASN A 34 5.437 -1.382 -7.215 1.00 0.00 N ATOM 508 CA ASN A 34 4.965 -0.102 -7.728 1.00 0.00 C ATOM 509 C ASN A 34 5.419 1.044 -6.830 1.00 0.00 C ATOM 510 O ASN A 34 5.882 2.079 -7.312 1.00 0.00 O ATOM 511 CB ASN A 34 3.439 -0.104 -7.840 1.00 0.00 C ATOM 512 CG ASN A 34 2.945 -0.997 -8.960 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.292 -0.804 -10.125 1.00 0.00 O ATOM 514 ND2 ASN A 34 2.126 -1.984 -8.611 1.00 0.00 N ATOM 0 H ASN A 34 4.696 -2.011 -6.905 1.00 0.00 H new ATOM 0 HA ASN A 34 5.394 0.044 -8.719 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.008 -0.437 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.088 0.914 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.759 -2.618 -9.321 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.864 -2.108 -7.633 1.00 0.00 H new ATOM 521 N LEU A 35 5.284 0.854 -5.521 1.00 0.00 N ATOM 522 CA LEU A 35 5.679 1.871 -4.555 1.00 0.00 C ATOM 523 C LEU A 35 7.167 2.188 -4.677 1.00 0.00 C ATOM 524 O LEU A 35 7.568 3.351 -4.648 1.00 0.00 O ATOM 525 CB LEU A 35 5.360 1.406 -3.133 1.00 0.00 C ATOM 526 CG LEU A 35 3.870 1.304 -2.805 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.638 0.302 -1.683 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.314 2.668 -2.426 1.00 0.00 C ATOM 0 H LEU A 35 4.903 0.004 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 35 5.113 2.778 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.819 0.430 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.825 2.095 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 35 3.345 0.953 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.572 0.243 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.000 -0.679 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.175 0.624 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.252 2.577 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.844 3.047 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.447 3.359 -3.258 1.00 0.00 H new ATOM 540 N LEU A 36 7.979 1.145 -4.814 1.00 0.00 N ATOM 541 CA LEU A 36 9.422 1.312 -4.941 1.00 0.00 C ATOM 542 C LEU A 36 9.770 2.113 -6.192 1.00 0.00 C ATOM 543 O LEU A 36 10.597 3.024 -6.148 1.00 0.00 O ATOM 544 CB LEU A 36 10.113 -0.053 -4.987 1.00 0.00 C ATOM 545 CG LEU A 36 10.247 -0.757 -3.636 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.694 -2.198 -3.827 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.224 -0.009 -2.742 1.00 0.00 C ATOM 0 H LEU A 36 7.662 0.176 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 36 9.776 1.862 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.557 -0.702 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.108 0.075 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 36 9.271 -0.762 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.784 -2.683 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.959 -2.730 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.660 -2.215 -4.332 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.308 -0.523 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.202 0.027 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.863 1.006 -2.578 1.00 0.00 H new ATOM 559 N LYS A 37 9.133 1.768 -7.306 1.00 0.00 N ATOM 560 CA LYS A 37 9.375 2.455 -8.569 1.00 0.00 C ATOM 561 C LYS A 37 8.974 3.924 -8.475 1.00 0.00 C ATOM 562 O LYS A 37 9.606 4.790 -9.078 1.00 0.00 O ATOM 563 CB LYS A 37 8.602 1.775 -9.701 1.00 0.00 C ATOM 564 CG LYS A 37 9.199 2.019 -11.078 1.00 0.00 C ATOM 565 CD LYS A 37 8.215 2.724 -11.999 1.00 0.00 C ATOM 566 CE LYS A 37 8.552 2.485 -13.462 1.00 0.00 C ATOM 567 NZ LYS A 37 7.633 3.223 -14.371 1.00 0.00 N ATOM 0 H LYS A 37 8.445 1.017 -7.360 1.00 0.00 H new ATOM 0 HA LYS A 37 10.442 2.401 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.569 0.702 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.572 2.132 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.103 2.621 -10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.495 1.068 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.205 2.369 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.224 3.794 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.579 2.796 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.497 1.418 -13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.896 3.034 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.655 2.908 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.704 4.243 -14.183 1.00 0.00 H new ATOM 581 N ASN A 38 7.919 4.196 -7.713 1.00 0.00 N ATOM 582 CA ASN A 38 7.433 5.560 -7.539 1.00 0.00 C ATOM 583 C ASN A 38 8.226 6.302 -6.463 1.00 0.00 C ATOM 584 O ASN A 38 7.956 7.468 -6.178 1.00 0.00 O ATOM 585 CB ASN A 38 5.947 5.550 -7.174 1.00 0.00 C ATOM 586 CG ASN A 38 5.055 5.382 -8.389 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.249 6.256 -8.707 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.196 4.253 -9.075 1.00 0.00 N ATOM 0 H ASN A 38 7.385 3.490 -7.207 1.00 0.00 H new ATOM 0 HA ASN A 38 7.570 6.084 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.754 4.741 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.694 6.481 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.623 4.084 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.877 3.556 -8.775 1.00 0.00 H new ATOM 595 N ASP A 39 9.206 5.623 -5.867 1.00 0.00 N ATOM 596 CA ASP A 39 10.031 6.226 -4.827 1.00 0.00 C ATOM 597 C ASP A 39 9.193 6.566 -3.598 1.00 0.00 C ATOM 598 O ASP A 39 9.296 7.661 -3.045 1.00 0.00 O ATOM 599 CB ASP A 39 10.721 7.487 -5.358 1.00 0.00 C ATOM 600 CG ASP A 39 12.167 7.584 -4.912 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.402 7.862 -3.717 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.063 7.384 -5.758 1.00 0.00 O ATOM 0 H ASP A 39 9.446 4.657 -6.088 1.00 0.00 H new ATOM 0 HA ASP A 39 10.792 5.502 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.678 7.490 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.178 8.367 -5.015 1.00 0.00 H new ATOM 607 N TYR A 40 8.363 5.618 -3.175 1.00 0.00 N ATOM 608 CA TYR A 40 7.507 5.815 -2.011 1.00 0.00 C ATOM 609 C TYR A 40 8.019 5.012 -0.818 1.00 0.00 C ATOM 610 O TYR A 40 8.056 5.509 0.307 1.00 0.00 O ATOM 611 CB TYR A 40 6.069 5.405 -2.334 1.00 0.00 C ATOM 612 CG TYR A 40 5.210 6.547 -2.830 1.00 0.00 C ATOM 613 CD1 TYR A 40 4.806 7.561 -1.971 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.804 6.611 -4.157 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.021 8.607 -2.420 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.019 7.653 -4.614 1.00 0.00 C ATOM 617 CZ TYR A 40 3.630 8.648 -3.741 1.00 0.00 C ATOM 618 OH TYR A 40 2.849 9.686 -4.193 1.00 0.00 O ATOM 0 H TYR A 40 8.265 4.706 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 40 7.527 6.873 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.085 4.619 -3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.612 4.979 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.110 7.532 -0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.107 5.834 -4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.716 9.388 -1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.712 7.688 -5.649 1.00 0.00 H new ATOM 0 HH TYR A 40 2.117 9.331 -4.739 1.00 0.00 H new ATOM 628 N PHE A 41 8.413 3.769 -1.074 1.00 0.00 N ATOM 629 CA PHE A 41 8.924 2.897 -0.024 1.00 0.00 C ATOM 630 C PHE A 41 10.445 2.971 0.052 1.00 0.00 C ATOM 631 O PHE A 41 11.130 2.933 -0.970 1.00 0.00 O ATOM 632 CB PHE A 41 8.483 1.453 -0.271 1.00 0.00 C ATOM 633 CG PHE A 41 7.189 1.094 0.401 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.099 1.948 0.336 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.061 -0.097 1.097 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.907 1.620 0.952 1.00 0.00 C ATOM 637 CE2 PHE A 41 5.871 -0.430 1.716 1.00 0.00 C ATOM 638 CZ PHE A 41 4.793 0.430 1.644 1.00 0.00 C ATOM 0 H PHE A 41 8.388 3.343 -2.000 1.00 0.00 H new ATOM 0 HA PHE A 41 8.514 3.236 0.927 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.382 1.292 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.264 0.779 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.183 2.880 -0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.901 -0.773 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.065 2.293 0.893 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.784 -1.362 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.862 0.173 2.128 1.00 0.00 H new ATOM 648 N SER A 42 10.968 3.076 1.270 1.00 0.00 N ATOM 649 CA SER A 42 12.410 3.155 1.479 1.00 0.00 C ATOM 650 C SER A 42 13.081 1.828 1.137 1.00 0.00 C ATOM 651 O SER A 42 12.426 0.888 0.685 1.00 0.00 O ATOM 652 CB SER A 42 12.716 3.538 2.927 1.00 0.00 C ATOM 653 OG SER A 42 11.662 4.300 3.488 1.00 0.00 O ATOM 0 H SER A 42 10.415 3.108 2.127 1.00 0.00 H new ATOM 0 HA SER A 42 12.808 3.924 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.872 2.636 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.643 4.110 2.967 1.00 0.00 H new ATOM 0 HG SER A 42 11.882 4.530 4.415 1.00 0.00 H new ATOM 659 N ALA A 43 14.390 1.758 1.357 1.00 0.00 N ATOM 660 CA ALA A 43 15.148 0.546 1.071 1.00 0.00 C ATOM 661 C ALA A 43 15.109 -0.417 2.253 1.00 0.00 C ATOM 662 O ALA A 43 15.166 -1.635 2.077 1.00 0.00 O ATOM 663 CB ALA A 43 16.586 0.894 0.720 1.00 0.00 C ATOM 0 H ALA A 43 14.947 2.526 1.732 1.00 0.00 H new ATOM 0 HA ALA A 43 14.686 0.051 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.140 -0.020 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.600 1.538 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.050 1.414 1.558 1.00 0.00 H new ATOM 669 N GLU A 44 15.013 0.134 3.458 1.00 0.00 N ATOM 670 CA GLU A 44 14.967 -0.676 4.669 1.00 0.00 C ATOM 671 C GLU A 44 13.563 -1.224 4.906 1.00 0.00 C ATOM 672 O GLU A 44 13.396 -2.320 5.442 1.00 0.00 O ATOM 673 CB GLU A 44 15.415 0.147 5.877 1.00 0.00 C ATOM 674 CG GLU A 44 16.923 0.193 6.058 1.00 0.00 C ATOM 675 CD GLU A 44 17.331 0.426 7.499 1.00 0.00 C ATOM 676 OE1 GLU A 44 17.370 1.601 7.922 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.611 -0.565 8.205 1.00 0.00 O ATOM 0 H GLU A 44 14.965 1.140 3.622 1.00 0.00 H new ATOM 0 HA GLU A 44 15.648 -1.517 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.039 1.165 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.962 -0.269 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.356 -0.745 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.336 0.986 5.435 1.00 0.00 H new ATOM 684 N ASP A 45 12.557 -0.455 4.502 1.00 0.00 N ATOM 685 CA ASP A 45 11.167 -0.863 4.671 1.00 0.00 C ATOM 686 C ASP A 45 10.841 -2.066 3.792 1.00 0.00 C ATOM 687 O ASP A 45 10.062 -2.938 4.178 1.00 0.00 O ATOM 688 CB ASP A 45 10.228 0.297 4.338 1.00 0.00 C ATOM 689 CG ASP A 45 10.033 1.237 5.511 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.985 1.406 6.302 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.927 1.803 5.640 1.00 0.00 O ATOM 0 H ASP A 45 12.678 0.454 4.055 1.00 0.00 H new ATOM 0 HA ASP A 45 11.024 -1.149 5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.630 0.855 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.261 -0.099 4.029 1.00 0.00 H new ATOM 696 N ALA A 46 11.440 -2.106 2.605 1.00 0.00 N ATOM 697 CA ALA A 46 11.213 -3.202 1.671 1.00 0.00 C ATOM 698 C ALA A 46 11.701 -4.528 2.247 1.00 0.00 C ATOM 699 O ALA A 46 11.168 -5.589 1.923 1.00 0.00 O ATOM 700 CB ALA A 46 11.901 -2.915 0.346 1.00 0.00 C ATOM 0 H ALA A 46 12.086 -1.392 2.268 1.00 0.00 H new ATOM 0 HA ALA A 46 10.139 -3.285 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.724 -3.741 -0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.501 -1.995 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.973 -2.803 0.509 1.00 0.00 H new ATOM 706 N GLU A 47 12.718 -4.459 3.100 1.00 0.00 N ATOM 707 CA GLU A 47 13.278 -5.655 3.719 1.00 0.00 C ATOM 708 C GLU A 47 12.378 -6.161 4.843 1.00 0.00 C ATOM 709 O GLU A 47 12.338 -7.358 5.128 1.00 0.00 O ATOM 710 CB GLU A 47 14.679 -5.365 4.261 1.00 0.00 C ATOM 711 CG GLU A 47 15.792 -5.732 3.293 1.00 0.00 C ATOM 712 CD GLU A 47 17.076 -6.119 4.001 1.00 0.00 C ATOM 713 OE1 GLU A 47 16.999 -6.837 5.019 1.00 0.00 O ATOM 714 OE2 GLU A 47 18.158 -5.702 3.537 1.00 0.00 O ATOM 0 H GLU A 47 13.171 -3.588 3.378 1.00 0.00 H new ATOM 0 HA GLU A 47 13.344 -6.431 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.754 -4.305 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.821 -5.915 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.464 -6.560 2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.986 -4.888 2.631 1.00 0.00 H new ATOM 721 N ILE A 48 11.658 -5.242 5.480 1.00 0.00 N ATOM 722 CA ILE A 48 10.760 -5.598 6.572 1.00 0.00 C ATOM 723 C ILE A 48 9.571 -6.407 6.064 1.00 0.00 C ATOM 724 O ILE A 48 9.138 -7.363 6.707 1.00 0.00 O ATOM 725 CB ILE A 48 10.242 -4.345 7.307 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.411 -3.454 7.729 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.411 -4.744 8.518 1.00 0.00 C ATOM 728 CD1 ILE A 48 11.003 -2.030 8.040 1.00 0.00 C ATOM 0 H ILE A 48 11.679 -4.247 5.259 1.00 0.00 H new ATOM 0 HA ILE A 48 11.336 -6.205 7.270 1.00 0.00 H new ATOM 0 HB ILE A 48 9.606 -3.781 6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.889 -3.887 8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.156 -3.445 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.053 -3.848 9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.559 -5.342 8.194 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.024 -5.328 9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.882 -1.455 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.552 -1.579 7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.281 -2.028 8.856 1.00 0.00 H new ATOM 740 N VAL A 49 9.048 -6.018 4.906 1.00 0.00 N ATOM 741 CA VAL A 49 7.909 -6.707 4.312 1.00 0.00 C ATOM 742 C VAL A 49 8.255 -8.156 3.982 1.00 0.00 C ATOM 743 O VAL A 49 7.534 -9.079 4.362 1.00 0.00 O ATOM 744 CB VAL A 49 7.430 -6.001 3.030 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.125 -6.609 2.540 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.275 -4.507 3.269 1.00 0.00 C ATOM 0 H VAL A 49 9.395 -5.229 4.360 1.00 0.00 H new ATOM 0 HA VAL A 49 7.107 -6.686 5.050 1.00 0.00 H new ATOM 0 HB VAL A 49 8.183 -6.145 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.803 -6.097 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.275 -7.667 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.361 -6.499 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.936 -4.025 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.543 -4.339 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.235 -4.085 3.567 1.00 0.00 H new ATOM 756 N CYS A 50 9.362 -8.347 3.273 1.00 0.00 N ATOM 757 CA CYS A 50 9.805 -9.683 2.890 1.00 0.00 C ATOM 758 C CYS A 50 10.164 -10.513 4.120 1.00 0.00 C ATOM 759 O CYS A 50 10.096 -11.742 4.092 1.00 0.00 O ATOM 760 CB CYS A 50 11.010 -9.595 1.952 1.00 0.00 C ATOM 761 SG CYS A 50 10.576 -9.530 0.198 1.00 0.00 S ATOM 0 H CYS A 50 9.970 -7.593 2.952 1.00 0.00 H new ATOM 0 HA CYS A 50 8.983 -10.174 2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.590 -8.707 2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.655 -10.457 2.124 1.00 0.00 H new ATOM 0 HG CYS A 50 11.661 -9.455 -0.515 1.00 0.00 H new ATOM 767 N ALA A 51 10.548 -9.835 5.198 1.00 0.00 N ATOM 768 CA ALA A 51 10.917 -10.511 6.437 1.00 0.00 C ATOM 769 C ALA A 51 9.801 -11.430 6.923 1.00 0.00 C ATOM 770 O ALA A 51 10.056 -12.427 7.599 1.00 0.00 O ATOM 771 CB ALA A 51 11.267 -9.490 7.510 1.00 0.00 C ATOM 0 H ALA A 51 10.612 -8.818 5.238 1.00 0.00 H new ATOM 0 HA ALA A 51 11.793 -11.128 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.540 -10.008 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.106 -8.881 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.406 -8.849 7.697 1.00 0.00 H new ATOM 777 N CYS A 52 8.564 -11.089 6.576 1.00 0.00 N ATOM 778 CA CYS A 52 7.411 -11.886 6.979 1.00 0.00 C ATOM 779 C CYS A 52 7.535 -13.320 6.468 1.00 0.00 C ATOM 780 O CYS A 52 7.998 -13.551 5.351 1.00 0.00 O ATOM 781 CB CYS A 52 6.121 -11.256 6.453 1.00 0.00 C ATOM 782 SG CYS A 52 5.737 -9.644 7.178 1.00 0.00 S ATOM 0 H CYS A 52 8.335 -10.267 6.017 1.00 0.00 H new ATOM 0 HA CYS A 52 7.379 -11.908 8.068 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.198 -11.147 5.371 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.292 -11.936 6.647 1.00 0.00 H new ATOM 0 HG CYS A 52 6.246 -8.703 6.439 1.00 0.00 H new ATOM 788 N PRO A 53 7.120 -14.308 7.283 1.00 0.00 N ATOM 789 CA PRO A 53 7.190 -15.721 6.905 1.00 0.00 C ATOM 790 C PRO A 53 6.093 -16.115 5.922 1.00 0.00 C ATOM 791 O PRO A 53 6.309 -16.936 5.031 1.00 0.00 O ATOM 792 CB PRO A 53 6.998 -16.445 8.237 1.00 0.00 C ATOM 793 CG PRO A 53 6.160 -15.518 9.047 1.00 0.00 C ATOM 794 CD PRO A 53 6.555 -14.125 8.634 1.00 0.00 C ATOM 0 HA PRO A 53 8.124 -15.964 6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.505 -17.407 8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.954 -16.643 8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.100 -15.692 8.865 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.329 -15.671 10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.697 -13.453 8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.286 -13.696 9.319 1.00 0.00 H new ATOM 802 N THR A 54 4.913 -15.526 6.093 1.00 0.00 N ATOM 803 CA THR A 54 3.781 -15.817 5.222 1.00 0.00 C ATOM 804 C THR A 54 3.323 -14.565 4.482 1.00 0.00 C ATOM 805 O THR A 54 3.788 -13.460 4.763 1.00 0.00 O ATOM 806 CB THR A 54 2.622 -16.394 6.037 1.00 0.00 C ATOM 807 OG1 THR A 54 2.158 -15.450 6.986 1.00 0.00 O ATOM 808 CG2 THR A 54 2.987 -17.657 6.786 1.00 0.00 C ATOM 0 H THR A 54 4.717 -14.845 6.827 1.00 0.00 H new ATOM 0 HA THR A 54 4.103 -16.553 4.485 1.00 0.00 H new ATOM 0 HB THR A 54 1.848 -16.635 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.867 -15.264 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.120 -18.013 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.302 -18.422 6.077 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.802 -17.447 7.479 1.00 0.00 H new ATOM 816 N GLN A 55 2.407 -14.746 3.535 1.00 0.00 N ATOM 817 CA GLN A 55 1.886 -13.630 2.753 1.00 0.00 C ATOM 818 C GLN A 55 1.056 -12.692 3.629 1.00 0.00 C ATOM 819 O GLN A 55 1.297 -11.486 3.658 1.00 0.00 O ATOM 820 CB GLN A 55 1.037 -14.148 1.588 1.00 0.00 C ATOM 821 CG GLN A 55 1.385 -13.512 0.253 1.00 0.00 C ATOM 822 CD GLN A 55 2.469 -14.268 -0.490 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.328 -15.457 -0.774 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.559 -13.580 -0.807 1.00 0.00 N ATOM 0 H GLN A 55 2.011 -15.654 3.291 1.00 0.00 H new ATOM 0 HA GLN A 55 2.732 -13.070 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.162 -15.228 1.510 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.015 -13.964 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.490 -13.466 -0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.712 -12.485 0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.633 -12.595 -0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.323 -14.036 -1.306 1.00 0.00 H new ATOM 833 N PRO A 56 0.066 -13.237 4.359 1.00 0.00 N ATOM 834 CA PRO A 56 -0.797 -12.439 5.237 1.00 0.00 C ATOM 835 C PRO A 56 0.003 -11.536 6.170 1.00 0.00 C ATOM 836 O PRO A 56 -0.427 -10.433 6.502 1.00 0.00 O ATOM 837 CB PRO A 56 -1.558 -13.496 6.039 1.00 0.00 C ATOM 838 CG PRO A 56 -1.582 -14.695 5.157 1.00 0.00 C ATOM 839 CD PRO A 56 -0.290 -14.669 4.386 1.00 0.00 C ATOM 0 HA PRO A 56 -1.442 -11.765 4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.060 -13.710 6.985 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.567 -13.161 6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.668 -15.609 5.744 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.439 -14.667 4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.481 -15.265 4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.414 -15.071 3.380 1.00 0.00 H new ATOM 847 N ASP A 57 1.171 -12.014 6.586 1.00 0.00 N ATOM 848 CA ASP A 57 2.035 -11.250 7.480 1.00 0.00 C ATOM 849 C ASP A 57 2.608 -10.029 6.767 1.00 0.00 C ATOM 850 O ASP A 57 2.858 -8.996 7.389 1.00 0.00 O ATOM 851 CB ASP A 57 3.170 -12.132 8.001 1.00 0.00 C ATOM 852 CG ASP A 57 2.809 -12.835 9.294 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.206 -12.186 10.175 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.128 -14.036 9.426 1.00 0.00 O ATOM 0 H ASP A 57 1.541 -12.926 6.319 1.00 0.00 H new ATOM 0 HA ASP A 57 1.435 -10.908 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.425 -12.875 7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.058 -11.520 8.159 1.00 0.00 H new ATOM 859 N LYS A 58 2.814 -10.155 5.460 1.00 0.00 N ATOM 860 CA LYS A 58 3.357 -9.062 4.662 1.00 0.00 C ATOM 861 C LYS A 58 2.331 -7.945 4.501 1.00 0.00 C ATOM 862 O LYS A 58 2.679 -6.764 4.509 1.00 0.00 O ATOM 863 CB LYS A 58 3.791 -9.573 3.287 1.00 0.00 C ATOM 864 CG LYS A 58 4.820 -10.691 3.352 1.00 0.00 C ATOM 865 CD LYS A 58 4.967 -11.390 2.010 1.00 0.00 C ATOM 866 CE LYS A 58 6.211 -10.922 1.271 1.00 0.00 C ATOM 867 NZ LYS A 58 7.344 -11.874 1.433 1.00 0.00 N ATOM 0 H LYS A 58 2.613 -11.004 4.931 1.00 0.00 H new ATOM 0 HA LYS A 58 4.226 -8.661 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.914 -9.929 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.204 -8.743 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.783 -10.283 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.524 -11.416 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.018 -12.468 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.085 -11.196 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.982 -10.807 0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.506 -9.940 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.173 -11.519 0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.580 -11.965 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.072 -12.804 1.056 1.00 0.00 H new ATOM 881 N VAL A 59 1.067 -8.326 4.356 1.00 0.00 N ATOM 882 CA VAL A 59 -0.010 -7.356 4.193 1.00 0.00 C ATOM 883 C VAL A 59 -0.197 -6.529 5.461 1.00 0.00 C ATOM 884 O VAL A 59 -0.561 -5.354 5.400 1.00 0.00 O ATOM 885 CB VAL A 59 -1.342 -8.045 3.840 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.421 -7.013 3.549 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.162 -8.984 2.657 1.00 0.00 C ATOM 0 H VAL A 59 0.763 -9.299 4.348 1.00 0.00 H new ATOM 0 HA VAL A 59 0.276 -6.700 3.371 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.660 -8.635 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.353 -7.521 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.571 -6.386 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.113 -6.391 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.114 -9.461 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.818 -8.417 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.425 -9.747 2.907 1.00 0.00 H new ATOM 897 N ARG A 60 0.058 -7.149 6.608 1.00 0.00 N ATOM 898 CA ARG A 60 -0.080 -6.471 7.891 1.00 0.00 C ATOM 899 C ARG A 60 1.105 -5.546 8.148 1.00 0.00 C ATOM 900 O ARG A 60 0.970 -4.517 8.810 1.00 0.00 O ATOM 901 CB ARG A 60 -0.195 -7.495 9.022 1.00 0.00 C ATOM 902 CG ARG A 60 -0.583 -6.884 10.359 1.00 0.00 C ATOM 903 CD ARG A 60 -0.296 -7.833 11.512 1.00 0.00 C ATOM 904 NE ARG A 60 -1.522 -8.381 12.088 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.303 -7.719 12.938 1.00 0.00 C ATOM 906 NH1 ARG A 60 -1.991 -6.485 13.315 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.400 -8.293 13.414 1.00 0.00 N ATOM 0 H ARG A 60 0.362 -8.120 6.675 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.988 -5.869 7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.935 -8.246 8.747 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.758 -8.012 9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.035 -5.954 10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.643 -6.631 10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.336 -8.649 11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.264 -7.306 12.285 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.795 -9.327 11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.148 -6.039 12.953 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.594 -5.983 13.967 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.644 -9.241 13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.999 -7.786 14.066 1.00 0.00 H new ATOM 921 N LYS A 61 2.266 -5.918 7.617 1.00 0.00 N ATOM 922 CA LYS A 61 3.475 -5.121 7.789 1.00 0.00 C ATOM 923 C LYS A 61 3.427 -3.865 6.926 1.00 0.00 C ATOM 924 O LYS A 61 3.777 -2.775 7.378 1.00 0.00 O ATOM 925 CB LYS A 61 4.711 -5.950 7.434 1.00 0.00 C ATOM 926 CG LYS A 61 6.023 -5.215 7.655 1.00 0.00 C ATOM 927 CD LYS A 61 6.212 -4.835 9.116 1.00 0.00 C ATOM 928 CE LYS A 61 6.421 -6.063 9.988 1.00 0.00 C ATOM 929 NZ LYS A 61 6.466 -5.715 11.435 1.00 0.00 N ATOM 0 H LYS A 61 2.395 -6.766 7.065 1.00 0.00 H new ATOM 0 HA LYS A 61 3.535 -4.819 8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.710 -6.862 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.646 -6.254 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.852 -5.844 7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.046 -4.316 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.070 -4.169 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.339 -4.283 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.615 -6.775 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.351 -6.556 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.610 -6.579 11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.251 -5.055 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.569 -5.268 11.713 1.00 0.00 H new ATOM 943 N ILE A 62 2.990 -4.025 5.681 1.00 0.00 N ATOM 944 CA ILE A 62 2.896 -2.903 4.754 1.00 0.00 C ATOM 945 C ILE A 62 1.906 -1.858 5.258 1.00 0.00 C ATOM 946 O ILE A 62 2.189 -0.660 5.236 1.00 0.00 O ATOM 947 CB ILE A 62 2.469 -3.367 3.348 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.374 -4.502 2.863 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.505 -2.202 2.369 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.645 -5.550 2.051 1.00 0.00 C ATOM 0 H ILE A 62 2.696 -4.920 5.291 1.00 0.00 H new ATOM 0 HA ILE A 62 3.889 -2.459 4.692 1.00 0.00 H new ATOM 0 HB ILE A 62 1.446 -3.740 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.179 -4.082 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.838 -4.980 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.201 -2.547 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.823 -1.422 2.707 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.517 -1.801 2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.348 -6.323 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.858 -5.997 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.204 -5.085 1.169 1.00 0.00 H new ATOM 962 N LEU A 63 0.745 -2.319 5.712 1.00 0.00 N ATOM 963 CA LEU A 63 -0.287 -1.422 6.221 1.00 0.00 C ATOM 964 C LEU A 63 0.240 -0.594 7.388 1.00 0.00 C ATOM 965 O LEU A 63 -0.062 0.593 7.507 1.00 0.00 O ATOM 966 CB LEU A 63 -1.515 -2.221 6.662 1.00 0.00 C ATOM 967 CG LEU A 63 -2.260 -2.939 5.535 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.049 -4.118 6.083 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.181 -1.971 4.807 1.00 0.00 C ATOM 0 H LEU A 63 0.495 -3.308 5.738 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.573 -0.744 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.203 -2.961 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.209 -1.545 7.162 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.527 -3.319 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.572 -4.616 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.367 -4.822 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.774 -3.762 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.704 -2.497 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.908 -1.563 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.592 -1.159 4.381 1.00 0.00 H new ATOM 981 N ASP A 64 1.031 -1.229 8.248 1.00 0.00 N ATOM 982 CA ASP A 64 1.602 -0.551 9.405 1.00 0.00 C ATOM 983 C ASP A 64 2.635 0.484 8.974 1.00 0.00 C ATOM 984 O ASP A 64 2.780 1.532 9.603 1.00 0.00 O ATOM 985 CB ASP A 64 2.245 -1.568 10.351 1.00 0.00 C ATOM 986 CG ASP A 64 2.078 -1.188 11.809 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.545 -0.096 12.195 1.00 0.00 O ATOM 988 OD2 ASP A 64 1.481 -1.983 12.565 1.00 0.00 O ATOM 0 H ASP A 64 1.291 -2.212 8.165 1.00 0.00 H new ATOM 0 HA ASP A 64 0.796 -0.036 9.928 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.801 -2.549 10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.307 -1.654 10.120 1.00 0.00 H new ATOM 993 N LEU A 65 3.352 0.183 7.896 1.00 0.00 N ATOM 994 CA LEU A 65 4.372 1.088 7.379 1.00 0.00 C ATOM 995 C LEU A 65 3.736 2.320 6.745 1.00 0.00 C ATOM 996 O LEU A 65 4.143 3.450 7.015 1.00 0.00 O ATOM 997 CB LEU A 65 5.250 0.367 6.355 1.00 0.00 C ATOM 998 CG LEU A 65 6.227 -0.652 6.942 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.813 -1.526 5.844 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.334 0.054 7.711 1.00 0.00 C ATOM 0 H LEU A 65 3.245 -0.681 7.364 1.00 0.00 H new ATOM 0 HA LEU A 65 4.992 1.413 8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.604 -0.142 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.818 1.112 5.797 1.00 0.00 H new ATOM 0 HG LEU A 65 5.681 -1.293 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.506 -2.245 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.010 -2.060 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.344 -0.901 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.021 -0.686 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.877 0.719 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.899 0.636 8.523 1.00 0.00 H new ATOM 1012 N VAL A 66 2.734 2.095 5.900 1.00 0.00 N ATOM 1013 CA VAL A 66 2.041 3.187 5.228 1.00 0.00 C ATOM 1014 C VAL A 66 1.413 4.143 6.236 1.00 0.00 C ATOM 1015 O VAL A 66 1.451 5.360 6.059 1.00 0.00 O ATOM 1016 CB VAL A 66 0.945 2.660 4.284 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.357 3.795 3.460 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.497 1.564 3.381 1.00 0.00 C ATOM 0 H VAL A 66 2.385 1.166 5.665 1.00 0.00 H new ATOM 0 HA VAL A 66 2.788 3.722 4.642 1.00 0.00 H new ATOM 0 HB VAL A 66 0.146 2.231 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.416 3.402 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.079 4.540 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.144 4.257 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.708 1.204 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.316 1.964 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.863 0.739 3.992 1.00 0.00 H new ATOM 1028 N GLN A 67 0.834 3.583 7.293 1.00 0.00 N ATOM 1029 CA GLN A 67 0.197 4.387 8.330 1.00 0.00 C ATOM 1030 C GLN A 67 1.227 5.227 9.078 1.00 0.00 C ATOM 1031 O GLN A 67 0.927 6.325 9.545 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.555 3.486 9.313 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.821 2.879 8.733 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.179 1.553 9.377 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.306 0.818 9.839 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.470 1.242 9.411 1.00 0.00 N ATOM 0 H GLN A 67 0.793 2.577 7.454 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.512 5.060 7.848 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.107 2.683 9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.813 4.065 10.200 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.648 3.577 8.864 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.692 2.735 7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.159 1.882 9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.772 0.364 9.832 1.00 0.00 H new ATOM 1045 N SER A 68 2.444 4.702 9.189 1.00 0.00 N ATOM 1046 CA SER A 68 3.519 5.403 9.881 1.00 0.00 C ATOM 1047 C SER A 68 4.036 6.567 9.042 1.00 0.00 C ATOM 1048 O SER A 68 4.439 7.600 9.578 1.00 0.00 O ATOM 1049 CB SER A 68 4.664 4.439 10.197 1.00 0.00 C ATOM 1050 OG SER A 68 4.247 3.429 11.099 1.00 0.00 O ATOM 0 H SER A 68 2.709 3.794 8.808 1.00 0.00 H new ATOM 0 HA SER A 68 3.120 5.800 10.814 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.023 3.982 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.500 4.991 10.626 1.00 0.00 H new ATOM 0 HG SER A 68 3.745 2.743 10.612 1.00 0.00 H new ATOM 1056 N LYS A 69 4.022 6.393 7.725 1.00 0.00 N ATOM 1057 CA LYS A 69 4.488 7.430 6.812 1.00 0.00 C ATOM 1058 C LYS A 69 3.581 8.655 6.870 1.00 0.00 C ATOM 1059 O LYS A 69 4.024 9.751 7.212 1.00 0.00 O ATOM 1060 CB LYS A 69 4.546 6.891 5.381 1.00 0.00 C ATOM 1061 CG LYS A 69 5.511 5.730 5.207 1.00 0.00 C ATOM 1062 CD LYS A 69 5.266 4.993 3.901 1.00 0.00 C ATOM 1063 CE LYS A 69 5.744 3.552 3.978 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.099 3.448 4.586 1.00 0.00 N ATOM 0 H LYS A 69 3.693 5.544 7.266 1.00 0.00 H new ATOM 0 HA LYS A 69 5.490 7.728 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.548 6.571 5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.837 7.698 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.536 6.101 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.404 5.038 6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.202 5.013 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.782 5.506 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.037 2.966 4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.761 3.121 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.396 2.451 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.776 4.000 4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.073 3.820 5.557 1.00 0.00 H new ATOM 1078 N GLY A 70 2.310 8.460 6.535 1.00 0.00 N ATOM 1079 CA GLY A 70 1.361 9.557 6.556 1.00 0.00 C ATOM 1080 C GLY A 70 0.197 9.338 5.610 1.00 0.00 C ATOM 1081 O GLY A 70 -0.097 8.205 5.229 1.00 0.00 O ATOM 0 H GLY A 70 1.920 7.562 6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.982 9.685 7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.873 10.481 6.288 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.466 10.426 5.229 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.605 10.347 4.321 1.00 0.00 C ATOM 1087 C GLU A 71 -1.149 10.398 2.866 1.00 0.00 C ATOM 1088 O GLU A 71 -1.812 9.862 1.979 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.587 11.487 4.602 1.00 0.00 C ATOM 1090 CG GLU A 71 -4.042 11.048 4.610 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.983 12.137 4.135 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.697 12.754 3.087 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -6.008 12.373 4.808 1.00 0.00 O ATOM 0 H GLU A 71 -0.234 11.371 5.535 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.107 9.394 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.346 11.934 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.455 12.264 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.156 10.171 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.321 10.747 5.620 1.00 0.00 H new ATOM 1100 N GLU A 72 -0.011 11.044 2.628 1.00 0.00 N ATOM 1101 CA GLU A 72 0.533 11.165 1.280 1.00 0.00 C ATOM 1102 C GLU A 72 0.745 9.790 0.651 1.00 0.00 C ATOM 1103 O GLU A 72 0.356 9.554 -0.492 1.00 0.00 O ATOM 1104 CB GLU A 72 1.856 11.933 1.308 1.00 0.00 C ATOM 1105 CG GLU A 72 2.105 12.763 0.060 1.00 0.00 C ATOM 1106 CD GLU A 72 3.563 13.140 -0.108 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.009 14.099 0.558 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.260 12.478 -0.904 1.00 0.00 O ATOM 0 H GLU A 72 0.552 11.492 3.351 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.187 11.715 0.674 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.867 12.589 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.675 11.225 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.775 12.204 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.502 13.670 0.105 1.00 0.00 H new ATOM 1115 N VAL A 73 1.361 8.888 1.407 1.00 0.00 N ATOM 1116 CA VAL A 73 1.622 7.538 0.924 1.00 0.00 C ATOM 1117 C VAL A 73 0.374 6.667 1.027 1.00 0.00 C ATOM 1118 O VAL A 73 0.176 5.751 0.229 1.00 0.00 O ATOM 1119 CB VAL A 73 2.766 6.870 1.712 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.133 5.530 1.090 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.980 7.786 1.774 1.00 0.00 C ATOM 0 H VAL A 73 1.689 9.067 2.356 1.00 0.00 H new ATOM 0 HA VAL A 73 1.915 7.628 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 73 2.422 6.691 2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.942 5.074 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.264 4.872 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.456 5.683 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.777 7.297 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.326 8.000 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.708 8.718 2.269 1.00 0.00 H new ATOM 1131 N SER A 74 -0.466 6.959 2.016 1.00 0.00 N ATOM 1132 CA SER A 74 -1.695 6.202 2.223 1.00 0.00 C ATOM 1133 C SER A 74 -2.613 6.310 1.010 1.00 0.00 C ATOM 1134 O SER A 74 -3.136 5.307 0.525 1.00 0.00 O ATOM 1135 CB SER A 74 -2.421 6.704 3.473 1.00 0.00 C ATOM 1136 OG SER A 74 -3.634 6.001 3.675 1.00 0.00 O ATOM 0 H SER A 74 -0.318 7.714 2.686 1.00 0.00 H new ATOM 0 HA SER A 74 -1.428 5.154 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.777 6.583 4.344 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.627 7.770 3.374 1.00 0.00 H new ATOM 0 HG SER A 74 -4.153 6.441 4.380 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.807 7.533 0.526 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.662 7.770 -0.630 1.00 0.00 C ATOM 1144 C GLU A 75 -3.140 7.030 -1.857 1.00 0.00 C ATOM 1145 O GLU A 75 -3.915 6.473 -2.634 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.754 9.268 -0.925 1.00 0.00 C ATOM 1147 CG GLU A 75 -5.009 9.663 -1.685 1.00 0.00 C ATOM 1148 CD GLU A 75 -5.046 11.141 -2.022 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -4.326 11.919 -1.361 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.795 11.521 -2.946 1.00 0.00 O ATOM 0 H GLU A 75 -2.383 8.374 0.917 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.657 7.390 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.721 9.818 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.880 9.570 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.069 9.083 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.885 9.408 -1.089 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.821 7.026 -2.024 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.196 6.353 -3.156 1.00 0.00 C ATOM 1159 C PHE A 76 -1.356 4.841 -3.047 1.00 0.00 C ATOM 1160 O PHE A 76 -1.694 4.170 -4.023 1.00 0.00 O ATOM 1161 CB PHE A 76 0.289 6.715 -3.236 1.00 0.00 C ATOM 1162 CG PHE A 76 0.959 6.231 -4.490 1.00 0.00 C ATOM 1163 CD1 PHE A 76 1.442 4.936 -4.577 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.106 7.073 -5.581 1.00 0.00 C ATOM 1165 CE1 PHE A 76 2.059 4.487 -5.730 1.00 0.00 C ATOM 1166 CE2 PHE A 76 1.722 6.631 -6.736 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.200 5.337 -6.811 1.00 0.00 C ATOM 0 H PHE A 76 -1.165 7.481 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.695 6.689 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.394 7.798 -3.173 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.804 6.294 -2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.335 4.269 -3.734 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.735 8.086 -5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.430 3.474 -5.786 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.830 7.297 -7.580 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.683 4.990 -7.713 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.113 4.311 -1.853 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.231 2.877 -1.614 1.00 0.00 C ATOM 1179 C PHE A 77 -2.647 2.390 -1.904 1.00 0.00 C ATOM 1180 O PHE A 77 -2.842 1.317 -2.474 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.853 2.547 -0.169 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.863 1.076 0.134 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.075 0.231 -0.437 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.812 0.539 0.988 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.068 -1.123 -0.159 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.825 -0.814 1.269 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.884 -1.647 0.695 1.00 0.00 C ATOM 0 H PHE A 77 -0.833 4.853 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.545 2.365 -2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.140 2.945 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.546 3.053 0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.820 0.635 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.550 1.185 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.806 -1.771 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.570 -1.220 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.892 -2.705 0.913 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.634 3.187 -1.506 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.033 2.838 -1.723 1.00 0.00 C ATOM 1199 C LEU A 78 -5.426 3.037 -3.184 1.00 0.00 C ATOM 1200 O LEU A 78 -6.292 2.336 -3.705 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.937 3.680 -0.819 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.883 3.319 0.666 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.498 4.427 1.506 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.594 1.998 0.918 1.00 0.00 C ATOM 0 H LEU A 78 -3.490 4.079 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.161 1.785 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.663 4.729 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.966 3.580 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.839 3.208 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.451 4.153 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.946 5.353 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.538 4.570 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.546 1.756 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.637 2.082 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.109 1.209 0.344 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.783 4.001 -3.838 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.066 4.291 -5.239 1.00 0.00 C ATOM 1218 C TYR A 79 -4.752 3.087 -6.120 1.00 0.00 C ATOM 1219 O TYR A 79 -5.502 2.766 -7.042 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.257 5.504 -5.703 1.00 0.00 C ATOM 1221 CG TYR A 79 -4.988 6.377 -6.698 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -4.999 6.061 -8.050 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.667 7.516 -6.284 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.666 6.858 -8.963 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.336 8.316 -7.189 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.333 7.984 -8.528 1.00 0.00 C ATOM 1227 OH TYR A 79 -6.998 8.778 -9.432 1.00 0.00 O ATOM 0 H TYR A 79 -4.064 4.593 -3.421 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.129 4.515 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.989 6.105 -4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.326 5.159 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.479 5.179 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.672 7.780 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.664 6.600 -10.012 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.859 9.198 -6.850 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.416 9.530 -8.962 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.636 2.425 -5.832 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.221 1.256 -6.599 1.00 0.00 C ATOM 1239 C LEU A 80 -4.268 0.150 -6.517 1.00 0.00 C ATOM 1240 O LEU A 80 -4.486 -0.584 -7.481 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.874 0.738 -6.090 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.692 1.681 -6.312 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.459 1.321 -5.384 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.242 1.638 -7.764 1.00 0.00 C ATOM 0 H LEU A 80 -3.003 2.678 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.117 1.556 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.960 0.534 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.659 -0.212 -6.580 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.013 2.697 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.292 2.003 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.130 1.403 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.780 0.298 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.600 2.315 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.062 0.623 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.065 1.945 -8.409 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.913 0.035 -5.360 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.937 -0.982 -5.154 1.00 0.00 C ATOM 1258 C LEU A 81 -7.079 -0.817 -6.151 1.00 0.00 C ATOM 1259 O LEU A 81 -7.717 -1.793 -6.546 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.476 -0.911 -3.724 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.609 -1.601 -2.669 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.777 -0.926 -1.316 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.959 -3.078 -2.577 1.00 0.00 C ATOM 0 H LEU A 81 -4.744 0.634 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.480 -1.959 -5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.592 0.137 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.470 -1.358 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.565 -1.513 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.153 -1.430 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.478 0.119 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.821 -0.983 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.333 -3.554 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.008 -3.187 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.787 -3.553 -3.543 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.332 0.424 -6.553 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.399 0.716 -7.504 1.00 0.00 C ATOM 1277 C GLN A 82 -7.927 0.486 -8.937 1.00 0.00 C ATOM 1278 O GLN A 82 -8.675 -0.023 -9.773 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.881 2.159 -7.334 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.275 2.266 -6.735 1.00 0.00 C ATOM 1281 CD GLN A 82 -11.238 3.029 -7.624 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.977 4.169 -8.008 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -12.359 2.401 -7.958 1.00 0.00 N ATOM 0 H GLN A 82 -6.814 1.243 -6.236 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.229 0.039 -7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.178 2.696 -6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.873 2.653 -8.305 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.667 1.265 -6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.212 2.761 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.535 1.456 -7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.044 2.864 -8.555 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.684 0.865 -9.215 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.114 0.700 -10.547 1.00 0.00 C ATOM 1294 C GLN A 83 -5.782 -0.763 -10.821 1.00 0.00 C ATOM 1295 O GLN A 83 -5.846 -1.222 -11.962 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.857 1.560 -10.697 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.809 2.344 -11.999 1.00 0.00 C ATOM 1298 CD GLN A 83 -3.785 1.796 -12.974 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -2.815 2.469 -13.320 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.998 0.564 -13.424 1.00 0.00 N ATOM 0 H GLN A 83 -6.052 1.289 -8.536 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.857 1.026 -11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.801 2.257 -9.861 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.978 0.918 -10.636 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.794 2.327 -12.465 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.577 3.387 -11.782 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.816 0.041 -13.111 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.344 0.141 -14.083 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.427 -1.492 -9.768 1.00 0.00 N ATOM 1310 CA LEU A 84 -5.084 -2.904 -9.894 1.00 0.00 C ATOM 1311 C LEU A 84 -6.315 -3.794 -9.717 1.00 0.00 C ATOM 1312 O LEU A 84 -6.260 -4.997 -9.972 1.00 0.00 O ATOM 1313 CB LEU A 84 -4.016 -3.284 -8.866 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.610 -2.763 -9.170 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.702 -2.945 -7.964 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.033 -3.470 -10.387 1.00 0.00 C ATOM 0 H LEU A 84 -5.369 -1.128 -8.817 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.691 -3.062 -10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.323 -2.908 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.976 -4.371 -8.791 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.676 -1.698 -9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.706 -2.569 -8.198 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.108 -2.393 -7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.640 -4.004 -7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.033 -3.088 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.980 -4.541 -10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.673 -3.288 -11.251 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.424 -3.200 -9.280 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.661 -3.945 -9.071 1.00 0.00 C ATOM 1330 C ALA A 85 -9.061 -4.720 -10.324 1.00 0.00 C ATOM 1331 O ALA A 85 -9.754 -5.734 -10.241 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.779 -3.003 -8.653 1.00 0.00 C ATOM 0 H ALA A 85 -7.490 -2.205 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.488 -4.666 -8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.696 -3.572 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.504 -2.502 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.939 -2.259 -9.434 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.621 -4.237 -11.483 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.936 -4.888 -12.750 1.00 0.00 C ATOM 1340 C ASP A 86 -8.465 -6.339 -12.752 1.00 0.00 C ATOM 1341 O ASP A 86 -9.066 -7.197 -13.400 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.289 -4.129 -13.910 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.065 -4.279 -15.204 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -10.106 -3.605 -15.353 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -8.631 -5.071 -16.068 1.00 0.00 O ATOM 0 H ASP A 86 -8.046 -3.399 -11.570 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.019 -4.878 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.217 -3.072 -13.654 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.272 -4.492 -14.056 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.387 -6.608 -12.020 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.839 -7.956 -11.937 1.00 0.00 C ATOM 1352 C ALA A 87 -7.111 -8.575 -10.571 1.00 0.00 C ATOM 1353 O ALA A 87 -6.317 -9.371 -10.069 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.344 -7.935 -12.221 1.00 0.00 C ATOM 0 H ALA A 87 -6.877 -5.911 -11.477 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.333 -8.570 -12.690 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.947 -8.948 -12.156 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.169 -7.541 -13.222 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.843 -7.301 -11.489 1.00 0.00 H new ATOM 1360 N TYR A 88 -8.239 -8.205 -9.974 1.00 0.00 N ATOM 1361 CA TYR A 88 -8.617 -8.724 -8.664 1.00 0.00 C ATOM 1362 C TYR A 88 -10.072 -9.182 -8.660 1.00 0.00 C ATOM 1363 O TYR A 88 -10.853 -8.810 -9.536 1.00 0.00 O ATOM 1364 CB TYR A 88 -8.403 -7.657 -7.590 1.00 0.00 C ATOM 1365 CG TYR A 88 -7.043 -7.725 -6.930 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -6.759 -8.699 -5.981 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -6.046 -6.814 -7.255 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -5.518 -8.764 -5.375 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.803 -6.874 -6.654 1.00 0.00 C ATOM 1370 CZ TYR A 88 -4.544 -7.849 -5.716 1.00 0.00 C ATOM 1371 OH TYR A 88 -3.308 -7.911 -5.115 1.00 0.00 O ATOM 0 H TYR A 88 -8.907 -7.548 -10.376 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.984 -9.584 -8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.531 -6.672 -8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.174 -7.762 -6.826 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.520 -9.417 -5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.245 -6.047 -7.989 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -5.312 -9.527 -4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.038 -6.159 -6.919 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.737 -7.197 -5.467 1.00 0.00 H new ATOM 1381 N VAL A 89 -10.429 -9.991 -7.668 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.789 -10.499 -7.547 1.00 0.00 C ATOM 1383 C VAL A 89 -12.229 -10.547 -6.087 1.00 0.00 C ATOM 1384 O VAL A 89 -12.948 -11.457 -5.673 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.920 -11.907 -8.159 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -11.802 -11.845 -9.674 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -10.874 -12.843 -7.573 1.00 0.00 C ATOM 0 H VAL A 89 -9.794 -10.309 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.434 -9.812 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.906 -12.300 -7.911 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.897 -12.849 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.593 -11.211 -10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.831 -11.431 -9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.982 -13.833 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.878 -12.456 -7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.012 -12.912 -6.494 1.00 0.00 H new ATOM 1397 N ASP A 90 -11.789 -9.562 -5.311 1.00 0.00 N ATOM 1398 CA ASP A 90 -12.135 -9.492 -3.896 1.00 0.00 C ATOM 1399 C ASP A 90 -12.306 -8.043 -3.443 1.00 0.00 C ATOM 1400 O ASP A 90 -13.241 -7.720 -2.711 1.00 0.00 O ATOM 1401 CB ASP A 90 -11.059 -10.178 -3.052 1.00 0.00 C ATOM 1402 CG ASP A 90 -11.645 -10.967 -1.898 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -12.778 -10.652 -1.480 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -10.970 -11.900 -1.413 1.00 0.00 O ATOM 0 H ASP A 90 -11.193 -8.802 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.084 -10.010 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.475 -10.846 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.372 -9.426 -2.663 1.00 0.00 H new ATOM 1409 N LEU A 91 -11.397 -7.177 -3.882 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.449 -5.765 -3.519 1.00 0.00 C ATOM 1411 C LEU A 91 -12.172 -4.946 -4.585 1.00 0.00 C ATOM 1412 O LEU A 91 -11.910 -3.755 -4.749 1.00 0.00 O ATOM 1413 CB LEU A 91 -10.034 -5.218 -3.317 1.00 0.00 C ATOM 1414 CG LEU A 91 -9.081 -6.146 -2.558 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.757 -6.276 -3.296 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.854 -5.638 -1.141 1.00 0.00 C ATOM 0 H LEU A 91 -10.617 -7.428 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.006 -5.680 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.603 -5.000 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.100 -4.272 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.540 -7.133 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.094 -6.939 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.933 -6.688 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.294 -5.294 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.174 -6.311 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.419 -4.639 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.806 -5.600 -0.611 1.00 0.00 H new ATOM 1428 N ARG A 92 -13.083 -5.590 -5.308 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.841 -4.917 -6.357 1.00 0.00 C ATOM 1430 C ARG A 92 -14.912 -4.006 -5.759 1.00 0.00 C ATOM 1431 O ARG A 92 -14.895 -2.793 -5.971 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.487 -5.943 -7.290 1.00 0.00 C ATOM 1433 CG ARG A 92 -13.647 -6.264 -8.516 1.00 0.00 C ATOM 1434 CD ARG A 92 -14.497 -6.323 -9.776 1.00 0.00 C ATOM 1435 NE ARG A 92 -13.705 -6.098 -10.982 1.00 0.00 N ATOM 1436 CZ ARG A 92 -13.273 -4.901 -11.373 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -13.555 -3.819 -10.656 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -12.557 -4.783 -12.482 1.00 0.00 N ATOM 0 H ARG A 92 -13.314 -6.576 -5.187 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.148 -4.302 -6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -14.670 -6.863 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.458 -5.567 -7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.871 -5.508 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.142 -7.219 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.985 -7.296 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.287 -5.574 -9.716 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.469 -6.905 -11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.105 -3.903 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.221 -2.904 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.336 -5.610 -13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.227 -3.865 -12.781 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.864 -4.580 -5.001 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.944 -3.811 -4.376 1.00 0.00 C ATOM 1454 C PRO A 93 -16.453 -2.956 -3.212 1.00 0.00 C ATOM 1455 O PRO A 93 -17.065 -1.944 -2.872 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.905 -4.891 -3.877 1.00 0.00 C ATOM 1457 CG PRO A 93 -17.046 -6.087 -3.656 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.961 -6.021 -4.696 1.00 0.00 C ATOM 0 HA PRO A 93 -17.397 -3.106 -5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.402 -4.585 -2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.687 -5.094 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.623 -6.083 -2.651 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.624 -7.006 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.018 -6.416 -4.318 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.218 -6.602 -5.582 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.345 -3.370 -2.603 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.774 -2.639 -1.477 1.00 0.00 C ATOM 1468 C TRP A 94 -14.446 -1.201 -1.868 1.00 0.00 C ATOM 1469 O TRP A 94 -14.495 -0.296 -1.036 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.513 -3.344 -0.972 1.00 0.00 C ATOM 1471 CG TRP A 94 -12.901 -2.681 0.226 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.392 -2.676 1.500 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.686 -1.924 0.259 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.555 -1.963 2.324 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.501 -1.491 1.586 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.736 -1.571 -0.703 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.405 -0.725 1.972 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.649 -0.810 -0.319 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.491 -0.394 1.010 1.00 0.00 C ATOM 0 H TRP A 94 -14.826 -4.206 -2.870 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.515 -2.617 -0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.758 -4.376 -0.722 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.777 -3.377 -1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.304 -3.161 1.814 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -12.695 -1.810 3.323 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.850 -1.888 -1.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.281 -0.403 2.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.909 -0.531 -1.055 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.630 0.200 1.280 1.00 0.00 H new ATOM 1490 N LEU A 95 -14.112 -1.000 -3.139 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.776 0.327 -3.639 1.00 0.00 C ATOM 1492 C LEU A 95 -15.038 1.135 -3.928 1.00 0.00 C ATOM 1493 O LEU A 95 -15.062 2.353 -3.750 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.927 0.218 -4.908 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.716 -0.710 -4.797 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.289 -1.195 -6.174 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.566 -0.002 -4.098 1.00 0.00 C ATOM 0 H LEU A 95 -14.067 -1.739 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.203 0.843 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.561 -0.132 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.579 1.214 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.998 -1.577 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.426 -1.854 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.111 -1.740 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.023 -0.339 -6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.713 -0.676 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.283 0.883 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.877 0.296 -3.097 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.085 0.448 -4.374 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.350 1.102 -4.688 1.00 0.00 C ATOM 1511 C LEU A 96 -18.121 1.436 -3.415 1.00 0.00 C ATOM 1512 O LEU A 96 -18.856 2.422 -3.362 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.200 0.206 -5.591 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.958 0.384 -7.092 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.147 -0.935 -7.824 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.886 1.448 -7.657 1.00 0.00 C ATOM 0 H LEU A 96 -16.082 -0.561 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.129 2.032 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.009 -0.835 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.252 0.399 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.929 0.712 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.971 -0.788 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.441 -1.670 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.165 -1.294 -7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.701 1.562 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.922 1.149 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.701 2.397 -7.153 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.949 0.608 -2.389 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.630 0.816 -1.116 1.00 0.00 C ATOM 1530 C GLU A 97 -18.202 2.135 -0.480 1.00 0.00 C ATOM 1531 O GLU A 97 -18.996 3.068 -0.369 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.338 -0.346 -0.163 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.473 -1.351 -0.065 1.00 0.00 C ATOM 1534 CD GLU A 97 -19.065 -2.623 0.654 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -18.409 -3.477 0.022 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -19.404 -2.765 1.847 1.00 0.00 O ATOM 0 H GLU A 97 -17.344 -0.213 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.702 0.858 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.436 -0.860 -0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.130 0.053 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.313 -0.895 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.820 -1.600 -1.068 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.941 2.204 -0.064 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.409 3.408 0.561 1.00 0.00 C ATOM 1545 C ILE A 98 -16.504 4.605 -0.379 1.00 0.00 C ATOM 1546 O ILE A 98 -16.761 5.729 0.055 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.940 3.218 0.985 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -14.078 2.857 -0.226 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.833 2.145 2.059 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.611 2.686 0.106 1.00 0.00 C ATOM 0 H ILE A 98 -16.270 1.441 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 98 -17.014 3.597 1.447 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.573 4.157 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.453 1.933 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.183 3.636 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.789 2.022 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.418 2.442 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.215 1.201 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.060 2.431 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.220 3.616 0.518 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.494 1.887 0.839 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.296 4.357 -1.667 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.363 5.424 -2.649 1.00 0.00 C ATOM 1564 C GLY A 99 -15.014 6.067 -2.899 1.00 0.00 C ATOM 1565 O GLY A 99 -14.808 7.238 -2.580 1.00 0.00 O ATOM 0 H GLY A 99 -16.082 3.436 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.752 5.027 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.067 6.184 -2.308 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.092 5.301 -3.471 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.754 5.802 -3.766 1.00 0.00 C ATOM 1571 C PHE A 100 -12.689 6.389 -5.172 1.00 0.00 C ATOM 1572 O PHE A 100 -11.918 7.313 -5.434 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.723 4.682 -3.619 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.349 5.174 -3.263 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.475 5.601 -4.249 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.932 5.208 -1.942 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.209 6.054 -3.925 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.669 5.658 -1.611 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.806 6.082 -2.604 1.00 0.00 C ATOM 0 H PHE A 100 -14.246 4.329 -3.740 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.525 6.593 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -12.061 3.986 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.669 4.124 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.786 5.580 -5.283 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.603 4.879 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.537 6.385 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.356 5.679 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.818 6.435 -2.347 1.00 0.00 H new