USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 678 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 97 HIS : no HD1:sc= -3.39! C(o=-3.5!,f=-2.9!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -0.114 X(o=-3.5,f=-3.1) USER MOD Set 2.1: A 33 ASN : amide:sc= 0 K(o=-2.2,f=-3.3) USER MOD Set 2.2: A 54 ASN : amide:sc= -2.16! C(o=-2.2!,f=-9.6!) USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= -0.279 USER MOD Set 3.2: A 39 ASN : amide:sc= -0.625 K(o=-0.9,f=-0.31) USER MOD Single : A 15 ASN : amide:sc= -1.54! K(o=-1.5!,f=-0.012) USER MOD Single : A 17 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.6) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0.924 (180deg=0.508) USER MOD Single : A 20 LYS NZ :NH3+ -135:sc= 1.11 (180deg=-0.912) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.767 USER MOD Single : A 24 TYR OH : rot -100:sc= -0.589 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -3.53! C(o=-3.5!,f=-5.7!) USER MOD Single : A 28 ASN : amide:sc= -6.25! C(o=-6.3!,f=-6.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.942 K(o=-0.94,f=-2.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 55 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0837) USER MOD Single : A 58 ASN : amide:sc= -0.0418 X(o=-0.042,f=-0.54) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -0.0958 (180deg=-0.638) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 11:sc= -0.34 USER MOD Single : A 73 SER OG : rot 180:sc= 0.00605 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -148:sc= -0.244 (180deg=-1.52!) USER MOD Single : A 81 GLN : amide:sc= -4.03! C(o=-4!,f=-7.4!) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= -0.963 (180deg=-0.987) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-1.3!) USER MOD Single : A 94 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.17) USER MOD Single : A 95 HIS : no HD1:sc= -7.06! C(o=-7.1!,f=-9.8!) USER MOD Single : A 96 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -8.795 12.989 -12.874 1.00 0.00 N ATOM 2 CA ALA A 12 -7.744 12.841 -11.817 1.00 0.00 C ATOM 3 C ALA A 12 -8.310 12.003 -10.668 1.00 0.00 C ATOM 4 O ALA A 12 -7.802 12.018 -9.565 1.00 0.00 O ATOM 5 CB ALA A 12 -7.358 14.229 -11.299 1.00 0.00 C ATOM 0 HA ALA A 12 -6.863 12.349 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.593 14.130 -10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.969 14.829 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.237 14.717 -10.877 1.00 0.00 H new ATOM 11 N PHE A 13 -9.363 11.272 -10.925 1.00 0.00 N ATOM 12 CA PHE A 13 -9.983 10.420 -9.862 1.00 0.00 C ATOM 13 C PHE A 13 -8.972 9.371 -9.384 1.00 0.00 C ATOM 14 O PHE A 13 -8.843 9.093 -8.207 1.00 0.00 O ATOM 15 CB PHE A 13 -11.210 9.706 -10.438 1.00 0.00 C ATOM 16 CG PHE A 13 -11.950 9.004 -9.323 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.762 9.744 -8.456 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.820 7.621 -9.152 1.00 0.00 C ATOM 19 CE1 PHE A 13 -13.445 9.102 -7.418 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.503 6.978 -8.113 1.00 0.00 C ATOM 21 CZ PHE A 13 -13.317 7.719 -7.245 1.00 0.00 C ATOM 0 H PHE A 13 -9.825 11.227 -11.833 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.279 11.050 -9.023 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.866 10.425 -10.929 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.903 8.985 -11.196 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.861 10.811 -8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.193 7.050 -9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.072 9.674 -6.750 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.403 5.911 -7.980 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.845 7.223 -6.444 1.00 0.00 H new ATOM 31 N PHE A 14 -8.268 8.769 -10.295 1.00 0.00 N ATOM 32 CA PHE A 14 -7.269 7.727 -9.913 1.00 0.00 C ATOM 33 C PHE A 14 -6.087 8.363 -9.172 1.00 0.00 C ATOM 34 O PHE A 14 -5.505 7.772 -8.283 1.00 0.00 O ATOM 35 CB PHE A 14 -6.756 7.036 -11.173 1.00 0.00 C ATOM 36 CG PHE A 14 -7.861 6.198 -11.769 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.140 4.934 -11.240 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.609 6.687 -12.847 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.168 4.157 -11.786 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.637 5.911 -13.395 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.917 4.645 -12.864 1.00 0.00 C ATOM 0 H PHE A 14 -8.339 8.952 -11.296 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.750 7.002 -9.256 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.417 7.778 -11.896 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.897 6.409 -10.933 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.562 4.557 -10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.393 7.663 -13.256 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.384 3.181 -11.376 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.214 6.288 -14.227 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.710 4.046 -13.286 1.00 0.00 H new ATOM 51 N ASN A 15 -5.710 9.552 -9.549 1.00 0.00 N ATOM 52 CA ASN A 15 -4.547 10.216 -8.885 1.00 0.00 C ATOM 53 C ASN A 15 -4.843 10.445 -7.400 1.00 0.00 C ATOM 54 O ASN A 15 -4.022 10.187 -6.541 1.00 0.00 O ATOM 55 CB ASN A 15 -4.305 11.571 -9.552 1.00 0.00 C ATOM 56 CG ASN A 15 -3.823 11.367 -10.990 1.00 0.00 C ATOM 57 OD1 ASN A 15 -3.907 12.267 -11.803 1.00 0.00 O ATOM 58 ND2 ASN A 15 -3.325 10.215 -11.346 1.00 0.00 N ATOM 0 H ASN A 15 -6.155 10.096 -10.288 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.669 9.578 -8.982 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.224 12.157 -9.547 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.563 12.136 -8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.007 10.071 -12.304 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.253 9.458 -10.666 1.00 0.00 H new ATOM 65 N GLU A 16 -6.013 10.924 -7.091 1.00 0.00 N ATOM 66 CA GLU A 16 -6.371 11.169 -5.661 1.00 0.00 C ATOM 67 C GLU A 16 -6.522 9.831 -4.928 1.00 0.00 C ATOM 68 O GLU A 16 -6.182 9.701 -3.769 1.00 0.00 O ATOM 69 CB GLU A 16 -7.693 11.943 -5.590 1.00 0.00 C ATOM 70 CG GLU A 16 -8.747 11.241 -6.452 1.00 0.00 C ATOM 71 CD GLU A 16 -10.083 11.979 -6.342 1.00 0.00 C ATOM 72 OE1 GLU A 16 -10.063 13.196 -6.276 1.00 0.00 O ATOM 73 OE2 GLU A 16 -11.104 11.311 -6.327 1.00 0.00 O ATOM 0 H GLU A 16 -6.741 11.158 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.581 11.752 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.035 12.004 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.546 12.966 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.421 11.214 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.865 10.207 -6.128 1.00 0.00 H new ATOM 80 N GLN A 17 -7.036 8.839 -5.595 1.00 0.00 N ATOM 81 CA GLN A 17 -7.218 7.509 -4.942 1.00 0.00 C ATOM 82 C GLN A 17 -5.853 6.938 -4.551 1.00 0.00 C ATOM 83 O GLN A 17 -5.675 6.396 -3.477 1.00 0.00 O ATOM 84 CB GLN A 17 -7.902 6.555 -5.927 1.00 0.00 C ATOM 85 CG GLN A 17 -9.388 6.902 -6.048 1.00 0.00 C ATOM 86 CD GLN A 17 -10.099 6.545 -4.742 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.947 5.452 -4.233 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.873 7.426 -4.173 1.00 0.00 N ATOM 0 H GLN A 17 -7.340 8.889 -6.567 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.833 7.622 -4.049 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.424 6.624 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.787 5.526 -5.588 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.509 7.964 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.834 6.356 -6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.001 8.344 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.351 7.198 -3.301 1.00 0.00 H new ATOM 97 N LYS A 18 -4.888 7.065 -5.414 1.00 0.00 N ATOM 98 CA LYS A 18 -3.527 6.543 -5.097 1.00 0.00 C ATOM 99 C LYS A 18 -2.950 7.325 -3.917 1.00 0.00 C ATOM 100 O LYS A 18 -2.323 6.776 -3.031 1.00 0.00 O ATOM 101 CB LYS A 18 -2.621 6.725 -6.318 1.00 0.00 C ATOM 102 CG LYS A 18 -3.052 5.763 -7.427 1.00 0.00 C ATOM 103 CD LYS A 18 -2.173 5.974 -8.663 1.00 0.00 C ATOM 104 CE LYS A 18 -2.641 5.045 -9.786 1.00 0.00 C ATOM 105 NZ LYS A 18 -2.509 3.627 -9.346 1.00 0.00 N ATOM 0 H LYS A 18 -4.980 7.508 -6.328 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.588 5.485 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.676 7.754 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.583 6.538 -6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.968 4.733 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.099 5.930 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.228 7.013 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.130 5.771 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.678 5.262 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.047 5.215 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.663 2.996 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.555 3.470 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.216 3.424 -8.611 1.00 0.00 H new ATOM 119 N GLU A 19 -3.158 8.610 -3.909 1.00 0.00 N ATOM 120 CA GLU A 19 -2.630 9.459 -2.802 1.00 0.00 C ATOM 121 C GLU A 19 -3.237 9.015 -1.467 1.00 0.00 C ATOM 122 O GLU A 19 -2.556 8.906 -0.466 1.00 0.00 O ATOM 123 CB GLU A 19 -3.024 10.915 -3.073 1.00 0.00 C ATOM 124 CG GLU A 19 -2.430 11.823 -1.995 1.00 0.00 C ATOM 125 CD GLU A 19 -2.774 13.283 -2.300 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.611 13.508 -3.160 1.00 0.00 O ATOM 127 OE2 GLU A 19 -2.194 14.150 -1.668 1.00 0.00 O ATOM 0 H GLU A 19 -3.676 9.115 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.546 9.361 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.666 11.221 -4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.110 11.011 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.821 11.545 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.348 11.695 -1.955 1.00 0.00 H new ATOM 134 N LYS A 20 -4.516 8.765 -1.449 1.00 0.00 N ATOM 135 CA LYS A 20 -5.185 8.330 -0.185 1.00 0.00 C ATOM 136 C LYS A 20 -4.623 6.978 0.265 1.00 0.00 C ATOM 137 O LYS A 20 -4.352 6.755 1.429 1.00 0.00 O ATOM 138 CB LYS A 20 -6.687 8.185 -0.439 1.00 0.00 C ATOM 139 CG LYS A 20 -7.313 9.562 -0.668 1.00 0.00 C ATOM 140 CD LYS A 20 -8.802 9.400 -0.981 1.00 0.00 C ATOM 141 CE LYS A 20 -9.416 10.770 -1.275 1.00 0.00 C ATOM 142 NZ LYS A 20 -9.270 11.649 -0.080 1.00 0.00 N ATOM 0 H LYS A 20 -5.132 8.843 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.004 9.073 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.858 7.549 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.163 7.697 0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.182 10.184 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.810 10.069 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.934 8.739 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.313 8.935 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.924 11.224 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.470 10.660 -1.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.167 12.144 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.023 11.071 0.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.518 12.346 -0.252 1.00 0.00 H new ATOM 156 N VAL A 21 -4.451 6.073 -0.653 1.00 0.00 N ATOM 157 CA VAL A 21 -3.910 4.729 -0.295 1.00 0.00 C ATOM 158 C VAL A 21 -2.469 4.870 0.204 1.00 0.00 C ATOM 159 O VAL A 21 -2.068 4.252 1.170 1.00 0.00 O ATOM 160 CB VAL A 21 -3.934 3.828 -1.533 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.214 2.511 -1.229 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.384 3.534 -1.926 1.00 0.00 C ATOM 0 H VAL A 21 -4.662 6.204 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.523 4.289 0.492 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.429 4.336 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.234 1.873 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.180 2.717 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.715 2.004 -0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.399 2.893 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.889 3.030 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.897 4.469 -2.149 1.00 0.00 H new ATOM 172 N THR A 22 -1.689 5.676 -0.457 1.00 0.00 N ATOM 173 CA THR A 22 -0.268 5.858 -0.038 1.00 0.00 C ATOM 174 C THR A 22 -0.226 6.420 1.385 1.00 0.00 C ATOM 175 O THR A 22 0.517 5.956 2.228 1.00 0.00 O ATOM 176 CB THR A 22 0.411 6.845 -0.992 1.00 0.00 C ATOM 177 OG1 THR A 22 0.422 6.303 -2.306 1.00 0.00 O ATOM 178 CG2 THR A 22 1.846 7.104 -0.533 1.00 0.00 C ATOM 0 H THR A 22 -1.973 6.219 -1.272 1.00 0.00 H new ATOM 0 HA THR A 22 0.250 4.900 -0.066 1.00 0.00 H new ATOM 0 HB THR A 22 -0.141 7.785 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.470 6.389 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.325 7.807 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.836 7.524 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.402 6.166 -0.529 1.00 0.00 H new ATOM 186 N LEU A 23 -1.019 7.413 1.657 1.00 0.00 N ATOM 187 CA LEU A 23 -1.035 8.007 3.024 1.00 0.00 C ATOM 188 C LEU A 23 -1.524 6.960 4.028 1.00 0.00 C ATOM 189 O LEU A 23 -1.002 6.830 5.119 1.00 0.00 O ATOM 190 CB LEU A 23 -1.980 9.216 3.038 1.00 0.00 C ATOM 191 CG LEU A 23 -2.055 9.822 4.450 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.645 10.195 4.940 1.00 0.00 C ATOM 193 CD2 LEU A 23 -2.943 11.074 4.423 1.00 0.00 C ATOM 0 H LEU A 23 -1.661 7.843 0.991 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.030 8.327 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.629 9.968 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.975 8.912 2.713 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.483 9.088 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.709 10.623 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.021 9.302 4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.205 10.925 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.996 11.504 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.519 11.806 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.945 10.802 4.091 1.00 0.00 H new ATOM 205 N TYR A 24 -2.531 6.222 3.662 1.00 0.00 N ATOM 206 CA TYR A 24 -3.082 5.178 4.573 1.00 0.00 C ATOM 207 C TYR A 24 -2.005 4.132 4.878 1.00 0.00 C ATOM 208 O TYR A 24 -1.800 3.738 6.009 1.00 0.00 O ATOM 209 CB TYR A 24 -4.272 4.501 3.881 1.00 0.00 C ATOM 210 CG TYR A 24 -4.740 3.318 4.697 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.608 3.510 5.778 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.297 2.028 4.373 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.033 2.412 6.534 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.723 0.932 5.130 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.591 1.124 6.209 1.00 0.00 C ATOM 216 OH TYR A 24 -6.009 0.043 6.954 1.00 0.00 O ATOM 0 H TYR A 24 -3.003 6.297 2.761 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.403 5.637 5.508 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.087 5.215 3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.984 4.173 2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.949 4.504 6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.627 1.881 3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.702 2.558 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.382 -0.062 4.881 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.307 -0.207 7.591 1.00 0.00 H new ATOM 226 N LEU A 25 -1.327 3.671 3.867 1.00 0.00 N ATOM 227 CA LEU A 25 -0.265 2.641 4.075 1.00 0.00 C ATOM 228 C LEU A 25 0.894 3.231 4.883 1.00 0.00 C ATOM 229 O LEU A 25 1.481 2.574 5.720 1.00 0.00 O ATOM 230 CB LEU A 25 0.260 2.169 2.716 1.00 0.00 C ATOM 231 CG LEU A 25 -0.832 1.390 1.969 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.353 1.081 0.545 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.155 0.073 2.709 1.00 0.00 C ATOM 0 H LEU A 25 -1.461 3.963 2.899 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.692 1.800 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.576 3.026 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.137 1.537 2.856 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.736 1.997 1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.127 0.528 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.147 2.014 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.556 0.481 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.931 -0.468 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.257 -0.542 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.506 0.298 3.716 1.00 0.00 H new ATOM 245 N LYS A 26 1.243 4.457 4.619 1.00 0.00 N ATOM 246 CA LYS A 26 2.383 5.085 5.350 1.00 0.00 C ATOM 247 C LYS A 26 2.100 5.123 6.856 1.00 0.00 C ATOM 248 O LYS A 26 2.945 4.803 7.668 1.00 0.00 O ATOM 249 CB LYS A 26 2.578 6.516 4.838 1.00 0.00 C ATOM 250 CG LYS A 26 3.965 7.028 5.241 1.00 0.00 C ATOM 251 CD LYS A 26 4.207 8.407 4.618 1.00 0.00 C ATOM 252 CE LYS A 26 5.591 8.917 5.029 1.00 0.00 C ATOM 253 NZ LYS A 26 5.836 10.247 4.403 1.00 0.00 N ATOM 0 H LYS A 26 0.789 5.055 3.928 1.00 0.00 H new ATOM 0 HA LYS A 26 3.283 4.495 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.472 6.541 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.807 7.167 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.039 7.091 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.732 6.328 4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.139 8.344 3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.438 9.106 4.946 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.653 8.997 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.359 8.209 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.776 10.594 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.793 10.157 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.110 10.920 4.722 1.00 0.00 H new ATOM 267 N HIS A 27 0.923 5.524 7.232 1.00 0.00 N ATOM 268 CA HIS A 27 0.583 5.594 8.685 1.00 0.00 C ATOM 269 C HIS A 27 0.476 4.185 9.276 1.00 0.00 C ATOM 270 O HIS A 27 0.876 3.935 10.397 1.00 0.00 O ATOM 271 CB HIS A 27 -0.754 6.318 8.853 1.00 0.00 C ATOM 272 CG HIS A 27 -0.568 7.785 8.581 1.00 0.00 C ATOM 273 ND1 HIS A 27 0.512 8.493 9.079 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.314 8.690 7.867 1.00 0.00 C ATOM 275 CE1 HIS A 27 0.390 9.767 8.662 1.00 0.00 C ATOM 276 NE2 HIS A 27 -0.708 9.942 7.919 1.00 0.00 N ATOM 0 H HIS A 27 0.176 5.808 6.598 1.00 0.00 H new ATOM 0 HA HIS A 27 1.370 6.136 9.209 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.494 5.901 8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.135 6.170 9.863 1.00 0.00 H new ATOM 0 HD1 HIS A 27 1.264 8.118 9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.232 8.465 7.344 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.093 10.552 8.899 1.00 0.00 H new ATOM 284 N ASN A 28 -0.074 3.265 8.535 1.00 0.00 N ATOM 285 CA ASN A 28 -0.218 1.874 9.056 1.00 0.00 C ATOM 286 C ASN A 28 1.155 1.266 9.287 1.00 0.00 C ATOM 287 O ASN A 28 1.378 0.564 10.256 1.00 0.00 O ATOM 288 CB ASN A 28 -0.957 1.015 8.031 1.00 0.00 C ATOM 289 CG ASN A 28 -2.420 1.445 7.951 1.00 0.00 C ATOM 290 OD1 ASN A 28 -2.931 1.693 6.877 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.120 1.542 9.045 1.00 0.00 N ATOM 0 H ASN A 28 -0.431 3.414 7.591 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.775 1.907 9.992 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.486 1.114 7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.893 -0.037 8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.099 1.826 9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.690 1.333 9.946 1.00 0.00 H new ATOM 298 N ILE A 29 2.078 1.510 8.389 1.00 0.00 N ATOM 299 CA ILE A 29 3.447 0.928 8.539 1.00 0.00 C ATOM 300 C ILE A 29 4.481 2.059 8.733 1.00 0.00 C ATOM 301 O ILE A 29 4.639 2.902 7.874 1.00 0.00 O ATOM 302 CB ILE A 29 3.803 0.127 7.289 1.00 0.00 C ATOM 303 CG1 ILE A 29 2.698 -0.900 7.019 1.00 0.00 C ATOM 304 CG2 ILE A 29 5.126 -0.614 7.526 1.00 0.00 C ATOM 305 CD1 ILE A 29 2.851 -1.458 5.608 1.00 0.00 C ATOM 0 H ILE A 29 1.942 2.087 7.559 1.00 0.00 H new ATOM 0 HA ILE A 29 3.461 0.273 9.410 1.00 0.00 H new ATOM 0 HB ILE A 29 3.902 0.799 6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.753 -1.708 7.748 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.719 -0.434 7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.386 -1.188 6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.915 0.108 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.018 -1.289 8.375 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.064 -2.188 5.418 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.774 -0.646 4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.824 -1.940 5.511 1.00 0.00 H new ATOM 317 N PRO A 30 5.180 2.085 9.845 1.00 0.00 N ATOM 318 CA PRO A 30 6.203 3.140 10.130 1.00 0.00 C ATOM 319 C PRO A 30 7.452 2.963 9.260 1.00 0.00 C ATOM 320 O PRO A 30 8.239 3.871 9.076 1.00 0.00 O ATOM 321 CB PRO A 30 6.532 2.934 11.618 1.00 0.00 C ATOM 322 CG PRO A 30 6.217 1.498 11.895 1.00 0.00 C ATOM 323 CD PRO A 30 5.089 1.110 10.946 1.00 0.00 C ATOM 0 HA PRO A 30 5.839 4.144 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.580 3.154 11.824 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.938 3.596 12.248 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.093 0.871 11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.915 1.361 12.933 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.209 0.089 10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.119 1.160 11.441 1.00 0.00 H new ATOM 331 N ASP A 31 7.636 1.788 8.727 1.00 0.00 N ATOM 332 CA ASP A 31 8.824 1.519 7.866 1.00 0.00 C ATOM 333 C ASP A 31 8.426 1.703 6.399 1.00 0.00 C ATOM 334 O ASP A 31 9.171 1.388 5.493 1.00 0.00 O ATOM 335 CB ASP A 31 9.291 0.076 8.100 1.00 0.00 C ATOM 336 CG ASP A 31 9.840 -0.061 9.524 1.00 0.00 C ATOM 337 OD1 ASP A 31 10.108 0.960 10.135 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.983 -1.186 9.977 1.00 0.00 O ATOM 0 H ASP A 31 7.008 0.994 8.852 1.00 0.00 H new ATOM 0 HA ASP A 31 9.633 2.207 8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.461 -0.614 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.061 -0.190 7.375 1.00 0.00 H new ATOM 343 N PHE A 32 7.244 2.206 6.163 1.00 0.00 N ATOM 344 CA PHE A 32 6.778 2.398 4.761 1.00 0.00 C ATOM 345 C PHE A 32 7.851 3.119 3.947 1.00 0.00 C ATOM 346 O PHE A 32 8.257 4.221 4.255 1.00 0.00 O ATOM 347 CB PHE A 32 5.499 3.236 4.767 1.00 0.00 C ATOM 348 CG PHE A 32 5.051 3.496 3.348 1.00 0.00 C ATOM 349 CD1 PHE A 32 4.187 2.597 2.715 1.00 0.00 C ATOM 350 CD2 PHE A 32 5.503 4.632 2.664 1.00 0.00 C ATOM 351 CE1 PHE A 32 3.773 2.831 1.400 1.00 0.00 C ATOM 352 CE2 PHE A 32 5.089 4.866 1.347 1.00 0.00 C ATOM 353 CZ PHE A 32 4.224 3.965 0.715 1.00 0.00 C ATOM 0 H PHE A 32 6.580 2.492 6.883 1.00 0.00 H new ATOM 0 HA PHE A 32 6.583 1.425 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.715 2.715 5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.675 4.181 5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.839 1.721 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.170 5.327 3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.105 2.136 0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.437 5.741 0.819 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.905 4.145 -0.301 1.00 0.00 H new ATOM 363 N ASN A 33 8.306 2.491 2.900 1.00 0.00 N ATOM 364 CA ASN A 33 9.354 3.104 2.033 1.00 0.00 C ATOM 365 C ASN A 33 8.706 3.660 0.764 1.00 0.00 C ATOM 366 O ASN A 33 8.643 4.854 0.550 1.00 0.00 O ATOM 367 CB ASN A 33 10.358 2.022 1.638 1.00 0.00 C ATOM 368 CG ASN A 33 11.169 1.601 2.863 1.00 0.00 C ATOM 369 OD1 ASN A 33 10.939 0.549 3.428 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.119 2.380 3.295 1.00 0.00 N ATOM 0 H ASN A 33 7.993 1.567 2.603 1.00 0.00 H new ATOM 0 HA ASN A 33 9.853 3.908 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.835 1.161 1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.024 2.396 0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.671 2.108 4.108 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.311 3.262 2.820 1.00 0.00 H new ATOM 377 N THR A 34 8.225 2.794 -0.087 1.00 0.00 N ATOM 378 CA THR A 34 7.585 3.260 -1.354 1.00 0.00 C ATOM 379 C THR A 34 6.474 2.291 -1.757 1.00 0.00 C ATOM 380 O THR A 34 6.394 1.184 -1.265 1.00 0.00 O ATOM 381 CB THR A 34 8.635 3.325 -2.466 1.00 0.00 C ATOM 382 OG1 THR A 34 7.993 3.583 -3.707 1.00 0.00 O ATOM 383 CG2 THR A 34 9.393 1.999 -2.544 1.00 0.00 C ATOM 0 H THR A 34 8.247 1.782 0.040 1.00 0.00 H new ATOM 0 HA THR A 34 7.160 4.252 -1.198 1.00 0.00 H new ATOM 0 HB THR A 34 9.342 4.126 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.664 3.627 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.139 2.052 -3.337 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.889 1.807 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.693 1.192 -2.758 1.00 0.00 H new ATOM 391 N VAL A 35 5.610 2.710 -2.646 1.00 0.00 N ATOM 392 CA VAL A 35 4.485 1.828 -3.090 1.00 0.00 C ATOM 393 C VAL A 35 4.387 1.855 -4.617 1.00 0.00 C ATOM 394 O VAL A 35 4.485 2.894 -5.239 1.00 0.00 O ATOM 395 CB VAL A 35 3.172 2.333 -2.486 1.00 0.00 C ATOM 396 CG1 VAL A 35 2.981 3.826 -2.792 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.004 1.539 -3.072 1.00 0.00 C ATOM 0 H VAL A 35 5.634 3.630 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 35 4.670 0.807 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 35 3.206 2.197 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.043 4.170 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.809 4.393 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.956 3.976 -3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.068 1.898 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.981 1.671 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.129 0.482 -2.838 1.00 0.00 H new ATOM 407 N THR A 36 4.187 0.710 -5.221 1.00 0.00 N ATOM 408 CA THR A 36 4.070 0.640 -6.712 1.00 0.00 C ATOM 409 C THR A 36 2.756 -0.048 -7.086 1.00 0.00 C ATOM 410 O THR A 36 2.480 -1.160 -6.681 1.00 0.00 O ATOM 411 CB THR A 36 5.250 -0.153 -7.274 1.00 0.00 C ATOM 412 OG1 THR A 36 6.460 0.514 -6.941 1.00 0.00 O ATOM 413 CG2 THR A 36 5.121 -0.246 -8.793 1.00 0.00 C ATOM 0 H THR A 36 4.099 -0.186 -4.742 1.00 0.00 H new ATOM 0 HA THR A 36 4.080 1.646 -7.131 1.00 0.00 H new ATOM 0 HB THR A 36 5.255 -1.157 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.221 0.009 -7.297 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.962 -0.811 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.189 -0.750 -9.049 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.120 0.757 -9.220 1.00 0.00 H new ATOM 421 N PHE A 37 1.944 0.621 -7.859 1.00 0.00 N ATOM 422 CA PHE A 37 0.636 0.039 -8.277 1.00 0.00 C ATOM 423 C PHE A 37 0.823 -0.772 -9.560 1.00 0.00 C ATOM 424 O PHE A 37 1.441 -0.325 -10.507 1.00 0.00 O ATOM 425 CB PHE A 37 -0.358 1.176 -8.523 1.00 0.00 C ATOM 426 CG PHE A 37 -0.485 2.008 -7.267 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.264 1.546 -6.199 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.176 3.240 -7.167 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.382 2.312 -5.033 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.057 4.007 -6.001 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.723 3.543 -4.934 1.00 0.00 C ATOM 0 H PHE A 37 2.133 1.555 -8.222 1.00 0.00 H new ATOM 0 HA PHE A 37 0.256 -0.617 -7.494 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.020 1.797 -9.352 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.330 0.771 -8.804 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.775 0.597 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.777 3.598 -7.989 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.982 1.953 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.567 4.956 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.816 4.135 -4.035 1.00 0.00 H new ATOM 441 N THR A 38 0.296 -1.967 -9.592 1.00 0.00 N ATOM 442 CA THR A 38 0.430 -2.835 -10.800 1.00 0.00 C ATOM 443 C THR A 38 -0.911 -2.913 -11.532 1.00 0.00 C ATOM 444 O THR A 38 -1.000 -2.647 -12.714 1.00 0.00 O ATOM 445 CB THR A 38 0.839 -4.241 -10.353 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.169 -4.773 -9.504 1.00 0.00 O ATOM 447 CG2 THR A 38 2.163 -4.171 -9.594 1.00 0.00 C ATOM 0 H THR A 38 -0.228 -2.384 -8.823 1.00 0.00 H new ATOM 0 HA THR A 38 1.182 -2.417 -11.469 1.00 0.00 H new ATOM 0 HB THR A 38 0.958 -4.883 -11.226 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.088 -5.674 -9.216 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.454 -5.172 -9.276 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.934 -3.759 -10.245 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.047 -3.532 -8.719 1.00 0.00 H new ATOM 455 N ASN A 39 -1.960 -3.284 -10.842 1.00 0.00 N ATOM 456 CA ASN A 39 -3.300 -3.395 -11.509 1.00 0.00 C ATOM 457 C ASN A 39 -4.153 -2.164 -11.201 1.00 0.00 C ATOM 458 O ASN A 39 -4.137 -1.634 -10.110 1.00 0.00 O ATOM 459 CB ASN A 39 -4.022 -4.643 -10.999 1.00 0.00 C ATOM 460 CG ASN A 39 -3.185 -5.884 -11.318 1.00 0.00 C ATOM 461 OD1 ASN A 39 -2.814 -6.106 -12.454 1.00 0.00 O ATOM 462 ND2 ASN A 39 -2.865 -6.706 -10.358 1.00 0.00 N ATOM 0 H ASN A 39 -1.950 -3.515 -9.849 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.149 -3.464 -12.586 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.185 -4.568 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.004 -4.724 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.304 -7.534 -10.561 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.175 -6.522 -9.404 1.00 0.00 H new ATOM 469 N GLU A 40 -4.908 -1.717 -12.165 1.00 0.00 N ATOM 470 CA GLU A 40 -5.785 -0.531 -11.955 1.00 0.00 C ATOM 471 C GLU A 40 -6.849 -0.495 -13.053 1.00 0.00 C ATOM 472 O GLU A 40 -6.572 -0.183 -14.196 1.00 0.00 O ATOM 473 CB GLU A 40 -4.947 0.750 -11.990 1.00 0.00 C ATOM 474 CG GLU A 40 -5.862 1.967 -11.826 1.00 0.00 C ATOM 475 CD GLU A 40 -5.017 3.237 -11.740 1.00 0.00 C ATOM 476 OE1 GLU A 40 -3.824 3.118 -11.513 1.00 0.00 O ATOM 477 OE2 GLU A 40 -5.578 4.307 -11.899 1.00 0.00 O ATOM 0 H GLU A 40 -4.956 -2.126 -13.098 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.271 -0.602 -10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.203 0.732 -11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.403 0.815 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.551 2.033 -12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.468 1.860 -10.926 1.00 0.00 H new ATOM 484 N GLU A 41 -8.067 -0.813 -12.710 1.00 0.00 N ATOM 485 CA GLU A 41 -9.162 -0.799 -13.732 1.00 0.00 C ATOM 486 C GLU A 41 -10.521 -0.962 -13.047 1.00 0.00 C ATOM 487 O GLU A 41 -10.614 -1.122 -11.847 1.00 0.00 O ATOM 488 CB GLU A 41 -8.962 -1.942 -14.737 1.00 0.00 C ATOM 489 CG GLU A 41 -8.991 -3.285 -14.005 1.00 0.00 C ATOM 490 CD GLU A 41 -8.736 -4.414 -15.004 1.00 0.00 C ATOM 491 OE1 GLU A 41 -8.714 -4.134 -16.191 1.00 0.00 O ATOM 492 OE2 GLU A 41 -8.578 -5.541 -14.566 1.00 0.00 O ATOM 0 H GLU A 41 -8.355 -1.082 -11.769 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.133 0.155 -14.259 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.745 -1.913 -15.495 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.011 -1.820 -15.256 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.234 -3.301 -13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.956 -3.426 -13.519 1.00 0.00 H new ATOM 499 N PHE A 42 -11.576 -0.923 -13.814 1.00 0.00 N ATOM 500 CA PHE A 42 -12.943 -1.072 -13.236 1.00 0.00 C ATOM 501 C PHE A 42 -13.098 -2.437 -12.566 1.00 0.00 C ATOM 502 O PHE A 42 -12.187 -3.241 -12.524 1.00 0.00 O ATOM 503 CB PHE A 42 -13.985 -0.953 -14.349 1.00 0.00 C ATOM 504 CG PHE A 42 -14.029 0.468 -14.856 1.00 0.00 C ATOM 505 CD1 PHE A 42 -14.802 1.423 -14.185 1.00 0.00 C ATOM 506 CD2 PHE A 42 -13.301 0.832 -15.996 1.00 0.00 C ATOM 507 CE1 PHE A 42 -14.849 2.741 -14.653 1.00 0.00 C ATOM 508 CE2 PHE A 42 -13.347 2.151 -16.464 1.00 0.00 C ATOM 509 CZ PHE A 42 -14.121 3.106 -15.792 1.00 0.00 C ATOM 0 H PHE A 42 -11.550 -0.793 -14.825 1.00 0.00 H new ATOM 0 HA PHE A 42 -13.090 -0.287 -12.494 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.739 -1.633 -15.165 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.966 -1.246 -13.975 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.362 1.142 -13.306 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.704 0.096 -16.514 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.447 3.477 -14.136 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.786 2.432 -17.343 1.00 0.00 H new ATOM 0 HZ PHE A 42 -14.156 4.123 -16.152 1.00 0.00 H new ATOM 519 N ASN A 43 -14.263 -2.702 -12.050 1.00 0.00 N ATOM 520 CA ASN A 43 -14.513 -4.013 -11.389 1.00 0.00 C ATOM 521 C ASN A 43 -15.993 -4.089 -10.980 1.00 0.00 C ATOM 522 O ASN A 43 -16.691 -3.096 -10.982 1.00 0.00 O ATOM 523 CB ASN A 43 -13.605 -4.150 -10.138 1.00 0.00 C ATOM 524 CG ASN A 43 -12.634 -5.323 -10.312 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.390 -6.069 -9.384 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.077 -5.516 -11.473 1.00 0.00 N ATOM 0 H ASN A 43 -15.059 -2.064 -12.057 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.283 -4.826 -12.077 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.047 -3.227 -9.982 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.218 -4.305 -9.250 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.433 -6.296 -11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.285 -4.887 -12.249 1.00 0.00 H new ATOM 533 N PRO A 44 -16.460 -5.255 -10.608 1.00 0.00 N ATOM 534 CA PRO A 44 -17.875 -5.444 -10.164 1.00 0.00 C ATOM 535 C PRO A 44 -18.250 -4.463 -9.048 1.00 0.00 C ATOM 536 O PRO A 44 -19.337 -3.923 -9.007 1.00 0.00 O ATOM 537 CB PRO A 44 -17.901 -6.886 -9.627 1.00 0.00 C ATOM 538 CG PRO A 44 -16.762 -7.584 -10.299 1.00 0.00 C ATOM 539 CD PRO A 44 -15.698 -6.518 -10.569 1.00 0.00 C ATOM 0 HA PRO A 44 -18.585 -5.267 -10.972 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.787 -6.903 -8.543 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -18.849 -7.373 -9.856 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.365 -8.377 -9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.087 -8.052 -11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.940 -6.503 -9.786 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.180 -6.701 -11.510 1.00 0.00 H new ATOM 547 N ILE A 45 -17.346 -4.247 -8.131 1.00 0.00 N ATOM 548 CA ILE A 45 -17.626 -3.321 -6.998 1.00 0.00 C ATOM 549 C ILE A 45 -17.251 -1.896 -7.401 1.00 0.00 C ATOM 550 O ILE A 45 -17.469 -0.952 -6.667 1.00 0.00 O ATOM 551 CB ILE A 45 -16.800 -3.763 -5.782 1.00 0.00 C ATOM 552 CG1 ILE A 45 -17.245 -2.980 -4.543 1.00 0.00 C ATOM 553 CG2 ILE A 45 -15.310 -3.504 -6.040 1.00 0.00 C ATOM 554 CD1 ILE A 45 -16.694 -3.654 -3.285 1.00 0.00 C ATOM 0 H ILE A 45 -16.420 -4.675 -8.119 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.686 -3.346 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 45 -16.957 -4.829 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -16.888 -1.952 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -18.333 -2.938 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.730 -3.820 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -14.989 -4.068 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -15.151 -2.440 -6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -17.011 -3.096 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -17.072 -4.674 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -15.605 -3.673 -3.330 1.00 0.00 H new ATOM 566 N GLY A 46 -16.696 -1.730 -8.572 1.00 0.00 N ATOM 567 CA GLY A 46 -16.309 -0.363 -9.044 1.00 0.00 C ATOM 568 C GLY A 46 -14.905 -0.405 -9.642 1.00 0.00 C ATOM 569 O GLY A 46 -14.722 -0.694 -10.807 1.00 0.00 O ATOM 0 H GLY A 46 -16.492 -2.485 -9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.022 -0.009 -9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.340 0.342 -8.213 1.00 0.00 H new ATOM 573 N ILE A 47 -13.913 -0.103 -8.847 1.00 0.00 N ATOM 574 CA ILE A 47 -12.501 -0.105 -9.341 1.00 0.00 C ATOM 575 C ILE A 47 -11.634 -0.975 -8.440 1.00 0.00 C ATOM 576 O ILE A 47 -11.870 -1.098 -7.256 1.00 0.00 O ATOM 577 CB ILE A 47 -11.972 1.332 -9.350 1.00 0.00 C ATOM 578 CG1 ILE A 47 -12.101 1.948 -7.948 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.784 2.156 -10.350 1.00 0.00 C ATOM 580 CD1 ILE A 47 -11.382 3.300 -7.908 1.00 0.00 C ATOM 0 H ILE A 47 -14.021 0.148 -7.864 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.469 -0.512 -10.352 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.921 1.331 -9.639 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.153 2.077 -7.693 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.673 1.276 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.414 3.181 -10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.684 1.722 -11.345 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.834 2.153 -10.056 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.476 3.733 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.327 3.158 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.830 3.972 -8.640 1.00 0.00 H new ATOM 592 N SER A 48 -10.620 -1.580 -9.004 1.00 0.00 N ATOM 593 CA SER A 48 -9.712 -2.452 -8.204 1.00 0.00 C ATOM 594 C SER A 48 -8.272 -2.004 -8.425 1.00 0.00 C ATOM 595 O SER A 48 -7.824 -1.816 -9.545 1.00 0.00 O ATOM 596 CB SER A 48 -9.866 -3.901 -8.658 1.00 0.00 C ATOM 597 OG SER A 48 -9.111 -4.744 -7.799 1.00 0.00 O ATOM 0 H SER A 48 -10.381 -1.506 -9.993 1.00 0.00 H new ATOM 0 HA SER A 48 -9.966 -2.375 -7.147 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.917 -4.190 -8.639 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.524 -4.010 -9.687 1.00 0.00 H new ATOM 0 HG SER A 48 -9.209 -5.676 -8.086 1.00 0.00 H new ATOM 603 N ILE A 49 -7.548 -1.828 -7.351 1.00 0.00 N ATOM 604 CA ILE A 49 -6.124 -1.389 -7.442 1.00 0.00 C ATOM 605 C ILE A 49 -5.252 -2.344 -6.633 1.00 0.00 C ATOM 606 O ILE A 49 -5.557 -2.673 -5.503 1.00 0.00 O ATOM 607 CB ILE A 49 -5.994 0.026 -6.889 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.782 0.977 -7.790 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.520 0.434 -6.875 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.898 2.348 -7.125 1.00 0.00 C ATOM 0 H ILE A 49 -7.888 -1.972 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.800 -1.398 -8.483 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.385 0.068 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.285 1.072 -8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.775 0.571 -7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.426 1.445 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.958 -0.255 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.124 0.403 -7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.461 3.020 -7.773 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.415 2.247 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.901 2.756 -6.957 1.00 0.00 H new ATOM 622 N ASP A 50 -4.172 -2.800 -7.211 1.00 0.00 N ATOM 623 CA ASP A 50 -3.271 -3.751 -6.490 1.00 0.00 C ATOM 624 C ASP A 50 -1.818 -3.335 -6.686 1.00 0.00 C ATOM 625 O ASP A 50 -1.437 -2.826 -7.724 1.00 0.00 O ATOM 626 CB ASP A 50 -3.470 -5.163 -7.043 1.00 0.00 C ATOM 627 CG ASP A 50 -2.818 -6.177 -6.100 1.00 0.00 C ATOM 628 OD1 ASP A 50 -1.916 -5.786 -5.376 1.00 0.00 O ATOM 629 OD2 ASP A 50 -3.233 -7.324 -6.115 1.00 0.00 O ATOM 0 H ASP A 50 -3.873 -2.555 -8.155 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.512 -3.735 -5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.534 -5.378 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.031 -5.241 -8.038 1.00 0.00 H new ATOM 634 N GLY A 51 -1.003 -3.550 -5.691 1.00 0.00 N ATOM 635 CA GLY A 51 0.434 -3.165 -5.803 1.00 0.00 C ATOM 636 C GLY A 51 1.224 -3.784 -4.651 1.00 0.00 C ATOM 637 O GLY A 51 0.762 -4.683 -3.978 1.00 0.00 O ATOM 0 H GLY A 51 -1.269 -3.976 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.838 -3.504 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.532 -2.080 -5.782 1.00 0.00 H new ATOM 641 N TYR A 52 2.421 -3.308 -4.426 1.00 0.00 N ATOM 642 CA TYR A 52 3.266 -3.860 -3.321 1.00 0.00 C ATOM 643 C TYR A 52 4.087 -2.743 -2.683 1.00 0.00 C ATOM 644 O TYR A 52 4.258 -1.682 -3.251 1.00 0.00 O ATOM 645 CB TYR A 52 4.204 -4.937 -3.875 1.00 0.00 C ATOM 646 CG TYR A 52 4.931 -4.418 -5.097 1.00 0.00 C ATOM 647 CD1 TYR A 52 6.139 -3.721 -4.957 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.402 -4.649 -6.373 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.813 -3.256 -6.095 1.00 0.00 C ATOM 650 CE2 TYR A 52 5.078 -4.185 -7.508 1.00 0.00 C ATOM 651 CZ TYR A 52 6.284 -3.489 -7.369 1.00 0.00 C ATOM 652 OH TYR A 52 6.952 -3.033 -8.487 1.00 0.00 O ATOM 0 H TYR A 52 2.854 -2.556 -4.963 1.00 0.00 H new ATOM 0 HA TYR A 52 2.617 -4.301 -2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.924 -5.230 -3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.633 -5.829 -4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.550 -3.542 -3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.471 -5.186 -6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.743 -2.717 -5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.668 -4.364 -8.491 1.00 0.00 H new ATOM 0 HH TYR A 52 6.450 -3.280 -9.291 1.00 0.00 H new ATOM 662 N ILE A 53 4.582 -2.976 -1.489 1.00 0.00 N ATOM 663 CA ILE A 53 5.386 -1.926 -0.775 1.00 0.00 C ATOM 664 C ILE A 53 6.795 -2.430 -0.449 1.00 0.00 C ATOM 665 O ILE A 53 7.062 -3.614 -0.402 1.00 0.00 O ATOM 666 CB ILE A 53 4.680 -1.547 0.531 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.477 -2.797 1.402 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.325 -0.917 0.215 1.00 0.00 C ATOM 669 CD1 ILE A 53 3.940 -2.382 2.773 1.00 0.00 C ATOM 0 H ILE A 53 4.464 -3.850 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 53 5.470 -1.059 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 53 5.297 -0.831 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.780 -3.481 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.420 -3.331 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.823 -0.648 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.472 -0.023 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.711 -1.631 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.796 -3.268 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.653 -1.715 3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.987 -1.867 2.650 1.00 0.00 H new ATOM 681 N ASN A 54 7.690 -1.509 -0.217 1.00 0.00 N ATOM 682 CA ASN A 54 9.101 -1.862 0.120 1.00 0.00 C ATOM 683 C ASN A 54 9.704 -2.720 -0.995 1.00 0.00 C ATOM 684 O ASN A 54 10.536 -3.577 -0.766 1.00 0.00 O ATOM 685 CB ASN A 54 9.141 -2.614 1.457 1.00 0.00 C ATOM 686 CG ASN A 54 8.351 -1.822 2.505 1.00 0.00 C ATOM 687 OD1 ASN A 54 7.330 -1.237 2.200 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.788 -1.772 3.733 1.00 0.00 N ATOM 0 H ASN A 54 7.500 -0.507 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 54 9.690 -0.949 0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.715 -3.611 1.340 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.173 -2.744 1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.273 -1.242 4.436 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.645 -2.263 3.990 1.00 0.00 H new ATOM 695 N ASN A 55 9.293 -2.478 -2.210 1.00 0.00 N ATOM 696 CA ASN A 55 9.835 -3.253 -3.363 1.00 0.00 C ATOM 697 C ASN A 55 9.768 -4.747 -3.051 1.00 0.00 C ATOM 698 O ASN A 55 10.585 -5.525 -3.505 1.00 0.00 O ATOM 699 CB ASN A 55 11.289 -2.847 -3.625 1.00 0.00 C ATOM 700 CG ASN A 55 11.325 -1.432 -4.208 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.472 -1.062 -4.992 1.00 0.00 O ATOM 702 ND2 ASN A 55 12.280 -0.618 -3.853 1.00 0.00 N ATOM 0 H ASN A 55 8.600 -1.771 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 55 9.239 -3.040 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.861 -2.885 -2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.755 -3.549 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.311 0.328 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.996 -0.927 -3.196 1.00 0.00 H new ATOM 709 N ASP A 56 8.797 -5.154 -2.278 1.00 0.00 N ATOM 710 CA ASP A 56 8.653 -6.600 -1.920 1.00 0.00 C ATOM 711 C ASP A 56 7.384 -7.162 -2.563 1.00 0.00 C ATOM 712 O ASP A 56 6.279 -6.859 -2.162 1.00 0.00 O ATOM 713 CB ASP A 56 8.578 -6.739 -0.401 1.00 0.00 C ATOM 714 CG ASP A 56 8.671 -8.216 -0.021 1.00 0.00 C ATOM 715 OD1 ASP A 56 8.618 -9.042 -0.918 1.00 0.00 O ATOM 716 OD2 ASP A 56 8.790 -8.499 1.159 1.00 0.00 O ATOM 0 H ASP A 56 8.089 -4.541 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 56 9.514 -7.158 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.389 -6.180 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.644 -6.315 -0.032 1.00 0.00 H new ATOM 721 N LYS A 57 7.549 -7.981 -3.561 1.00 0.00 N ATOM 722 CA LYS A 57 6.379 -8.584 -4.263 1.00 0.00 C ATOM 723 C LYS A 57 5.548 -9.393 -3.268 1.00 0.00 C ATOM 724 O LYS A 57 4.344 -9.504 -3.387 1.00 0.00 O ATOM 725 CB LYS A 57 6.895 -9.509 -5.365 1.00 0.00 C ATOM 726 CG LYS A 57 7.752 -8.716 -6.361 1.00 0.00 C ATOM 727 CD LYS A 57 6.881 -7.714 -7.134 1.00 0.00 C ATOM 728 CE LYS A 57 7.600 -7.276 -8.408 1.00 0.00 C ATOM 729 NZ LYS A 57 8.841 -6.538 -8.044 1.00 0.00 N ATOM 0 H LYS A 57 8.458 -8.264 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 57 5.758 -7.799 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.484 -10.315 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.056 -9.973 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.543 -8.187 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.238 -9.399 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.923 -8.169 -7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.668 -6.846 -6.510 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.846 -8.145 -9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.948 -6.641 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.234 -6.080 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.618 -5.815 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.539 -7.204 -7.655 1.00 0.00 H new ATOM 743 N ASN A 58 6.182 -9.961 -2.285 1.00 0.00 N ATOM 744 CA ASN A 58 5.431 -10.761 -1.277 1.00 0.00 C ATOM 745 C ASN A 58 4.445 -9.844 -0.538 1.00 0.00 C ATOM 746 O ASN A 58 3.332 -10.221 -0.228 1.00 0.00 O ATOM 747 CB ASN A 58 6.416 -11.354 -0.266 1.00 0.00 C ATOM 748 CG ASN A 58 7.443 -12.229 -0.986 1.00 0.00 C ATOM 749 OD1 ASN A 58 7.114 -12.924 -1.927 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.685 -12.230 -0.578 1.00 0.00 N ATOM 0 H ASN A 58 7.189 -9.907 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 58 4.888 -11.563 -1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.923 -10.553 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.878 -11.946 0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.376 -12.814 -1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.963 -11.647 0.212 1.00 0.00 H new ATOM 757 N LEU A 59 4.857 -8.641 -0.247 1.00 0.00 N ATOM 758 CA LEU A 59 3.967 -7.686 0.483 1.00 0.00 C ATOM 759 C LEU A 59 3.024 -7.000 -0.508 1.00 0.00 C ATOM 760 O LEU A 59 3.224 -5.859 -0.893 1.00 0.00 O ATOM 761 CB LEU A 59 4.834 -6.633 1.178 1.00 0.00 C ATOM 762 CG LEU A 59 5.845 -7.327 2.102 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.732 -6.274 2.781 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.099 -8.148 3.171 1.00 0.00 C ATOM 0 H LEU A 59 5.778 -8.273 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 59 3.376 -8.226 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.358 -6.031 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.206 -5.953 1.754 1.00 0.00 H new ATOM 0 HG LEU A 59 6.470 -7.996 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.448 -6.770 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.268 -5.705 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.110 -5.599 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.822 -8.638 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.467 -7.486 3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.480 -8.902 2.684 1.00 0.00 H new ATOM 776 N SER A 60 1.995 -7.698 -0.928 1.00 0.00 N ATOM 777 CA SER A 60 1.022 -7.115 -1.907 1.00 0.00 C ATOM 778 C SER A 60 -0.273 -6.710 -1.202 1.00 0.00 C ATOM 779 O SER A 60 -0.567 -7.142 -0.105 1.00 0.00 O ATOM 780 CB SER A 60 0.704 -8.148 -2.986 1.00 0.00 C ATOM 781 OG SER A 60 0.007 -9.239 -2.402 1.00 0.00 O ATOM 0 H SER A 60 1.786 -8.652 -0.633 1.00 0.00 H new ATOM 0 HA SER A 60 1.471 -6.230 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.100 -7.695 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.625 -8.498 -3.453 1.00 0.00 H new ATOM 0 HG SER A 60 -0.200 -9.903 -3.093 1.00 0.00 H new ATOM 787 N PHE A 61 -1.049 -5.870 -1.837 1.00 0.00 N ATOM 788 CA PHE A 61 -2.334 -5.413 -1.230 1.00 0.00 C ATOM 789 C PHE A 61 -3.347 -5.108 -2.336 1.00 0.00 C ATOM 790 O PHE A 61 -2.982 -4.825 -3.461 1.00 0.00 O ATOM 791 CB PHE A 61 -2.091 -4.145 -0.415 1.00 0.00 C ATOM 792 CG PHE A 61 -1.579 -3.041 -1.316 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.480 -2.257 -2.050 1.00 0.00 C ATOM 794 CD2 PHE A 61 -0.203 -2.798 -1.413 1.00 0.00 C ATOM 795 CE1 PHE A 61 -2.004 -1.231 -2.877 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.272 -1.770 -2.239 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.628 -0.987 -2.971 1.00 0.00 C ATOM 0 H PHE A 61 -0.846 -5.479 -2.757 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.723 -6.199 -0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.016 -3.831 0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.369 -4.344 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.541 -2.444 -1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.493 -3.403 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.699 -0.628 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.333 -1.582 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.262 -0.195 -3.608 1.00 0.00 H new ATOM 807 N THR A 62 -4.621 -5.165 -2.018 1.00 0.00 N ATOM 808 CA THR A 62 -5.678 -4.880 -3.043 1.00 0.00 C ATOM 809 C THR A 62 -6.778 -4.007 -2.429 1.00 0.00 C ATOM 810 O THR A 62 -7.177 -4.194 -1.295 1.00 0.00 O ATOM 811 CB THR A 62 -6.291 -6.194 -3.528 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.264 -7.021 -4.059 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.329 -5.904 -4.616 1.00 0.00 C ATOM 0 H THR A 62 -4.975 -5.397 -1.090 1.00 0.00 H new ATOM 0 HA THR A 62 -5.225 -4.354 -3.883 1.00 0.00 H new ATOM 0 HB THR A 62 -6.776 -6.702 -2.694 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.652 -7.865 -4.370 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.766 -6.841 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.114 -5.266 -4.209 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.847 -5.398 -5.453 1.00 0.00 H new ATOM 821 N ALA A 63 -7.275 -3.055 -3.178 1.00 0.00 N ATOM 822 CA ALA A 63 -8.356 -2.151 -2.662 1.00 0.00 C ATOM 823 C ALA A 63 -9.552 -2.193 -3.616 1.00 0.00 C ATOM 824 O ALA A 63 -9.408 -2.416 -4.803 1.00 0.00 O ATOM 825 CB ALA A 63 -7.822 -0.718 -2.580 1.00 0.00 C ATOM 0 H ALA A 63 -6.977 -2.861 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.668 -2.483 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.605 -0.059 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.967 -0.686 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.513 -0.388 -3.572 1.00 0.00 H new ATOM 831 N GLY A 64 -10.737 -1.989 -3.092 1.00 0.00 N ATOM 832 CA GLY A 64 -11.975 -2.024 -3.944 1.00 0.00 C ATOM 833 C GLY A 64 -12.787 -0.742 -3.750 1.00 0.00 C ATOM 834 O GLY A 64 -13.597 -0.634 -2.852 1.00 0.00 O ATOM 0 H GLY A 64 -10.904 -1.798 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.700 -2.134 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.582 -2.891 -3.681 1.00 0.00 H new ATOM 838 N LYS A 65 -12.576 0.216 -4.607 1.00 0.00 N ATOM 839 CA LYS A 65 -13.324 1.508 -4.528 1.00 0.00 C ATOM 840 C LYS A 65 -13.217 2.124 -3.128 1.00 0.00 C ATOM 841 O LYS A 65 -13.702 1.589 -2.152 1.00 0.00 O ATOM 842 CB LYS A 65 -14.795 1.279 -4.892 1.00 0.00 C ATOM 843 CG LYS A 65 -15.528 2.623 -4.941 1.00 0.00 C ATOM 844 CD LYS A 65 -16.976 2.404 -5.389 1.00 0.00 C ATOM 845 CE LYS A 65 -17.703 3.750 -5.451 1.00 0.00 C ATOM 846 NZ LYS A 65 -19.111 3.536 -5.893 1.00 0.00 N ATOM 0 H LYS A 65 -11.906 0.160 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.880 2.206 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.867 0.779 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.264 0.624 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.508 3.095 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.022 3.299 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.996 1.923 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -17.485 1.736 -4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.687 4.229 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.192 4.420 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -19.604 4.451 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -19.116 3.096 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -19.596 2.912 -5.217 1.00 0.00 H new ATOM 860 N ASP A 66 -12.585 3.267 -3.047 1.00 0.00 N ATOM 861 CA ASP A 66 -12.426 3.974 -1.742 1.00 0.00 C ATOM 862 C ASP A 66 -11.659 3.099 -0.745 1.00 0.00 C ATOM 863 O ASP A 66 -11.857 1.901 -0.657 1.00 0.00 O ATOM 864 CB ASP A 66 -13.809 4.343 -1.181 1.00 0.00 C ATOM 865 CG ASP A 66 -13.654 5.090 0.145 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.538 5.193 0.624 1.00 0.00 O ATOM 867 OD2 ASP A 66 -14.659 5.551 0.660 1.00 0.00 O ATOM 0 H ASP A 66 -12.166 3.747 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.852 4.887 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.347 4.964 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.403 3.441 -1.032 1.00 0.00 H new ATOM 872 N VAL A 67 -10.780 3.706 0.010 1.00 0.00 N ATOM 873 CA VAL A 67 -9.984 2.947 1.016 1.00 0.00 C ATOM 874 C VAL A 67 -10.936 2.258 2.003 1.00 0.00 C ATOM 875 O VAL A 67 -10.519 1.575 2.917 1.00 0.00 O ATOM 876 CB VAL A 67 -9.065 3.918 1.769 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.121 3.139 2.695 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.241 4.728 0.760 1.00 0.00 C ATOM 0 H VAL A 67 -10.579 4.705 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.378 2.191 0.516 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.675 4.593 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.473 3.837 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.707 2.569 3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.512 2.456 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.588 5.418 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.637 4.051 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.912 5.292 0.112 1.00 0.00 H new ATOM 888 N LYS A 68 -12.217 2.424 1.810 1.00 0.00 N ATOM 889 CA LYS A 68 -13.210 1.773 2.710 1.00 0.00 C ATOM 890 C LYS A 68 -12.949 0.269 2.724 1.00 0.00 C ATOM 891 O LYS A 68 -13.022 -0.377 3.750 1.00 0.00 O ATOM 892 CB LYS A 68 -14.618 2.035 2.165 1.00 0.00 C ATOM 893 CG LYS A 68 -15.665 1.435 3.106 1.00 0.00 C ATOM 894 CD LYS A 68 -17.070 1.730 2.569 1.00 0.00 C ATOM 895 CE LYS A 68 -18.112 1.137 3.520 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.973 1.768 4.861 1.00 0.00 N ATOM 0 H LYS A 68 -12.620 2.987 1.061 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.124 2.174 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.783 3.107 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.719 1.599 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.517 0.359 3.192 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.552 1.854 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.217 2.806 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.187 1.305 1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.115 1.306 3.129 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.977 0.058 3.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.865 1.668 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.207 1.301 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.750 2.777 4.748 1.00 0.00 H new ATOM 910 N ILE A 69 -12.636 -0.291 1.586 1.00 0.00 N ATOM 911 CA ILE A 69 -12.354 -1.760 1.509 1.00 0.00 C ATOM 912 C ILE A 69 -10.884 -1.968 1.157 1.00 0.00 C ATOM 913 O ILE A 69 -10.412 -1.548 0.117 1.00 0.00 O ATOM 914 CB ILE A 69 -13.236 -2.391 0.434 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.701 -2.265 0.857 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.871 -3.869 0.280 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.614 -2.679 -0.299 1.00 0.00 C ATOM 0 H ILE A 69 -12.562 0.207 0.699 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.569 -2.229 2.469 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.083 -1.882 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.893 -2.894 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.916 -1.238 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.500 -4.321 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.824 -3.957 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.029 -4.383 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.656 -2.587 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -15.431 -2.032 -1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.407 -3.713 -0.574 1.00 0.00 H new ATOM 929 N PHE A 70 -10.151 -2.616 2.026 1.00 0.00 N ATOM 930 CA PHE A 70 -8.701 -2.854 1.763 1.00 0.00 C ATOM 931 C PHE A 70 -8.336 -4.277 2.186 1.00 0.00 C ATOM 932 O PHE A 70 -8.573 -4.687 3.306 1.00 0.00 O ATOM 933 CB PHE A 70 -7.867 -1.848 2.567 1.00 0.00 C ATOM 934 CG PHE A 70 -6.486 -1.743 1.964 1.00 0.00 C ATOM 935 CD1 PHE A 70 -6.313 -1.075 0.747 1.00 0.00 C ATOM 936 CD2 PHE A 70 -5.384 -2.315 2.613 1.00 0.00 C ATOM 937 CE1 PHE A 70 -5.041 -0.977 0.178 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.111 -2.215 2.043 1.00 0.00 C ATOM 939 CZ PHE A 70 -3.940 -1.546 0.824 1.00 0.00 C ATOM 0 H PHE A 70 -10.496 -2.992 2.909 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.495 -2.728 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.352 -0.872 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.798 -2.166 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.163 -0.635 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.517 -2.832 3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.908 -0.461 -0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.260 -2.653 2.542 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.957 -1.470 0.383 1.00 0.00 H new ATOM 949 N SER A 71 -7.757 -5.030 1.290 1.00 0.00 N ATOM 950 CA SER A 71 -7.362 -6.438 1.607 1.00 0.00 C ATOM 951 C SER A 71 -5.841 -6.521 1.732 1.00 0.00 C ATOM 952 O SER A 71 -5.109 -5.776 1.110 1.00 0.00 O ATOM 953 CB SER A 71 -7.832 -7.353 0.478 1.00 0.00 C ATOM 954 OG SER A 71 -9.235 -7.545 0.590 1.00 0.00 O ATOM 0 H SER A 71 -7.537 -4.728 0.341 1.00 0.00 H new ATOM 0 HA SER A 71 -7.820 -6.749 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.589 -6.913 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.316 -8.312 0.531 1.00 0.00 H new ATOM 0 HG SER A 71 -9.544 -8.130 -0.133 1.00 0.00 H new ATOM 960 N SER A 72 -5.360 -7.428 2.536 1.00 0.00 N ATOM 961 CA SER A 72 -3.885 -7.566 2.711 1.00 0.00 C ATOM 962 C SER A 72 -3.535 -9.013 3.069 1.00 0.00 C ATOM 963 O SER A 72 -4.326 -9.740 3.640 1.00 0.00 O ATOM 964 CB SER A 72 -3.417 -6.633 3.828 1.00 0.00 C ATOM 965 OG SER A 72 -3.365 -5.302 3.331 1.00 0.00 O ATOM 0 H SER A 72 -5.924 -8.081 3.080 1.00 0.00 H new ATOM 0 HA SER A 72 -3.386 -7.300 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.098 -6.691 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.434 -6.939 4.187 1.00 0.00 H new ATOM 0 HG SER A 72 -3.799 -5.263 2.453 1.00 0.00 H new ATOM 971 N SER A 73 -2.350 -9.426 2.724 1.00 0.00 N ATOM 972 CA SER A 73 -1.910 -10.822 3.016 1.00 0.00 C ATOM 973 C SER A 73 -1.438 -10.953 4.466 1.00 0.00 C ATOM 974 O SER A 73 -1.319 -9.987 5.192 1.00 0.00 O ATOM 975 CB SER A 73 -0.763 -11.189 2.075 1.00 0.00 C ATOM 976 OG SER A 73 0.376 -10.397 2.392 1.00 0.00 O ATOM 0 H SER A 73 -1.657 -8.851 2.246 1.00 0.00 H new ATOM 0 HA SER A 73 -2.754 -11.495 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.523 -12.248 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.059 -11.023 1.039 1.00 0.00 H new ATOM 0 HG SER A 73 1.114 -10.631 1.792 1.00 0.00 H new ATOM 982 N GLU A 74 -1.170 -12.157 4.881 1.00 0.00 N ATOM 983 CA GLU A 74 -0.703 -12.400 6.277 1.00 0.00 C ATOM 984 C GLU A 74 0.592 -11.619 6.543 1.00 0.00 C ATOM 985 O GLU A 74 0.747 -10.984 7.567 1.00 0.00 O ATOM 986 CB GLU A 74 -0.427 -13.898 6.438 1.00 0.00 C ATOM 987 CG GLU A 74 -0.005 -14.197 7.876 1.00 0.00 C ATOM 988 CD GLU A 74 0.184 -15.706 8.059 1.00 0.00 C ATOM 989 OE1 GLU A 74 0.252 -16.402 7.058 1.00 0.00 O ATOM 990 OE2 GLU A 74 0.249 -16.139 9.196 1.00 0.00 O ATOM 0 H GLU A 74 -1.255 -12.996 4.307 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.466 -12.071 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.319 -14.470 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.357 -14.209 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.923 -13.674 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.761 -13.829 8.570 1.00 0.00 H new ATOM 997 N GLU A 75 1.523 -11.669 5.634 1.00 0.00 N ATOM 998 CA GLU A 75 2.812 -10.938 5.836 1.00 0.00 C ATOM 999 C GLU A 75 2.554 -9.432 5.954 1.00 0.00 C ATOM 1000 O GLU A 75 3.031 -8.772 6.857 1.00 0.00 O ATOM 1001 CB GLU A 75 3.729 -11.202 4.638 1.00 0.00 C ATOM 1002 CG GLU A 75 4.169 -12.667 4.642 1.00 0.00 C ATOM 1003 CD GLU A 75 5.056 -12.943 3.429 1.00 0.00 C ATOM 1004 OE1 GLU A 75 5.371 -11.998 2.725 1.00 0.00 O ATOM 1005 OE2 GLU A 75 5.412 -14.093 3.228 1.00 0.00 O ATOM 0 H GLU A 75 1.451 -12.184 4.757 1.00 0.00 H new ATOM 0 HA GLU A 75 3.283 -11.289 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.207 -10.971 3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.601 -10.550 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.712 -12.891 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.296 -13.319 4.622 1.00 0.00 H new ATOM 1012 N LEU A 76 1.799 -8.885 5.050 1.00 0.00 N ATOM 1013 CA LEU A 76 1.504 -7.423 5.108 1.00 0.00 C ATOM 1014 C LEU A 76 0.696 -7.124 6.376 1.00 0.00 C ATOM 1015 O LEU A 76 0.855 -6.097 7.005 1.00 0.00 O ATOM 1016 CB LEU A 76 0.707 -7.015 3.860 1.00 0.00 C ATOM 1017 CG LEU A 76 0.364 -5.517 3.908 1.00 0.00 C ATOM 1018 CD1 LEU A 76 1.650 -4.681 4.014 1.00 0.00 C ATOM 1019 CD2 LEU A 76 -0.392 -5.133 2.630 1.00 0.00 C ATOM 0 H LEU A 76 1.370 -9.384 4.270 1.00 0.00 H new ATOM 0 HA LEU A 76 2.434 -6.854 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.287 -7.233 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.209 -7.602 3.798 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.258 -5.319 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.394 -3.622 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.187 -4.953 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.282 -4.874 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.638 -4.072 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.234 -5.338 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.310 -5.717 2.561 1.00 0.00 H new ATOM 1031 N ASP A 77 -0.173 -8.019 6.749 1.00 0.00 N ATOM 1032 CA ASP A 77 -1.000 -7.806 7.973 1.00 0.00 C ATOM 1033 C ASP A 77 -0.081 -7.705 9.197 1.00 0.00 C ATOM 1034 O ASP A 77 -0.273 -6.884 10.073 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.948 -8.995 8.146 1.00 0.00 C ATOM 1036 CG ASP A 77 -3.067 -8.921 7.106 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -3.136 -7.922 6.410 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.837 -9.864 7.025 1.00 0.00 O ATOM 0 H ASP A 77 -0.349 -8.895 6.257 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.576 -6.886 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.398 -9.930 8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.372 -8.991 9.150 1.00 0.00 H new ATOM 1043 N LYS A 78 0.920 -8.536 9.260 1.00 0.00 N ATOM 1044 CA LYS A 78 1.868 -8.490 10.416 1.00 0.00 C ATOM 1045 C LYS A 78 2.647 -7.172 10.393 1.00 0.00 C ATOM 1046 O LYS A 78 2.974 -6.607 11.418 1.00 0.00 O ATOM 1047 CB LYS A 78 2.855 -9.655 10.323 1.00 0.00 C ATOM 1048 CG LYS A 78 2.136 -10.969 10.637 1.00 0.00 C ATOM 1049 CD LYS A 78 3.159 -12.110 10.735 1.00 0.00 C ATOM 1050 CE LYS A 78 3.696 -12.467 9.345 1.00 0.00 C ATOM 1051 NZ LYS A 78 4.404 -13.776 9.408 1.00 0.00 N ATOM 0 H LYS A 78 1.127 -9.249 8.560 1.00 0.00 H new ATOM 0 HA LYS A 78 1.300 -8.565 11.343 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.289 -9.697 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.678 -9.504 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.587 -10.879 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.405 -11.189 9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.982 -11.814 11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.694 -12.986 11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.876 -12.519 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.376 -11.690 8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.769 -14.019 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.196 -13.711 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.742 -14.514 9.724 1.00 0.00 H new ATOM 1065 N MET A 79 2.953 -6.686 9.226 1.00 0.00 N ATOM 1066 CA MET A 79 3.717 -5.408 9.119 1.00 0.00 C ATOM 1067 C MET A 79 2.894 -4.276 9.739 1.00 0.00 C ATOM 1068 O MET A 79 3.413 -3.388 10.386 1.00 0.00 O ATOM 1069 CB MET A 79 3.962 -5.094 7.636 1.00 0.00 C ATOM 1070 CG MET A 79 5.065 -5.999 7.080 1.00 0.00 C ATOM 1071 SD MET A 79 6.650 -5.566 7.843 1.00 0.00 S ATOM 1072 CE MET A 79 6.829 -3.918 7.110 1.00 0.00 C ATOM 0 H MET A 79 2.707 -7.118 8.335 1.00 0.00 H new ATOM 0 HA MET A 79 4.669 -5.502 9.642 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.042 -5.239 7.069 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.247 -4.048 7.520 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.827 -7.044 7.280 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.129 -5.888 5.998 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.886 -3.701 6.956 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.309 -3.887 6.152 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.399 -3.173 7.780 1.00 0.00 H new ATOM 1082 N PHE A 80 1.611 -4.300 9.533 1.00 0.00 N ATOM 1083 CA PHE A 80 0.737 -3.229 10.084 1.00 0.00 C ATOM 1084 C PHE A 80 0.923 -3.126 11.599 1.00 0.00 C ATOM 1085 O PHE A 80 1.052 -4.110 12.299 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.732 -3.566 9.764 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.113 -2.985 8.419 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.277 -3.178 7.314 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.295 -2.247 8.283 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -0.625 -2.635 6.073 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.641 -1.705 7.043 1.00 0.00 C ATOM 1092 CZ PHE A 80 -1.806 -1.899 5.938 1.00 0.00 C ATOM 0 H PHE A 80 1.124 -5.022 9.002 1.00 0.00 H new ATOM 0 HA PHE A 80 1.005 -2.274 9.632 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.873 -4.647 9.756 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.384 -3.165 10.541 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.636 -3.746 7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.939 -2.097 9.137 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.019 -2.784 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.553 -1.136 6.938 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.074 -1.480 4.979 1.00 0.00 H new ATOM 1102 N GLN A 81 0.930 -1.922 12.103 1.00 0.00 N ATOM 1103 CA GLN A 81 1.095 -1.705 13.568 1.00 0.00 C ATOM 1104 C GLN A 81 -0.248 -1.289 14.164 1.00 0.00 C ATOM 1105 O GLN A 81 -0.448 -1.345 15.360 1.00 0.00 O ATOM 1106 CB GLN A 81 2.116 -0.586 13.788 1.00 0.00 C ATOM 1107 CG GLN A 81 2.210 -0.245 15.285 1.00 0.00 C ATOM 1108 CD GLN A 81 1.105 0.746 15.675 1.00 0.00 C ATOM 1109 OE1 GLN A 81 0.568 1.443 14.837 1.00 0.00 O ATOM 1110 NE2 GLN A 81 0.744 0.837 16.925 1.00 0.00 N ATOM 0 H GLN A 81 0.827 -1.068 11.554 1.00 0.00 H new ATOM 0 HA GLN A 81 1.440 -2.621 14.048 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.092 -0.895 13.415 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.825 0.299 13.223 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.119 -1.155 15.879 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.187 0.184 15.507 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.194 0.253 17.630 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.012 1.493 17.198 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.174 -0.868 13.336 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.518 -0.439 13.851 1.00 0.00 C ATOM 1121 C GLU A 82 -3.626 -1.078 12.996 1.00 0.00 C ATOM 1122 O GLU A 82 -3.416 -1.409 11.848 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.624 1.097 13.780 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.810 1.610 12.597 1.00 0.00 C ATOM 1125 CD GLU A 82 -2.129 3.088 12.365 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -1.713 3.898 13.176 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -2.789 3.385 11.382 1.00 0.00 O ATOM 0 H GLU A 82 -1.059 -0.802 12.325 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.634 -0.763 14.885 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.667 1.395 13.674 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.258 1.540 14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.745 1.482 12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.043 1.031 11.703 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.801 -1.241 13.558 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.971 -1.837 12.843 1.00 0.00 C ATOM 1136 C PRO A 83 -6.450 -0.973 11.669 1.00 0.00 C ATOM 1137 O PRO A 83 -6.120 0.191 11.551 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.057 -1.944 13.933 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.666 -0.940 14.969 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.144 -0.885 14.947 1.00 0.00 C ATOM 0 HA PRO A 83 -5.720 -2.797 12.392 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.046 -1.728 13.528 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.097 -2.949 14.353 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.095 0.037 14.747 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.032 -1.232 15.953 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.775 0.107 15.209 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.708 -1.585 15.659 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.219 -1.556 10.793 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.718 -0.806 9.608 1.00 0.00 C ATOM 1150 C ARG A 84 -8.624 0.343 10.049 1.00 0.00 C ATOM 1151 O ARG A 84 -9.476 0.198 10.904 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.510 -1.759 8.708 1.00 0.00 C ATOM 1153 CG ARG A 84 -7.557 -2.784 8.089 1.00 0.00 C ATOM 1154 CD ARG A 84 -8.349 -3.776 7.229 1.00 0.00 C ATOM 1155 NE ARG A 84 -9.216 -4.617 8.109 1.00 0.00 N ATOM 1156 CZ ARG A 84 -10.028 -5.500 7.591 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -10.084 -5.672 6.299 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -10.790 -6.215 8.375 1.00 0.00 N ATOM 0 H ARG A 84 -7.525 -2.527 10.848 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.868 -0.395 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.281 -2.267 9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.018 -1.198 7.923 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.809 -2.277 7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.021 -3.317 8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.961 -3.238 6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.666 -4.408 6.662 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.174 -4.501 9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.491 -5.115 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.721 -6.364 5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.749 -6.082 9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.426 -6.906 7.977 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.437 1.491 9.457 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.270 2.678 9.810 1.00 0.00 C ATOM 1174 C LYS A 85 -9.642 3.440 8.540 1.00 0.00 C ATOM 1175 O LYS A 85 -8.927 3.430 7.556 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.488 3.600 10.745 1.00 0.00 C ATOM 1177 CG LYS A 85 -8.299 2.906 12.095 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.572 3.849 13.058 1.00 0.00 C ATOM 1179 CE LYS A 85 -7.410 3.173 14.424 1.00 0.00 C ATOM 1180 NZ LYS A 85 -6.236 2.257 14.387 1.00 0.00 N ATOM 0 H LYS A 85 -7.735 1.660 8.736 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.177 2.341 10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.519 3.843 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.022 4.541 10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.267 2.622 12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.726 1.988 11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.594 4.113 12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.133 4.777 13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.274 3.926 15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.312 2.616 14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.135 1.785 15.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.377 1.542 13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.375 2.804 14.182 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.762 4.099 8.562 1.00 0.00 N ATOM 1195 CA GLY A 86 -11.209 4.866 7.366 1.00 0.00 C ATOM 1196 C GLY A 86 -10.219 5.987 7.048 1.00 0.00 C ATOM 1197 O GLY A 86 -9.531 6.500 7.909 1.00 0.00 O ATOM 0 H GLY A 86 -11.393 4.141 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -11.297 4.197 6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -12.198 5.287 7.545 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.155 6.365 5.803 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.230 7.454 5.382 1.00 0.00 C ATOM 1203 C TYR A 87 -9.585 8.744 6.128 1.00 0.00 C ATOM 1204 O TYR A 87 -8.727 9.468 6.593 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.376 7.678 3.878 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.511 8.839 3.452 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.127 8.669 3.333 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.089 10.085 3.175 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.321 9.745 2.938 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.283 11.159 2.780 1.00 0.00 C ATOM 1211 CZ TYR A 87 -6.899 10.989 2.662 1.00 0.00 C ATOM 1212 OH TYR A 87 -6.105 12.049 2.272 1.00 0.00 O ATOM 0 H TYR A 87 -10.711 5.961 5.049 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.202 7.175 5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.086 6.778 3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.418 7.878 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.680 7.709 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.157 10.217 3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.253 9.614 2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.729 12.119 2.566 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.665 12.838 2.119 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.848 9.035 6.238 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.279 10.275 6.949 1.00 0.00 C ATOM 1224 C ASP A 88 -10.853 10.204 8.421 1.00 0.00 C ATOM 1225 O ASP A 88 -10.470 11.193 9.017 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.804 10.389 6.877 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.229 10.766 5.456 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.357 11.072 4.660 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.420 10.739 5.189 1.00 0.00 O ATOM 0 H ASP A 88 -11.608 8.466 5.865 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.815 11.141 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.263 9.443 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.155 11.141 7.583 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.936 9.045 9.012 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.555 8.898 10.452 1.00 0.00 C ATOM 1236 C GLU A 89 -9.081 9.274 10.656 1.00 0.00 C ATOM 1237 O GLU A 89 -8.738 10.023 11.550 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.749 7.440 10.873 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.231 7.060 10.798 1.00 0.00 C ATOM 1240 CD GLU A 89 -13.024 7.862 11.832 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.652 7.824 12.994 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -13.992 8.496 11.446 1.00 0.00 O ATOM 0 H GLU A 89 -11.252 8.187 8.561 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.182 9.558 11.052 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.165 6.786 10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.380 7.295 11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.616 7.257 9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.352 5.992 10.981 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.204 8.758 9.840 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.753 9.090 10.000 1.00 0.00 C ATOM 1251 C ILE A 90 -6.501 10.542 9.587 1.00 0.00 C ATOM 1252 O ILE A 90 -5.628 11.208 10.107 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.909 8.150 9.129 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.396 8.212 7.677 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.044 6.718 9.648 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.438 7.426 6.769 1.00 0.00 C ATOM 0 H ILE A 90 -8.424 8.124 9.072 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.471 8.963 11.045 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.865 8.460 9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.402 7.798 7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.454 9.249 7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.445 6.049 9.030 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.694 6.670 10.679 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.089 6.413 9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.791 7.475 5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.440 7.859 6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.403 6.385 7.091 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.255 11.036 8.649 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.055 12.442 8.201 1.00 0.00 C ATOM 1270 C LEU A 91 -7.363 13.394 9.358 1.00 0.00 C ATOM 1271 O LEU A 91 -6.657 14.352 9.602 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.002 12.744 7.031 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.831 14.202 6.573 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -6.371 14.458 6.162 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -8.761 14.476 5.384 1.00 0.00 C ATOM 0 H LEU A 91 -8.001 10.529 8.172 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.022 12.578 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.795 12.068 6.202 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.034 12.569 7.334 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.087 14.869 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.260 15.493 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.715 14.271 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.101 13.792 5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.641 15.509 5.059 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.509 13.805 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.795 14.309 5.685 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.423 13.134 10.067 1.00 0.00 N ATOM 1288 CA GLU A 92 -8.799 14.013 11.210 1.00 0.00 C ATOM 1289 C GLU A 92 -7.755 13.871 12.324 1.00 0.00 C ATOM 1290 O GLU A 92 -7.342 14.832 12.942 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.169 13.575 11.739 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.248 13.885 10.698 1.00 0.00 C ATOM 1293 CD GLU A 92 -12.604 13.367 11.188 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -12.645 12.802 12.269 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.577 13.541 10.472 1.00 0.00 O ATOM 0 H GLU A 92 -9.050 12.346 9.904 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.841 15.052 10.883 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.160 12.508 11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.391 14.092 12.672 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.300 14.960 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.993 13.419 9.746 1.00 0.00 H new ATOM 1302 N HIS A 93 -7.332 12.667 12.576 1.00 0.00 N ATOM 1303 CA HIS A 93 -6.316 12.423 13.647 1.00 0.00 C ATOM 1304 C HIS A 93 -6.770 13.049 14.977 1.00 0.00 C ATOM 1305 O HIS A 93 -7.679 12.568 15.622 1.00 0.00 O ATOM 1306 CB HIS A 93 -4.971 13.032 13.238 1.00 0.00 C ATOM 1307 CG HIS A 93 -3.960 12.783 14.328 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -3.563 11.505 14.694 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -3.255 13.639 15.140 1.00 0.00 C ATOM 1310 CE1 HIS A 93 -2.658 11.629 15.682 1.00 0.00 C ATOM 1311 NE2 HIS A 93 -2.435 12.908 15.993 1.00 0.00 N ATOM 0 H HIS A 93 -7.646 11.830 12.084 1.00 0.00 H new ATOM 0 HA HIS A 93 -6.209 11.346 13.779 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -4.629 12.592 12.301 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -5.081 14.103 13.066 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -3.327 14.716 15.119 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.171 10.795 16.165 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.800 13.271 16.704 1.00 0.00 H new ATOM 1319 N HIS A 94 -6.128 14.108 15.396 1.00 0.00 N ATOM 1320 CA HIS A 94 -6.502 14.769 16.690 1.00 0.00 C ATOM 1321 C HIS A 94 -7.665 15.757 16.452 1.00 0.00 C ATOM 1322 O HIS A 94 -8.183 16.371 17.371 1.00 0.00 O ATOM 1323 CB HIS A 94 -5.284 15.510 17.231 1.00 0.00 C ATOM 1324 CG HIS A 94 -5.555 15.955 18.635 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -5.704 15.056 19.678 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -5.716 17.201 19.184 1.00 0.00 C ATOM 1327 CE1 HIS A 94 -5.942 15.768 20.794 1.00 0.00 C ATOM 1328 NE2 HIS A 94 -5.960 17.081 20.550 1.00 0.00 N ATOM 0 H HIS A 94 -5.355 14.549 14.897 1.00 0.00 H new ATOM 0 HA HIS A 94 -6.824 14.020 17.413 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.409 14.861 17.206 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.060 16.371 16.602 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -5.662 18.133 18.641 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -6.099 15.331 21.769 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -6.118 17.834 21.220 1.00 0.00 H new ATOM 1336 N HIS A 95 -8.056 15.876 15.204 1.00 0.00 N ATOM 1337 CA HIS A 95 -9.194 16.771 14.758 1.00 0.00 C ATOM 1338 C HIS A 95 -9.065 18.233 15.200 1.00 0.00 C ATOM 1339 O HIS A 95 -9.324 18.596 16.333 1.00 0.00 O ATOM 1340 CB HIS A 95 -10.555 16.201 15.195 1.00 0.00 C ATOM 1341 CG HIS A 95 -10.624 15.966 16.680 1.00 0.00 C ATOM 1342 ND1 HIS A 95 -10.038 14.866 17.287 1.00 0.00 N ATOM 1343 CD2 HIS A 95 -11.252 16.657 17.688 1.00 0.00 C ATOM 1344 CE1 HIS A 95 -10.324 14.926 18.601 1.00 0.00 C ATOM 1345 NE2 HIS A 95 -11.062 15.999 18.899 1.00 0.00 N ATOM 0 H HIS A 95 -7.616 15.368 14.436 1.00 0.00 H new ATOM 0 HA HIS A 95 -9.132 16.780 13.670 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.347 16.890 14.901 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -10.739 15.263 14.672 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -11.809 17.573 17.560 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -9.997 14.196 19.326 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -11.411 16.276 19.817 1.00 0.00 H new ATOM 1353 N HIS A 96 -8.703 19.077 14.261 1.00 0.00 N ATOM 1354 CA HIS A 96 -8.574 20.546 14.524 1.00 0.00 C ATOM 1355 C HIS A 96 -9.974 21.175 14.601 1.00 0.00 C ATOM 1356 O HIS A 96 -10.845 20.894 13.798 1.00 0.00 O ATOM 1357 CB HIS A 96 -7.792 21.194 13.377 1.00 0.00 C ATOM 1358 CG HIS A 96 -7.584 22.655 13.669 1.00 0.00 C ATOM 1359 ND1 HIS A 96 -6.656 23.093 14.598 1.00 0.00 N ATOM 1360 CD2 HIS A 96 -8.174 23.788 13.163 1.00 0.00 C ATOM 1361 CE1 HIS A 96 -6.711 24.437 14.626 1.00 0.00 C ATOM 1362 NE2 HIS A 96 -7.620 24.913 13.770 1.00 0.00 N ATOM 0 H HIS A 96 -8.487 18.802 13.303 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.050 20.706 15.466 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -6.830 20.697 13.253 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -8.335 21.074 12.440 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.948 23.804 12.410 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -6.096 25.056 15.263 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -7.857 25.890 13.598 1.00 0.00 H new ATOM 1370 N HIS A 97 -10.190 22.014 15.574 1.00 0.00 N ATOM 1371 CA HIS A 97 -11.523 22.666 15.744 1.00 0.00 C ATOM 1372 C HIS A 97 -11.659 23.872 14.809 1.00 0.00 C ATOM 1373 O HIS A 97 -10.787 24.169 14.017 1.00 0.00 O ATOM 1374 CB HIS A 97 -11.668 23.137 17.192 1.00 0.00 C ATOM 1375 CG HIS A 97 -13.093 23.551 17.450 1.00 0.00 C ATOM 1376 ND1 HIS A 97 -14.148 22.663 17.333 1.00 0.00 N ATOM 1377 CD2 HIS A 97 -13.652 24.750 17.821 1.00 0.00 C ATOM 1378 CE1 HIS A 97 -15.278 23.333 17.627 1.00 0.00 C ATOM 1379 NE2 HIS A 97 -15.031 24.609 17.931 1.00 0.00 N ATOM 0 H HIS A 97 -9.492 22.281 16.269 1.00 0.00 H new ATOM 0 HA HIS A 97 -12.301 21.943 15.500 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -11.382 22.337 17.875 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -10.996 23.974 17.382 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -13.104 25.663 18.000 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -16.264 22.892 17.618 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -15.708 25.327 18.189 1.00 0.00 H new ATOM 1387 N HIS A 98 -12.767 24.559 14.903 1.00 0.00 N ATOM 1388 CA HIS A 98 -13.009 25.752 14.038 1.00 0.00 C ATOM 1389 C HIS A 98 -12.882 25.358 12.565 1.00 0.00 C ATOM 1390 O HIS A 98 -13.414 24.320 12.205 1.00 0.00 O ATOM 1391 CB HIS A 98 -12.004 26.861 14.372 1.00 0.00 C ATOM 1392 CG HIS A 98 -12.282 27.385 15.755 1.00 0.00 C ATOM 1393 ND1 HIS A 98 -13.485 27.990 16.089 1.00 0.00 N ATOM 1394 CD2 HIS A 98 -11.522 27.409 16.899 1.00 0.00 C ATOM 1395 CE1 HIS A 98 -13.415 28.347 17.385 1.00 0.00 C ATOM 1396 NE2 HIS A 98 -12.240 28.016 17.927 1.00 0.00 N ATOM 1397 OXT HIS A 98 -12.265 26.100 11.819 1.00 0.00 O ATOM 0 H HIS A 98 -13.524 24.341 15.551 1.00 0.00 H new ATOM 0 HA HIS A 98 -14.016 26.125 14.223 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -10.986 26.475 14.315 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -12.080 27.668 13.643 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.520 27.017 16.988 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -14.212 28.841 17.921 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -11.934 28.174 18.887 1.00 0.00 H new TER 1405 HIS A 98