USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 645 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 79 THR OG1 : rot 80:sc= -0.167 USER MOD Set 1.2: A 88 THR OG1 : rot -17:sc= 0.455 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -169:sc= 0.867 (180deg=0.0197) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0.669 USER MOD Set 2.3: A 78 TYR OH : rot 180:sc= -0.352 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.7!) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.827 USER MOD Single : A 33 SER OG : rot -16:sc= 0.488! USER MOD Single : A 40 HIS : no HE2:sc=-0.000871 X(o=-0.00087,f=-0.25) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= 1.32 (180deg=0.991) USER MOD Single : A 61 THR OG1 : rot 98:sc= 0.0355 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -108:sc= -0.0054 (180deg=-1.83) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= -1.25 (180deg=-2.28!) USER MOD Single : A 80 CYS SG : rot 180:sc= -3.17! USER MOD Single : A 85 SER OG : rot -160:sc= -0.955 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 90:sc= -0.0153 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0.0495 K(o=0.05,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.484 20.050 -1.264 1.00 0.00 N ATOM 81 CA ALA A 9 4.801 18.638 -1.435 1.00 0.00 C ATOM 82 C ALA A 9 3.541 17.821 -1.701 1.00 0.00 C ATOM 83 O ALA A 9 3.379 16.723 -1.168 1.00 0.00 O ATOM 84 CB ALA A 9 5.528 18.108 -0.209 1.00 0.00 C ATOM 0 HA ALA A 9 5.455 18.540 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.758 17.052 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.454 18.665 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.894 18.226 0.670 1.00 0.00 H new ATOM 90 N ALA A 10 2.653 18.363 -2.527 1.00 0.00 N ATOM 91 CA ALA A 10 1.408 17.683 -2.864 1.00 0.00 C ATOM 92 C ALA A 10 1.669 16.466 -3.746 1.00 0.00 C ATOM 93 O ALA A 10 2.783 16.268 -4.232 1.00 0.00 O ATOM 94 CB ALA A 10 0.452 18.643 -3.555 1.00 0.00 C ATOM 0 H ALA A 10 2.772 19.271 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 10 0.950 17.336 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.473 18.121 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.232 19.479 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.911 19.018 -4.470 1.00 0.00 H new ATOM 100 N ILE A 11 0.636 15.655 -3.947 1.00 0.00 N ATOM 101 CA ILE A 11 0.754 14.459 -4.771 1.00 0.00 C ATOM 102 C ILE A 11 0.297 14.728 -6.201 1.00 0.00 C ATOM 103 O ILE A 11 -0.814 15.208 -6.428 1.00 0.00 O ATOM 104 CB ILE A 11 -0.069 13.293 -4.192 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.450 12.913 -2.804 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.021 12.094 -5.128 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.569 12.184 -1.956 1.00 0.00 C ATOM 0 H ILE A 11 -0.292 15.805 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 11 1.808 14.182 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.107 13.613 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.334 12.285 -2.915 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.764 13.817 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.607 11.278 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.434 12.373 -6.098 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.013 11.771 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.132 11.946 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.444 12.818 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.866 11.262 -2.456 1.00 0.00 H new ATOM 119 N ILE A 12 1.160 14.415 -7.161 1.00 0.00 N ATOM 120 CA ILE A 12 0.844 14.621 -8.569 1.00 0.00 C ATOM 121 C ILE A 12 0.276 13.352 -9.196 1.00 0.00 C ATOM 122 O ILE A 12 -0.622 13.410 -10.036 1.00 0.00 O ATOM 123 CB ILE A 12 2.086 15.062 -9.366 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.353 14.465 -8.751 1.00 0.00 C ATOM 125 CG2 ILE A 12 2.176 16.580 -9.409 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.867 15.239 -7.557 1.00 0.00 C ATOM 0 H ILE A 12 2.084 14.018 -6.990 1.00 0.00 H new ATOM 0 HA ILE A 12 0.095 15.412 -8.612 1.00 0.00 H new ATOM 0 HB ILE A 12 1.993 14.694 -10.388 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.151 13.438 -8.448 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.133 14.426 -9.512 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.059 16.876 -9.976 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.284 16.984 -9.889 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.249 16.969 -8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.767 14.759 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.101 16.260 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.104 15.256 -6.779 1.00 0.00 H new ATOM 138 N LYS A 13 0.803 12.206 -8.780 1.00 0.00 N ATOM 139 CA LYS A 13 0.347 10.921 -9.297 1.00 0.00 C ATOM 140 C LYS A 13 -0.427 10.150 -8.233 1.00 0.00 C ATOM 141 O LYS A 13 0.146 9.585 -7.301 1.00 0.00 O ATOM 142 CB LYS A 13 1.539 10.090 -9.778 1.00 0.00 C ATOM 143 CG LYS A 13 2.144 10.591 -11.078 1.00 0.00 C ATOM 144 CD LYS A 13 3.051 9.548 -11.709 1.00 0.00 C ATOM 145 CE LYS A 13 2.288 8.660 -12.680 1.00 0.00 C ATOM 146 NZ LYS A 13 3.198 7.760 -13.441 1.00 0.00 N ATOM 0 H LYS A 13 1.547 12.141 -8.085 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.319 11.112 -10.139 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.308 10.091 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.221 9.056 -9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.347 10.851 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.712 11.502 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.868 10.044 -12.233 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.499 8.934 -10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.561 8.061 -12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.727 9.282 -13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.640 7.171 -14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.875 8.331 -13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.715 7.148 -12.778 1.00 0.00 H new ATOM 160 N PRO A 14 -1.761 10.124 -8.373 1.00 0.00 N ATOM 161 CA PRO A 14 -2.642 9.423 -7.434 1.00 0.00 C ATOM 162 C PRO A 14 -2.504 7.908 -7.531 1.00 0.00 C ATOM 163 O PRO A 14 -2.086 7.376 -8.560 1.00 0.00 O ATOM 164 CB PRO A 14 -4.043 9.861 -7.868 1.00 0.00 C ATOM 165 CG PRO A 14 -3.899 10.217 -9.308 1.00 0.00 C ATOM 166 CD PRO A 14 -2.511 10.775 -9.460 1.00 0.00 C ATOM 0 HA PRO A 14 -2.407 9.664 -6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.769 9.060 -7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.391 10.712 -7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.039 9.342 -9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.649 10.950 -9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.088 10.540 -10.437 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.501 11.860 -9.361 1.00 0.00 H new ATOM 174 N LEU A 15 -2.857 7.217 -6.453 1.00 0.00 N ATOM 175 CA LEU A 15 -2.773 5.761 -6.416 1.00 0.00 C ATOM 176 C LEU A 15 -3.785 5.132 -7.369 1.00 0.00 C ATOM 177 O LEU A 15 -4.629 5.824 -7.936 1.00 0.00 O ATOM 178 CB LEU A 15 -3.012 5.252 -4.993 1.00 0.00 C ATOM 179 CG LEU A 15 -2.214 5.947 -3.889 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.966 5.886 -2.568 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.836 5.317 -3.750 1.00 0.00 C ATOM 0 H LEU A 15 -3.204 7.641 -5.593 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.772 5.472 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.073 5.354 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.781 4.187 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.087 6.994 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.383 6.385 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.930 6.384 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.125 4.845 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.282 5.824 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.942 4.262 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.295 5.413 -4.691 1.00 0.00 H new ATOM 193 N GLU A 16 -3.693 3.817 -7.538 1.00 0.00 N ATOM 194 CA GLU A 16 -4.602 3.096 -8.422 1.00 0.00 C ATOM 195 C GLU A 16 -5.001 1.754 -7.814 1.00 0.00 C ATOM 196 O GLU A 16 -4.194 1.089 -7.166 1.00 0.00 O ATOM 197 CB GLU A 16 -3.951 2.875 -9.789 1.00 0.00 C ATOM 198 CG GLU A 16 -3.606 4.165 -10.514 1.00 0.00 C ATOM 199 CD GLU A 16 -3.266 3.940 -11.974 1.00 0.00 C ATOM 200 OE1 GLU A 16 -4.187 3.624 -12.757 1.00 0.00 O ATOM 201 OE2 GLU A 16 -2.079 4.081 -12.335 1.00 0.00 O ATOM 0 H GLU A 16 -2.999 3.230 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.500 3.700 -8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.042 2.287 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.625 2.287 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.448 4.854 -10.443 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.761 4.642 -10.017 1.00 0.00 H new ATOM 208 N ASP A 17 -6.253 1.364 -8.028 1.00 0.00 N ATOM 209 CA ASP A 17 -6.761 0.103 -7.502 1.00 0.00 C ATOM 210 C ASP A 17 -5.804 -1.042 -7.818 1.00 0.00 C ATOM 211 O ASP A 17 -5.303 -1.153 -8.936 1.00 0.00 O ATOM 212 CB ASP A 17 -8.144 -0.197 -8.084 1.00 0.00 C ATOM 213 CG ASP A 17 -9.173 0.847 -7.697 1.00 0.00 C ATOM 214 OD1 ASP A 17 -9.061 1.995 -8.176 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.089 0.517 -6.916 1.00 0.00 O ATOM 0 H ASP A 17 -6.934 1.903 -8.562 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.843 0.196 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.074 -0.249 -9.171 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.476 -1.176 -7.738 1.00 0.00 H new ATOM 220 N GLN A 18 -5.555 -1.890 -6.825 1.00 0.00 N ATOM 221 CA GLN A 18 -4.657 -3.025 -6.997 1.00 0.00 C ATOM 222 C GLN A 18 -5.437 -4.335 -7.044 1.00 0.00 C ATOM 223 O GLN A 18 -6.403 -4.520 -6.303 1.00 0.00 O ATOM 224 CB GLN A 18 -3.632 -3.068 -5.862 1.00 0.00 C ATOM 225 CG GLN A 18 -2.723 -1.851 -5.816 1.00 0.00 C ATOM 226 CD GLN A 18 -1.936 -1.661 -7.098 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.967 -2.509 -7.990 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.224 -0.545 -7.196 1.00 0.00 N ATOM 0 H GLN A 18 -5.963 -1.812 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.134 -2.901 -7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.158 -3.154 -4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.021 -3.964 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.323 -0.961 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.030 -1.951 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.227 0.131 -6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.674 -0.363 -8.035 1.00 0.00 H new ATOM 237 N TRP A 19 -5.012 -5.240 -7.918 1.00 0.00 N ATOM 238 CA TRP A 19 -5.672 -6.532 -8.061 1.00 0.00 C ATOM 239 C TRP A 19 -4.692 -7.674 -7.811 1.00 0.00 C ATOM 240 O TRP A 19 -3.954 -8.079 -8.709 1.00 0.00 O ATOM 241 CB TRP A 19 -6.283 -6.665 -9.457 1.00 0.00 C ATOM 242 CG TRP A 19 -7.571 -5.916 -9.615 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.823 -6.366 -9.305 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.735 -4.588 -10.123 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.755 -5.396 -9.590 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.112 -4.296 -10.092 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.851 -3.616 -10.600 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.624 -3.074 -10.520 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.360 -2.403 -11.024 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.736 -2.140 -10.982 1.00 0.00 C ATOM 0 H TRP A 19 -4.214 -5.103 -8.538 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.467 -6.590 -7.318 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.567 -6.303 -10.195 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.456 -7.720 -9.671 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -9.048 -7.340 -8.896 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.762 -5.482 -9.450 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.789 -3.809 -10.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.684 -2.870 -10.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.686 -1.645 -11.394 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.103 -1.182 -11.321 1.00 0.00 H new ATOM 261 N VAL A 20 -4.691 -8.190 -6.586 1.00 0.00 N ATOM 262 CA VAL A 20 -3.803 -9.286 -6.219 1.00 0.00 C ATOM 263 C VAL A 20 -4.585 -10.448 -5.617 1.00 0.00 C ATOM 264 O VAL A 20 -5.815 -10.428 -5.575 1.00 0.00 O ATOM 265 CB VAL A 20 -2.731 -8.827 -5.213 1.00 0.00 C ATOM 266 CG1 VAL A 20 -2.017 -7.584 -5.723 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.355 -8.572 -3.850 1.00 0.00 C ATOM 0 H VAL A 20 -5.296 -7.866 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.313 -9.617 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.993 -9.622 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.263 -7.275 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.536 -7.806 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.740 -6.780 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.583 -8.248 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.114 -7.795 -3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.815 -9.489 -3.483 1.00 0.00 H new ATOM 277 N ALA A 21 -3.862 -11.462 -5.150 1.00 0.00 N ATOM 278 CA ALA A 21 -4.488 -12.632 -4.548 1.00 0.00 C ATOM 279 C ALA A 21 -4.287 -12.645 -3.036 1.00 0.00 C ATOM 280 O ALA A 21 -3.414 -11.966 -2.496 1.00 0.00 O ATOM 281 CB ALA A 21 -3.931 -13.906 -5.166 1.00 0.00 C ATOM 0 H ALA A 21 -2.843 -11.496 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.559 -12.583 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.408 -14.772 -4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.130 -13.908 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.855 -13.952 -4.997 1.00 0.00 H new ATOM 287 N PRO A 22 -5.115 -13.434 -2.335 1.00 0.00 N ATOM 288 CA PRO A 22 -5.048 -13.553 -0.875 1.00 0.00 C ATOM 289 C PRO A 22 -3.795 -14.288 -0.411 1.00 0.00 C ATOM 290 O PRO A 22 -3.821 -15.497 -0.186 1.00 0.00 O ATOM 291 CB PRO A 22 -6.301 -14.360 -0.528 1.00 0.00 C ATOM 292 CG PRO A 22 -6.605 -15.138 -1.761 1.00 0.00 C ATOM 293 CD PRO A 22 -6.179 -14.271 -2.913 1.00 0.00 C ATOM 0 HA PRO A 22 -5.003 -12.579 -0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.124 -15.019 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.130 -13.706 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.067 -16.086 -1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.668 -15.374 -1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.812 -14.866 -3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.005 -13.668 -3.289 1.00 0.00 H new ATOM 301 N GLY A 23 -2.699 -13.549 -0.269 1.00 0.00 N ATOM 302 CA GLY A 23 -1.452 -14.148 0.169 1.00 0.00 C ATOM 303 C GLY A 23 -0.240 -13.485 -0.456 1.00 0.00 C ATOM 304 O GLY A 23 0.895 -13.758 -0.064 1.00 0.00 O ATOM 0 H GLY A 23 -2.653 -12.546 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.381 -14.079 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.453 -15.208 -0.084 1.00 0.00 H new ATOM 308 N GLU A 24 -0.480 -12.613 -1.430 1.00 0.00 N ATOM 309 CA GLU A 24 0.602 -11.912 -2.110 1.00 0.00 C ATOM 310 C GLU A 24 0.917 -10.591 -1.415 1.00 0.00 C ATOM 311 O GLU A 24 0.252 -10.211 -0.451 1.00 0.00 O ATOM 312 CB GLU A 24 0.234 -11.657 -3.573 1.00 0.00 C ATOM 313 CG GLU A 24 -0.329 -12.877 -4.282 1.00 0.00 C ATOM 314 CD GLU A 24 -0.023 -12.883 -5.767 1.00 0.00 C ATOM 315 OE1 GLU A 24 -0.070 -11.799 -6.386 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.263 -13.970 -6.310 1.00 0.00 O ATOM 0 H GLU A 24 -1.413 -12.375 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 24 1.490 -12.543 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.498 -10.851 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.120 -11.314 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.081 -13.778 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.409 -12.910 -4.137 1.00 0.00 H new ATOM 323 N ASP A 25 1.934 -9.896 -1.911 1.00 0.00 N ATOM 324 CA ASP A 25 2.337 -8.616 -1.339 1.00 0.00 C ATOM 325 C ASP A 25 1.909 -7.460 -2.237 1.00 0.00 C ATOM 326 O ASP A 25 2.071 -7.514 -3.456 1.00 0.00 O ATOM 327 CB ASP A 25 3.852 -8.582 -1.130 1.00 0.00 C ATOM 328 CG ASP A 25 4.616 -9.063 -2.347 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.591 -8.360 -3.380 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.240 -10.142 -2.268 1.00 0.00 O ATOM 0 H ASP A 25 2.495 -10.197 -2.708 1.00 0.00 H new ATOM 0 HA ASP A 25 1.842 -8.505 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.160 -7.564 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.111 -9.203 -0.273 1.00 0.00 H new ATOM 335 N VAL A 26 1.361 -6.415 -1.626 1.00 0.00 N ATOM 336 CA VAL A 26 0.908 -5.245 -2.370 1.00 0.00 C ATOM 337 C VAL A 26 1.805 -4.042 -2.100 1.00 0.00 C ATOM 338 O VAL A 26 2.166 -3.770 -0.955 1.00 0.00 O ATOM 339 CB VAL A 26 -0.545 -4.880 -2.012 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.925 -3.540 -2.625 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.497 -5.974 -2.471 1.00 0.00 C ATOM 0 H VAL A 26 1.220 -6.354 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 26 0.959 -5.503 -3.428 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.623 -4.793 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.955 -3.298 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.261 -2.764 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.832 -3.596 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.519 -5.700 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.418 -6.095 -3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.237 -6.912 -1.981 1.00 0.00 H new ATOM 351 N GLU A 27 2.158 -3.324 -3.161 1.00 0.00 N ATOM 352 CA GLU A 27 3.013 -2.149 -3.038 1.00 0.00 C ATOM 353 C GLU A 27 2.376 -0.939 -3.715 1.00 0.00 C ATOM 354 O GLU A 27 2.379 -0.827 -4.942 1.00 0.00 O ATOM 355 CB GLU A 27 4.388 -2.425 -3.649 1.00 0.00 C ATOM 356 CG GLU A 27 5.127 -3.578 -2.991 1.00 0.00 C ATOM 357 CD GLU A 27 6.415 -3.931 -3.710 1.00 0.00 C ATOM 358 OE1 GLU A 27 7.467 -3.357 -3.361 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.370 -4.784 -4.622 1.00 0.00 O ATOM 0 H GLU A 27 1.865 -3.535 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 27 3.133 -1.928 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.268 -2.641 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.997 -1.524 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.352 -3.317 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.478 -4.453 -2.965 1.00 0.00 H new ATOM 366 N LEU A 28 1.830 -0.036 -2.908 1.00 0.00 N ATOM 367 CA LEU A 28 1.188 1.166 -3.428 1.00 0.00 C ATOM 368 C LEU A 28 2.167 2.336 -3.458 1.00 0.00 C ATOM 369 O LEU A 28 2.470 2.931 -2.424 1.00 0.00 O ATOM 370 CB LEU A 28 -0.030 1.527 -2.577 1.00 0.00 C ATOM 371 CG LEU A 28 -1.154 0.491 -2.541 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.909 0.567 -1.223 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.103 0.694 -3.713 1.00 0.00 C ATOM 0 H LEU A 28 1.819 -0.113 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 28 0.862 0.962 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.306 1.705 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.441 2.467 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.710 -0.501 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.705 -0.178 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.223 0.372 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.341 1.561 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.897 -0.052 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.539 1.691 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.554 0.588 -4.649 1.00 0.00 H new ATOM 385 N ARG A 29 2.655 2.662 -4.651 1.00 0.00 N ATOM 386 CA ARG A 29 3.598 3.761 -4.815 1.00 0.00 C ATOM 387 C ARG A 29 2.881 5.028 -5.272 1.00 0.00 C ATOM 388 O ARG A 29 1.804 4.964 -5.867 1.00 0.00 O ATOM 389 CB ARG A 29 4.683 3.384 -5.825 1.00 0.00 C ATOM 390 CG ARG A 29 5.472 2.144 -5.437 1.00 0.00 C ATOM 391 CD ARG A 29 6.577 1.850 -6.440 1.00 0.00 C ATOM 392 NE ARG A 29 6.061 1.728 -7.801 1.00 0.00 N ATOM 393 CZ ARG A 29 6.774 1.254 -8.817 1.00 0.00 C ATOM 394 NH1 ARG A 29 8.025 0.859 -8.626 1.00 0.00 N ATOM 395 NH2 ARG A 29 6.235 1.175 -10.027 1.00 0.00 N ATOM 0 H ARG A 29 2.413 2.181 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 29 4.063 3.955 -3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.220 3.220 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.371 4.222 -5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.906 2.282 -4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.799 1.289 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.321 2.646 -6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.085 0.927 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 29 5.101 2.023 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.442 0.919 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.570 0.495 -9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.273 1.478 -10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.783 0.811 -10.807 1.00 0.00 H new ATOM 409 N CYS A 30 3.485 6.178 -4.991 1.00 0.00 N ATOM 410 CA CYS A 30 2.904 7.460 -5.372 1.00 0.00 C ATOM 411 C CYS A 30 3.990 8.449 -5.784 1.00 0.00 C ATOM 412 O CYS A 30 5.169 8.100 -5.842 1.00 0.00 O ATOM 413 CB CYS A 30 2.085 8.036 -4.216 1.00 0.00 C ATOM 414 SG CYS A 30 3.051 9.015 -3.042 1.00 0.00 S ATOM 0 H CYS A 30 4.377 6.248 -4.501 1.00 0.00 H new ATOM 0 HA CYS A 30 2.247 7.293 -6.226 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.289 8.659 -4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.605 7.216 -3.681 1.00 0.00 H new ATOM 0 HG CYS A 30 2.270 9.460 -2.103 1.00 0.00 H new ATOM 420 N GLU A 31 3.584 9.682 -6.069 1.00 0.00 N ATOM 421 CA GLU A 31 4.523 10.719 -6.478 1.00 0.00 C ATOM 422 C GLU A 31 4.237 12.030 -5.750 1.00 0.00 C ATOM 423 O GLU A 31 3.080 12.418 -5.577 1.00 0.00 O ATOM 424 CB GLU A 31 4.450 10.937 -7.991 1.00 0.00 C ATOM 425 CG GLU A 31 5.654 11.670 -8.559 1.00 0.00 C ATOM 426 CD GLU A 31 6.838 10.752 -8.792 1.00 0.00 C ATOM 427 OE1 GLU A 31 6.729 9.849 -9.648 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.874 10.936 -8.118 1.00 0.00 O ATOM 0 H GLU A 31 2.612 9.987 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 31 5.527 10.388 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.358 9.970 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.548 11.502 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.376 12.144 -9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.946 12.467 -7.875 1.00 0.00 H new ATOM 435 N LEU A 32 5.297 12.707 -5.324 1.00 0.00 N ATOM 436 CA LEU A 32 5.161 13.974 -4.614 1.00 0.00 C ATOM 437 C LEU A 32 5.911 15.087 -5.339 1.00 0.00 C ATOM 438 O LEU A 32 7.003 14.874 -5.866 1.00 0.00 O ATOM 439 CB LEU A 32 5.686 13.838 -3.184 1.00 0.00 C ATOM 440 CG LEU A 32 5.300 12.555 -2.447 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.351 12.201 -1.406 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.932 12.703 -1.797 1.00 0.00 C ATOM 0 H LEU A 32 6.260 12.400 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 32 4.103 14.234 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.774 13.905 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.327 14.688 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 32 5.249 11.744 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.060 11.285 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.313 12.051 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.435 13.012 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.674 11.780 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.955 13.527 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.185 12.908 -2.564 1.00 0.00 H new ATOM 454 N SER A 33 5.318 16.277 -5.359 1.00 0.00 N ATOM 455 CA SER A 33 5.929 17.424 -6.020 1.00 0.00 C ATOM 456 C SER A 33 7.176 17.883 -5.271 1.00 0.00 C ATOM 457 O SER A 33 7.961 18.682 -5.781 1.00 0.00 O ATOM 458 CB SER A 33 4.927 18.576 -6.119 1.00 0.00 C ATOM 459 OG SER A 33 5.557 19.763 -6.569 1.00 0.00 O ATOM 0 H SER A 33 4.416 16.471 -4.925 1.00 0.00 H new ATOM 0 HA SER A 33 6.222 17.119 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.123 18.305 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.471 18.750 -5.145 1.00 0.00 H new ATOM 0 HG SER A 33 6.528 19.674 -6.475 1.00 0.00 H new ATOM 465 N ARG A 34 7.350 17.371 -4.057 1.00 0.00 N ATOM 466 CA ARG A 34 8.500 17.729 -3.235 1.00 0.00 C ATOM 467 C ARG A 34 8.801 16.634 -2.215 1.00 0.00 C ATOM 468 O ARG A 34 7.943 16.269 -1.412 1.00 0.00 O ATOM 469 CB ARG A 34 8.248 19.055 -2.516 1.00 0.00 C ATOM 470 CG ARG A 34 9.501 19.896 -2.332 1.00 0.00 C ATOM 471 CD ARG A 34 10.204 19.569 -1.023 1.00 0.00 C ATOM 472 NE ARG A 34 11.599 20.001 -1.028 1.00 0.00 N ATOM 473 CZ ARG A 34 12.310 20.199 0.076 1.00 0.00 C ATOM 474 NH1 ARG A 34 11.761 20.005 1.267 1.00 0.00 N ATOM 475 NH2 ARG A 34 13.575 20.592 -0.010 1.00 0.00 N ATOM 0 H ARG A 34 6.710 16.707 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 34 9.363 17.838 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.514 19.631 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.811 18.851 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.182 19.723 -3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.237 20.953 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.678 20.051 -0.199 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.158 18.495 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 34 12.052 20.159 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.789 19.703 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.310 20.158 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.001 20.742 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.121 20.744 0.838 1.00 0.00 H new ATOM 489 N ALA A 35 10.024 16.116 -2.253 1.00 0.00 N ATOM 490 CA ALA A 35 10.438 15.065 -1.332 1.00 0.00 C ATOM 491 C ALA A 35 10.473 15.577 0.104 1.00 0.00 C ATOM 492 O ALA A 35 10.081 16.710 0.379 1.00 0.00 O ATOM 493 CB ALA A 35 11.800 14.518 -1.733 1.00 0.00 C ATOM 0 H ALA A 35 10.746 16.407 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 35 9.706 14.259 -1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.097 13.734 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.744 14.106 -2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.536 15.322 -1.710 1.00 0.00 H new ATOM 534 N VAL A 39 3.648 11.566 5.341 1.00 0.00 N ATOM 535 CA VAL A 39 2.438 11.029 4.729 1.00 0.00 C ATOM 536 C VAL A 39 1.534 10.385 5.773 1.00 0.00 C ATOM 537 O VAL A 39 1.995 9.960 6.832 1.00 0.00 O ATOM 538 CB VAL A 39 2.772 9.990 3.642 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.105 8.646 4.273 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.618 9.856 2.661 1.00 0.00 C ATOM 0 HA VAL A 39 1.916 11.868 4.269 1.00 0.00 H new ATOM 0 HB VAL A 39 3.648 10.334 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.338 7.924 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.966 8.757 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.250 8.293 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.871 9.118 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.723 9.535 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.432 10.819 2.185 1.00 0.00 H new ATOM 550 N HIS A 40 0.242 10.314 5.466 1.00 0.00 N ATOM 551 CA HIS A 40 -0.729 9.720 6.378 1.00 0.00 C ATOM 552 C HIS A 40 -1.505 8.600 5.690 1.00 0.00 C ATOM 553 O HIS A 40 -2.434 8.856 4.924 1.00 0.00 O ATOM 554 CB HIS A 40 -1.696 10.786 6.892 1.00 0.00 C ATOM 555 CG HIS A 40 -2.224 10.503 8.265 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.590 11.495 9.150 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.449 9.331 8.903 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.015 10.946 10.273 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.940 9.633 10.149 1.00 0.00 N ATOM 0 H HIS A 40 -0.156 10.660 4.593 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.186 9.296 7.223 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.190 11.751 6.898 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.534 10.869 6.199 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.540 12.497 8.966 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.275 8.342 8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.364 11.480 11.145 1.00 0.00 H new ATOM 568 N TRP A 41 -1.118 7.361 5.969 1.00 0.00 N ATOM 569 CA TRP A 41 -1.778 6.203 5.377 1.00 0.00 C ATOM 570 C TRP A 41 -3.042 5.843 6.148 1.00 0.00 C ATOM 571 O TRP A 41 -2.975 5.339 7.271 1.00 0.00 O ATOM 572 CB TRP A 41 -0.825 5.007 5.348 1.00 0.00 C ATOM 573 CG TRP A 41 0.299 5.165 4.369 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.559 5.621 4.634 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.263 4.871 2.969 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.308 5.627 3.483 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.537 5.171 2.447 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.720 4.380 2.105 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.849 4.997 1.101 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.408 4.209 0.770 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.868 4.516 0.278 1.00 0.00 C ATOM 0 H TRP A 41 -0.351 7.132 6.601 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.059 6.459 4.356 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.410 4.858 6.345 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.389 4.108 5.100 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.914 5.931 5.606 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.281 5.923 3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.706 4.139 2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.832 5.234 0.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.161 3.832 0.093 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.081 4.370 -0.771 1.00 0.00 H new ATOM 592 N LEU A 42 -4.195 6.103 5.541 1.00 0.00 N ATOM 593 CA LEU A 42 -5.476 5.806 6.172 1.00 0.00 C ATOM 594 C LEU A 42 -6.183 4.660 5.455 1.00 0.00 C ATOM 595 O LEU A 42 -6.456 4.737 4.257 1.00 0.00 O ATOM 596 CB LEU A 42 -6.368 7.049 6.172 1.00 0.00 C ATOM 597 CG LEU A 42 -5.738 8.326 6.729 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.307 9.551 6.030 1.00 0.00 C ATOM 599 CD2 LEU A 42 -5.958 8.418 8.232 1.00 0.00 C ATOM 0 H LEU A 42 -4.269 6.519 4.613 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.284 5.504 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.688 7.242 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.265 6.828 6.750 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.665 8.291 6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.847 10.450 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.098 9.491 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.385 9.591 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.503 9.333 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.027 8.430 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.502 7.557 8.720 1.00 0.00 H new ATOM 611 N LYS A 43 -6.478 3.598 6.197 1.00 0.00 N ATOM 612 CA LYS A 43 -7.157 2.436 5.635 1.00 0.00 C ATOM 613 C LYS A 43 -8.576 2.318 6.181 1.00 0.00 C ATOM 614 O LYS A 43 -8.802 1.699 7.221 1.00 0.00 O ATOM 615 CB LYS A 43 -6.371 1.160 5.947 1.00 0.00 C ATOM 616 CG LYS A 43 -7.051 -0.107 5.460 1.00 0.00 C ATOM 617 CD LYS A 43 -6.708 -1.298 6.339 1.00 0.00 C ATOM 618 CE LYS A 43 -6.851 -2.609 5.583 1.00 0.00 C ATOM 619 NZ LYS A 43 -5.601 -2.971 4.858 1.00 0.00 N ATOM 0 H LYS A 43 -6.257 3.518 7.190 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.212 2.566 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.384 1.231 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.220 1.090 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.131 0.040 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.748 -0.312 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.687 -1.198 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.361 -1.307 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.109 -3.405 6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.673 -2.530 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.792 -3.762 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.266 -2.151 4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.871 -3.253 5.543 1.00 0.00 H new ATOM 633 N ASP A 44 -9.529 2.914 5.472 1.00 0.00 N ATOM 634 CA ASP A 44 -10.927 2.874 5.885 1.00 0.00 C ATOM 635 C ASP A 44 -11.168 3.789 7.081 1.00 0.00 C ATOM 636 O ASP A 44 -11.761 3.379 8.079 1.00 0.00 O ATOM 637 CB ASP A 44 -11.337 1.441 6.231 1.00 0.00 C ATOM 638 CG ASP A 44 -12.828 1.213 6.077 1.00 0.00 C ATOM 639 OD1 ASP A 44 -13.365 1.518 4.992 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.458 0.729 7.040 1.00 0.00 O ATOM 0 H ASP A 44 -9.359 3.430 4.609 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.536 3.228 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.798 0.746 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.042 1.219 7.257 1.00 0.00 H new ATOM 645 N ARG A 45 -10.702 5.029 6.974 1.00 0.00 N ATOM 646 CA ARG A 45 -10.864 6.001 8.049 1.00 0.00 C ATOM 647 C ARG A 45 -10.160 5.532 9.318 1.00 0.00 C ATOM 648 O ARG A 45 -10.685 5.675 10.422 1.00 0.00 O ATOM 649 CB ARG A 45 -12.349 6.235 8.334 1.00 0.00 C ATOM 650 CG ARG A 45 -13.118 6.785 7.144 1.00 0.00 C ATOM 651 CD ARG A 45 -12.932 8.289 7.008 1.00 0.00 C ATOM 652 NE ARG A 45 -13.891 9.034 7.818 1.00 0.00 N ATOM 653 CZ ARG A 45 -13.802 10.340 8.047 1.00 0.00 C ATOM 654 NH1 ARG A 45 -12.803 11.040 7.527 1.00 0.00 N ATOM 655 NH2 ARG A 45 -14.714 10.948 8.795 1.00 0.00 N ATOM 0 H ARG A 45 -10.210 5.384 6.154 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.410 6.938 7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.803 5.294 8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.445 6.928 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.781 6.292 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.178 6.557 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.919 8.558 7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.042 8.575 5.962 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.672 8.524 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.101 10.576 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.736 12.042 7.704 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.485 10.413 9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.644 11.950 8.970 1.00 0.00 H new ATOM 669 N LYS A 46 -8.967 4.969 9.153 1.00 0.00 N ATOM 670 CA LYS A 46 -8.189 4.479 10.284 1.00 0.00 C ATOM 671 C LYS A 46 -6.695 4.674 10.043 1.00 0.00 C ATOM 672 O LYS A 46 -6.124 4.089 9.123 1.00 0.00 O ATOM 673 CB LYS A 46 -8.487 2.998 10.531 1.00 0.00 C ATOM 674 CG LYS A 46 -9.858 2.746 11.134 1.00 0.00 C ATOM 675 CD LYS A 46 -10.301 1.307 10.932 1.00 0.00 C ATOM 676 CE LYS A 46 -11.804 1.155 11.111 1.00 0.00 C ATOM 677 NZ LYS A 46 -12.209 -0.274 11.212 1.00 0.00 N ATOM 0 H LYS A 46 -8.518 4.841 8.246 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.475 5.053 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.410 2.458 9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.726 2.589 11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.835 2.974 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.585 3.419 10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.017 0.975 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.782 0.663 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.118 1.686 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.319 1.620 10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.240 -0.335 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.932 -0.775 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.738 -0.711 12.030 1.00 0.00 H new ATOM 691 N ALA A 47 -6.069 5.499 10.875 1.00 0.00 N ATOM 692 CA ALA A 47 -4.641 5.768 10.753 1.00 0.00 C ATOM 693 C ALA A 47 -3.830 4.480 10.851 1.00 0.00 C ATOM 694 O ALA A 47 -3.897 3.768 11.854 1.00 0.00 O ATOM 695 CB ALA A 47 -4.198 6.756 11.822 1.00 0.00 C ATOM 0 H ALA A 47 -6.528 5.993 11.641 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.460 6.206 9.771 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.130 6.948 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.748 7.690 11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.399 6.339 12.809 1.00 0.00 H new ATOM 701 N ILE A 48 -3.065 4.188 9.805 1.00 0.00 N ATOM 702 CA ILE A 48 -2.240 2.986 9.775 1.00 0.00 C ATOM 703 C ILE A 48 -0.944 3.189 10.551 1.00 0.00 C ATOM 704 O ILE A 48 -0.336 4.258 10.496 1.00 0.00 O ATOM 705 CB ILE A 48 -1.901 2.573 8.330 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.183 2.387 7.516 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.074 1.296 8.325 1.00 0.00 C ATOM 708 CD1 ILE A 48 -2.932 2.071 6.058 1.00 0.00 C ATOM 0 H ILE A 48 -2.999 4.766 8.967 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.821 2.192 10.245 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.312 3.366 7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.771 1.582 7.958 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.782 3.295 7.585 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.842 1.017 7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.147 1.461 8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.640 0.494 8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.885 1.952 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.371 2.886 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.359 1.147 5.979 1.00 0.00 H new ATOM 720 N ARG A 49 -0.525 2.155 11.273 1.00 0.00 N ATOM 721 CA ARG A 49 0.700 2.219 12.061 1.00 0.00 C ATOM 722 C ARG A 49 1.800 1.374 11.425 1.00 0.00 C ATOM 723 O ARG A 49 1.691 0.150 11.347 1.00 0.00 O ATOM 724 CB ARG A 49 0.438 1.743 13.491 1.00 0.00 C ATOM 725 CG ARG A 49 0.106 0.263 13.588 1.00 0.00 C ATOM 726 CD ARG A 49 -0.758 -0.035 14.803 1.00 0.00 C ATOM 727 NE ARG A 49 0.040 -0.211 16.013 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.449 -0.686 17.154 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.726 -1.031 17.239 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.341 -0.817 18.212 1.00 0.00 N ATOM 0 H ARG A 49 -1.016 1.263 11.329 1.00 0.00 H new ATOM 0 HA ARG A 49 1.032 3.257 12.087 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.317 1.950 14.101 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.385 2.320 13.912 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.414 -0.055 12.684 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.028 -0.315 13.645 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.467 0.779 14.952 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.342 -0.937 14.620 1.00 0.00 H new ATOM 0 HE ARG A 49 1.027 0.045 15.981 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.336 -0.932 16.428 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.099 -1.395 18.116 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.324 -0.553 18.150 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.035 -1.182 19.087 1.00 0.00 H new ATOM 744 N LYS A 50 2.859 2.035 10.971 1.00 0.00 N ATOM 745 CA LYS A 50 3.980 1.346 10.343 1.00 0.00 C ATOM 746 C LYS A 50 4.351 0.087 11.120 1.00 0.00 C ATOM 747 O LYS A 50 4.859 0.164 12.239 1.00 0.00 O ATOM 748 CB LYS A 50 5.192 2.277 10.252 1.00 0.00 C ATOM 749 CG LYS A 50 6.391 1.650 9.562 1.00 0.00 C ATOM 750 CD LYS A 50 7.503 2.662 9.347 1.00 0.00 C ATOM 751 CE LYS A 50 8.291 2.904 10.626 1.00 0.00 C ATOM 752 NZ LYS A 50 9.242 4.041 10.485 1.00 0.00 N ATOM 0 H LYS A 50 2.965 3.048 11.026 1.00 0.00 H new ATOM 0 HA LYS A 50 3.676 1.055 9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.906 3.181 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.481 2.583 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.764 0.820 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.084 1.236 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.175 2.306 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.078 3.603 8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.601 3.107 11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.841 2.001 10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.759 4.174 11.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.917 3.836 9.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.715 4.908 10.258 1.00 0.00 H new ATOM 766 N SER A 51 4.093 -1.071 10.521 1.00 0.00 N ATOM 767 CA SER A 51 4.397 -2.346 11.158 1.00 0.00 C ATOM 768 C SER A 51 4.699 -3.417 10.115 1.00 0.00 C ATOM 769 O SER A 51 4.463 -3.220 8.923 1.00 0.00 O ATOM 770 CB SER A 51 3.229 -2.791 12.040 1.00 0.00 C ATOM 771 OG SER A 51 3.678 -3.607 13.108 1.00 0.00 O ATOM 0 H SER A 51 3.674 -1.152 9.595 1.00 0.00 H new ATOM 0 HA SER A 51 5.282 -2.211 11.780 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.716 -1.916 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.504 -3.340 11.439 1.00 0.00 H new ATOM 0 HG SER A 51 2.913 -3.877 13.658 1.00 0.00 H new ATOM 777 N GLN A 52 5.221 -4.550 10.572 1.00 0.00 N ATOM 778 CA GLN A 52 5.555 -5.653 9.679 1.00 0.00 C ATOM 779 C GLN A 52 4.540 -5.763 8.546 1.00 0.00 C ATOM 780 O GLN A 52 4.905 -5.961 7.387 1.00 0.00 O ATOM 781 CB GLN A 52 5.614 -6.968 10.457 1.00 0.00 C ATOM 782 CG GLN A 52 4.318 -7.309 11.175 1.00 0.00 C ATOM 783 CD GLN A 52 4.503 -8.368 12.243 1.00 0.00 C ATOM 784 OE1 GLN A 52 5.589 -8.929 12.396 1.00 0.00 O ATOM 785 NE2 GLN A 52 3.442 -8.648 12.990 1.00 0.00 N ATOM 0 H GLN A 52 5.422 -4.729 11.556 1.00 0.00 H new ATOM 0 HA GLN A 52 6.535 -5.452 9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.862 -7.776 9.769 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.421 -6.912 11.188 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.911 -6.406 11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.585 -7.657 10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.561 -8.159 12.829 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.507 -9.352 13.725 1.00 0.00 H new ATOM 794 N LYS A 53 3.263 -5.634 8.889 1.00 0.00 N ATOM 795 CA LYS A 53 2.193 -5.718 7.902 1.00 0.00 C ATOM 796 C LYS A 53 2.274 -4.561 6.912 1.00 0.00 C ATOM 797 O LYS A 53 2.348 -4.772 5.701 1.00 0.00 O ATOM 798 CB LYS A 53 0.829 -5.713 8.597 1.00 0.00 C ATOM 799 CG LYS A 53 -0.330 -5.423 7.659 1.00 0.00 C ATOM 800 CD LYS A 53 -0.500 -6.524 6.625 1.00 0.00 C ATOM 801 CE LYS A 53 -1.274 -7.704 7.189 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.745 -7.525 7.041 1.00 0.00 N ATOM 0 H LYS A 53 2.944 -5.471 9.844 1.00 0.00 H new ATOM 0 HA LYS A 53 2.312 -6.652 7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.668 -6.681 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.838 -4.967 9.392 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.249 -5.319 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.162 -4.472 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.022 -6.129 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.480 -6.859 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.966 -8.617 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.028 -7.829 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.218 -8.447 7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.093 -6.885 7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.953 -7.118 6.107 1.00 0.00 H new ATOM 816 N TYR A 54 2.262 -3.339 7.433 1.00 0.00 N ATOM 817 CA TYR A 54 2.334 -2.149 6.594 1.00 0.00 C ATOM 818 C TYR A 54 3.707 -1.491 6.699 1.00 0.00 C ATOM 819 O TYR A 54 4.046 -0.895 7.721 1.00 0.00 O ATOM 820 CB TYR A 54 1.246 -1.151 6.994 1.00 0.00 C ATOM 821 CG TYR A 54 -0.138 -1.756 7.054 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.714 -2.335 5.930 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.870 -1.751 8.235 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.979 -2.888 5.980 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.135 -2.303 8.295 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.685 -2.870 7.165 1.00 0.00 C ATOM 827 OH TYR A 54 -3.945 -3.421 7.219 1.00 0.00 O ATOM 0 H TYR A 54 2.203 -3.147 8.433 1.00 0.00 H new ATOM 0 HA TYR A 54 2.175 -2.454 5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.492 -0.730 7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.242 -0.326 6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.163 -2.353 5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.442 -1.308 9.122 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.413 -3.332 5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.690 -2.290 9.222 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.305 -3.327 8.126 1.00 0.00 H new ATOM 837 N ASP A 55 4.492 -1.604 5.633 1.00 0.00 N ATOM 838 CA ASP A 55 5.827 -1.019 5.602 1.00 0.00 C ATOM 839 C ASP A 55 5.822 0.308 4.848 1.00 0.00 C ATOM 840 O ASP A 55 5.820 0.334 3.617 1.00 0.00 O ATOM 841 CB ASP A 55 6.816 -1.986 4.950 1.00 0.00 C ATOM 842 CG ASP A 55 6.786 -3.362 5.587 1.00 0.00 C ATOM 843 OD1 ASP A 55 7.396 -3.531 6.663 1.00 0.00 O ATOM 844 OD2 ASP A 55 6.151 -4.269 5.009 1.00 0.00 O ATOM 0 H ASP A 55 4.227 -2.095 4.779 1.00 0.00 H new ATOM 0 HA ASP A 55 6.138 -0.831 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.586 -2.075 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.823 -1.576 5.025 1.00 0.00 H new ATOM 849 N VAL A 56 5.820 1.407 5.595 1.00 0.00 N ATOM 850 CA VAL A 56 5.815 2.737 4.998 1.00 0.00 C ATOM 851 C VAL A 56 7.203 3.118 4.494 1.00 0.00 C ATOM 852 O VAL A 56 8.072 3.511 5.273 1.00 0.00 O ATOM 853 CB VAL A 56 5.336 3.802 6.003 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.315 5.177 5.354 1.00 0.00 C ATOM 855 CG2 VAL A 56 3.962 3.439 6.547 1.00 0.00 C ATOM 0 H VAL A 56 5.822 1.403 6.615 1.00 0.00 H new ATOM 0 HA VAL A 56 5.122 2.704 4.157 1.00 0.00 H new ATOM 0 HB VAL A 56 6.037 3.832 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.974 5.916 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.319 5.435 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.637 5.166 4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.638 4.201 7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.249 3.381 5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.014 2.474 7.051 1.00 0.00 H new ATOM 865 N VAL A 57 7.404 3.000 3.186 1.00 0.00 N ATOM 866 CA VAL A 57 8.686 3.334 2.576 1.00 0.00 C ATOM 867 C VAL A 57 8.720 4.791 2.131 1.00 0.00 C ATOM 868 O VAL A 57 7.713 5.335 1.674 1.00 0.00 O ATOM 869 CB VAL A 57 8.983 2.431 1.364 1.00 0.00 C ATOM 870 CG1 VAL A 57 10.274 2.860 0.683 1.00 0.00 C ATOM 871 CG2 VAL A 57 9.056 0.973 1.792 1.00 0.00 C ATOM 0 H VAL A 57 6.696 2.676 2.528 1.00 0.00 H new ATOM 0 HA VAL A 57 9.450 3.172 3.336 1.00 0.00 H new ATOM 0 HB VAL A 57 8.169 2.535 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.468 2.211 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.180 3.891 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.100 2.786 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.266 0.349 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.850 0.849 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.104 0.675 2.231 1.00 0.00 H new ATOM 914 N THR A 61 10.342 11.589 -3.162 1.00 0.00 N ATOM 915 CA THR A 61 9.096 11.916 -3.842 1.00 0.00 C ATOM 916 C THR A 61 8.356 10.653 -4.270 1.00 0.00 C ATOM 917 O THR A 61 7.588 10.668 -5.232 1.00 0.00 O ATOM 918 CB THR A 61 9.345 12.796 -5.081 1.00 0.00 C ATOM 919 OG1 THR A 61 10.128 12.078 -6.042 1.00 0.00 O ATOM 920 CG2 THR A 61 10.060 14.082 -4.696 1.00 0.00 C ATOM 0 HA THR A 61 8.484 12.470 -3.130 1.00 0.00 H new ATOM 0 HB THR A 61 8.380 13.052 -5.518 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.537 11.688 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.225 14.687 -5.587 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.449 14.640 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.019 13.842 -4.238 1.00 0.00 H new ATOM 928 N MET A 62 8.591 9.562 -3.548 1.00 0.00 N ATOM 929 CA MET A 62 7.944 8.291 -3.853 1.00 0.00 C ATOM 930 C MET A 62 7.631 7.520 -2.575 1.00 0.00 C ATOM 931 O MET A 62 8.524 6.957 -1.944 1.00 0.00 O ATOM 932 CB MET A 62 8.835 7.447 -4.766 1.00 0.00 C ATOM 933 CG MET A 62 8.316 6.035 -4.987 1.00 0.00 C ATOM 934 SD MET A 62 9.640 4.844 -5.265 1.00 0.00 S ATOM 935 CE MET A 62 10.028 4.369 -3.582 1.00 0.00 C ATOM 0 H MET A 62 9.224 9.533 -2.749 1.00 0.00 H new ATOM 0 HA MET A 62 7.007 8.503 -4.367 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.929 7.946 -5.731 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.835 7.394 -4.336 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.732 5.727 -4.120 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.642 6.030 -5.844 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.833 3.634 -3.588 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.344 5.248 -3.019 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.144 3.936 -3.113 1.00 0.00 H new ATOM 945 N ALA A 63 6.356 7.499 -2.199 1.00 0.00 N ATOM 946 CA ALA A 63 5.925 6.796 -0.997 1.00 0.00 C ATOM 947 C ALA A 63 5.295 5.452 -1.344 1.00 0.00 C ATOM 948 O ALA A 63 4.269 5.393 -2.022 1.00 0.00 O ATOM 949 CB ALA A 63 4.947 7.652 -0.207 1.00 0.00 C ATOM 0 H ALA A 63 5.604 7.961 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 63 6.804 6.607 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.634 7.114 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.431 8.585 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.075 7.871 -0.823 1.00 0.00 H new ATOM 955 N MET A 64 5.914 4.374 -0.875 1.00 0.00 N ATOM 956 CA MET A 64 5.412 3.030 -1.136 1.00 0.00 C ATOM 957 C MET A 64 4.930 2.370 0.153 1.00 0.00 C ATOM 958 O MET A 64 5.610 2.419 1.179 1.00 0.00 O ATOM 959 CB MET A 64 6.500 2.173 -1.785 1.00 0.00 C ATOM 960 CG MET A 64 6.006 0.813 -2.251 1.00 0.00 C ATOM 961 SD MET A 64 7.309 -0.180 -3.003 1.00 0.00 S ATOM 962 CE MET A 64 8.273 -0.623 -1.560 1.00 0.00 C ATOM 0 H MET A 64 6.764 4.405 -0.312 1.00 0.00 H new ATOM 0 HA MET A 64 4.567 3.111 -1.820 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.915 2.711 -2.637 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.312 2.031 -1.072 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.587 0.273 -1.402 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.199 0.951 -2.971 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.214 -0.073 -1.568 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.714 -0.373 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.478 -1.693 -1.574 1.00 0.00 H new ATOM 972 N LEU A 65 3.755 1.754 0.092 1.00 0.00 N ATOM 973 CA LEU A 65 3.182 1.084 1.255 1.00 0.00 C ATOM 974 C LEU A 65 3.038 -0.414 1.004 1.00 0.00 C ATOM 975 O LEU A 65 2.119 -0.853 0.313 1.00 0.00 O ATOM 976 CB LEU A 65 1.820 1.689 1.597 1.00 0.00 C ATOM 977 CG LEU A 65 1.075 1.047 2.768 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.761 1.380 4.084 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.377 1.503 2.791 1.00 0.00 C ATOM 0 H LEU A 65 3.180 1.704 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 65 3.858 1.229 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.960 2.747 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.186 1.629 0.712 1.00 0.00 H new ATOM 0 HG LEU A 65 1.093 -0.035 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.217 0.915 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.784 1.003 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.775 2.461 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.892 1.036 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.416 2.587 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.864 1.213 1.860 1.00 0.00 H new ATOM 991 N VAL A 66 3.951 -1.195 1.572 1.00 0.00 N ATOM 992 CA VAL A 66 3.924 -2.644 1.413 1.00 0.00 C ATOM 993 C VAL A 66 2.888 -3.278 2.335 1.00 0.00 C ATOM 994 O VAL A 66 2.700 -2.839 3.469 1.00 0.00 O ATOM 995 CB VAL A 66 5.303 -3.266 1.704 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.367 -4.691 1.176 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.409 -2.415 1.100 1.00 0.00 C ATOM 0 H VAL A 66 4.719 -0.848 2.147 1.00 0.00 H new ATOM 0 HA VAL A 66 3.655 -2.844 0.376 1.00 0.00 H new ATOM 0 HB VAL A 66 5.448 -3.297 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.348 -5.115 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.598 -5.293 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.201 -4.688 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.376 -2.869 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.270 -2.351 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.374 -1.414 1.530 1.00 0.00 H new ATOM 1007 N ILE A 67 2.219 -4.314 1.839 1.00 0.00 N ATOM 1008 CA ILE A 67 1.203 -5.010 2.618 1.00 0.00 C ATOM 1009 C ILE A 67 1.466 -6.512 2.648 1.00 0.00 C ATOM 1010 O ILE A 67 0.855 -7.274 1.899 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.208 -4.758 2.056 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.520 -3.260 2.053 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.245 -5.519 2.868 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.479 -2.845 0.960 1.00 0.00 C ATOM 0 H ILE A 67 2.363 -4.689 0.902 1.00 0.00 H new ATOM 0 HA ILE A 67 1.257 -4.614 3.632 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.243 -5.119 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.941 -2.983 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.410 -2.704 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.237 -5.331 2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.030 -6.587 2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.211 -5.186 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.654 -1.771 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.051 -3.091 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.424 -3.374 1.085 1.00 0.00 H new ATOM 1026 N ARG A 68 2.378 -6.930 3.519 1.00 0.00 N ATOM 1027 CA ARG A 68 2.722 -8.341 3.647 1.00 0.00 C ATOM 1028 C ARG A 68 1.465 -9.200 3.755 1.00 0.00 C ATOM 1029 O ARG A 68 0.520 -8.849 4.461 1.00 0.00 O ATOM 1030 CB ARG A 68 3.610 -8.563 4.873 1.00 0.00 C ATOM 1031 CG ARG A 68 5.068 -8.204 4.641 1.00 0.00 C ATOM 1032 CD ARG A 68 5.769 -9.244 3.781 1.00 0.00 C ATOM 1033 NE ARG A 68 6.261 -10.368 4.573 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.043 -11.324 4.085 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.419 -11.294 2.814 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.450 -12.315 4.869 1.00 0.00 N ATOM 0 H ARG A 68 2.892 -6.312 4.147 1.00 0.00 H new ATOM 0 HA ARG A 68 3.269 -8.638 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.226 -7.969 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.545 -9.609 5.174 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.131 -7.229 4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.580 -8.119 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.079 -9.611 3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.603 -8.778 3.256 1.00 0.00 H new ATOM 0 HE ARG A 68 5.989 -10.422 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.108 -10.535 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.020 -12.030 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.162 -12.343 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.051 -13.049 4.493 1.00 0.00 H new ATOM 1050 N GLY A 69 1.460 -10.326 3.047 1.00 0.00 N ATOM 1051 CA GLY A 69 0.315 -11.216 3.077 1.00 0.00 C ATOM 1052 C GLY A 69 -1.003 -10.466 3.060 1.00 0.00 C ATOM 1053 O GLY A 69 -1.611 -10.243 4.107 1.00 0.00 O ATOM 0 H GLY A 69 2.229 -10.637 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.358 -11.888 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.365 -11.837 3.971 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.444 -10.074 1.870 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.697 -9.345 1.722 1.00 0.00 C ATOM 1059 C ALA A 70 -3.868 -10.301 1.522 1.00 0.00 C ATOM 1060 O ALA A 70 -4.093 -10.800 0.420 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.606 -8.369 0.558 1.00 0.00 C ATOM 0 H ALA A 70 -0.952 -10.249 0.994 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.872 -8.784 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.549 -7.831 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.801 -7.658 0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.403 -8.918 -0.362 1.00 0.00 H new ATOM 1067 N SER A 71 -4.611 -10.552 2.596 1.00 0.00 N ATOM 1068 CA SER A 71 -5.757 -11.452 2.539 1.00 0.00 C ATOM 1069 C SER A 71 -7.010 -10.709 2.085 1.00 0.00 C ATOM 1070 O SER A 71 -6.994 -9.490 1.911 1.00 0.00 O ATOM 1071 CB SER A 71 -5.997 -12.092 3.908 1.00 0.00 C ATOM 1072 OG SER A 71 -5.098 -13.164 4.135 1.00 0.00 O ATOM 0 H SER A 71 -4.440 -10.145 3.515 1.00 0.00 H new ATOM 0 HA SER A 71 -5.538 -12.235 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.878 -11.342 4.690 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.023 -12.455 3.968 1.00 0.00 H new ATOM 0 HG SER A 71 -5.271 -13.555 5.017 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.094 -11.452 1.896 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.357 -10.866 1.462 1.00 0.00 C ATOM 1080 C LEU A 72 -9.763 -9.712 2.373 1.00 0.00 C ATOM 1081 O LEU A 72 -10.426 -8.768 1.940 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.457 -11.929 1.446 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.171 -13.179 0.613 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -10.910 -14.380 1.182 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.558 -12.951 -0.841 1.00 0.00 C ATOM 0 H LEU A 72 -8.124 -12.462 2.036 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.221 -10.478 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.651 -12.238 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.373 -11.470 1.073 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.101 -13.384 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.694 -15.260 0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.584 -14.556 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.983 -14.186 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.348 -13.851 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.622 -12.721 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.982 -12.118 -1.244 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.359 -9.791 3.636 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.676 -8.752 4.608 1.00 0.00 C ATOM 1099 C LYS A 73 -8.887 -7.479 4.322 1.00 0.00 C ATOM 1100 O LYS A 73 -9.414 -6.372 4.433 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.376 -9.243 6.026 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.552 -9.935 6.693 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.871 -11.262 6.024 1.00 0.00 C ATOM 1104 CE LYS A 73 -11.875 -11.090 4.895 1.00 0.00 C ATOM 1105 NZ LYS A 73 -12.201 -12.387 4.240 1.00 0.00 N ATOM 0 H LYS A 73 -8.811 -10.565 4.011 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.739 -8.525 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.532 -9.932 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.070 -8.394 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.327 -10.102 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.427 -9.287 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.954 -11.703 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.269 -11.957 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.788 -10.641 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.473 -10.400 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.552 -12.211 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.346 -12.977 4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.933 -12.880 4.791 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.622 -7.644 3.952 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.760 -6.508 3.646 1.00 0.00 C ATOM 1121 C ASP A 74 -7.416 -5.589 2.620 1.00 0.00 C ATOM 1122 O ASP A 74 -7.262 -4.369 2.677 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.407 -6.992 3.124 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.537 -7.573 4.222 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.966 -8.555 4.863 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.426 -7.045 4.439 1.00 0.00 O ATOM 0 H ASP A 74 -7.170 -8.554 3.857 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.604 -5.944 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.567 -7.746 2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.884 -6.160 2.652 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.146 -6.183 1.682 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.825 -5.419 0.644 1.00 0.00 C ATOM 1133 C ALA A 75 -9.623 -4.266 1.244 1.00 0.00 C ATOM 1134 O ALA A 75 -10.574 -4.480 1.994 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.737 -6.326 -0.169 1.00 0.00 C ATOM 0 H ALA A 75 -8.282 -7.192 1.620 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.067 -4.998 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.238 -5.741 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.145 -7.113 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.483 -6.775 0.487 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.227 -3.041 0.910 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.916 -1.873 1.426 1.00 0.00 C ATOM 1143 C GLY A 76 -9.516 -0.599 0.707 1.00 0.00 C ATOM 1144 O GLY A 76 -8.907 -0.648 -0.361 1.00 0.00 O ATOM 0 H GLY A 76 -8.442 -2.837 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.992 -2.018 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.702 -1.769 2.490 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.861 0.543 1.293 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.536 1.834 0.699 1.00 0.00 C ATOM 1150 C GLU A 77 -8.278 2.423 1.331 1.00 0.00 C ATOM 1151 O GLU A 77 -8.085 2.346 2.545 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.706 2.806 0.865 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.418 4.201 0.336 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.370 5.243 0.890 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.587 5.131 0.635 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -10.897 6.171 1.580 1.00 0.00 O ATOM 0 H GLU A 77 -10.365 0.600 2.178 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.349 1.679 -0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.578 2.404 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.964 2.873 1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.395 4.478 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.486 4.194 -0.752 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.424 3.010 0.499 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.183 3.609 0.975 1.00 0.00 C ATOM 1165 C TYR A 78 -6.135 5.097 0.643 1.00 0.00 C ATOM 1166 O TYR A 78 -5.953 5.483 -0.512 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.979 2.897 0.356 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.824 1.463 0.810 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.101 1.151 1.955 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.400 0.421 0.094 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -3.956 -0.158 2.373 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.262 -0.890 0.506 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.539 -1.175 1.645 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.397 -2.480 2.058 1.00 0.00 O ATOM 0 H TYR A 78 -7.569 3.084 -0.508 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.146 3.496 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.074 2.917 -0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.073 3.449 0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.645 1.945 2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.965 0.640 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.390 -0.384 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.718 -1.688 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.868 -3.073 1.436 1.00 0.00 H new ATOM 1184 N THR A 79 -6.297 5.931 1.666 1.00 0.00 N ATOM 1185 CA THR A 79 -6.273 7.376 1.485 1.00 0.00 C ATOM 1186 C THR A 79 -4.927 7.960 1.901 1.00 0.00 C ATOM 1187 O THR A 79 -4.598 8.001 3.087 1.00 0.00 O ATOM 1188 CB THR A 79 -7.389 8.063 2.295 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.667 7.554 1.896 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.354 9.571 2.095 1.00 0.00 C ATOM 0 H THR A 79 -6.446 5.629 2.629 1.00 0.00 H new ATOM 0 HA THR A 79 -6.436 7.564 0.424 1.00 0.00 H new ATOM 0 HB THR A 79 -7.225 7.849 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.823 6.688 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.151 10.034 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.391 9.960 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.495 9.801 1.039 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.154 8.410 0.919 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.843 8.991 1.184 1.00 0.00 C ATOM 1200 C CYS A 80 -2.954 10.492 1.434 1.00 0.00 C ATOM 1201 O CYS A 80 -2.835 11.295 0.509 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.898 8.726 0.011 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.157 8.595 0.480 1.00 0.00 S ATOM 0 H CYS A 80 -4.412 8.384 -0.067 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.439 8.520 2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.200 7.803 -0.484 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.007 9.529 -0.718 1.00 0.00 H new ATOM 0 HG CYS A 80 0.562 8.368 -0.579 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.184 10.862 2.690 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.314 12.266 3.060 1.00 0.00 C ATOM 1211 C GLU A 81 -1.945 12.933 3.154 1.00 0.00 C ATOM 1212 O GLU A 81 -1.159 12.638 4.055 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.051 12.399 4.395 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.866 13.676 4.515 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.318 13.947 5.937 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.670 12.979 6.643 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.320 15.128 6.343 1.00 0.00 O ATOM 0 H GLU A 81 -3.284 10.209 3.468 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.891 12.768 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.713 11.542 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.324 12.364 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.271 14.517 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.740 13.608 3.867 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.665 13.833 2.217 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.392 14.543 2.193 1.00 0.00 C ATOM 1226 C VAL A 82 -0.527 15.935 2.799 1.00 0.00 C ATOM 1227 O VAL A 82 -1.609 16.332 3.231 1.00 0.00 O ATOM 1228 CB VAL A 82 0.154 14.669 0.759 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.484 15.853 0.048 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.669 14.799 0.775 1.00 0.00 C ATOM 0 H VAL A 82 -2.304 14.088 1.464 1.00 0.00 H new ATOM 0 HA VAL A 82 0.308 13.957 2.789 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.103 13.764 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.086 15.927 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.564 15.712 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.259 16.769 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.037 14.887 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.952 15.687 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.105 13.916 1.243 1.00 0.00 H new ATOM 1240 N GLU A 83 0.578 16.673 2.826 1.00 0.00 N ATOM 1241 CA GLU A 83 0.582 18.022 3.379 1.00 0.00 C ATOM 1242 C GLU A 83 -0.755 18.715 3.132 1.00 0.00 C ATOM 1243 O GLU A 83 -1.446 19.107 4.072 1.00 0.00 O ATOM 1244 CB GLU A 83 1.717 18.846 2.765 1.00 0.00 C ATOM 1245 CG GLU A 83 1.924 18.586 1.283 1.00 0.00 C ATOM 1246 CD GLU A 83 1.248 19.625 0.409 1.00 0.00 C ATOM 1247 OE1 GLU A 83 1.573 20.823 0.554 1.00 0.00 O ATOM 1248 OE2 GLU A 83 0.396 19.242 -0.419 1.00 0.00 O ATOM 0 H GLU A 83 1.482 16.360 2.472 1.00 0.00 H new ATOM 0 HA GLU A 83 0.739 17.945 4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.507 19.905 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.643 18.627 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.992 18.573 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.536 17.598 1.033 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.112 18.864 1.860 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.366 19.508 1.489 1.00 0.00 C ATOM 1257 C ALA A 84 -3.201 18.605 0.588 1.00 0.00 C ATOM 1258 O ALA A 84 -4.417 18.503 0.751 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.092 20.837 0.800 1.00 0.00 C ATOM 0 H ALA A 84 -0.550 18.547 1.070 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.935 19.694 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.037 21.308 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.542 21.491 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.500 20.665 -0.099 1.00 0.00 H new ATOM 1265 N SER A 85 -2.541 17.951 -0.363 1.00 0.00 N ATOM 1266 CA SER A 85 -3.224 17.059 -1.293 1.00 0.00 C ATOM 1267 C SER A 85 -3.587 15.742 -0.614 1.00 0.00 C ATOM 1268 O SER A 85 -3.324 15.547 0.573 1.00 0.00 O ATOM 1269 CB SER A 85 -2.344 16.791 -2.515 1.00 0.00 C ATOM 1270 OG SER A 85 -2.640 17.696 -3.565 1.00 0.00 O ATOM 0 H SER A 85 -1.534 18.022 -0.510 1.00 0.00 H new ATOM 0 HA SER A 85 -4.144 17.546 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.294 16.882 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.496 15.768 -2.859 1.00 0.00 H new ATOM 0 HG SER A 85 -2.318 17.328 -4.414 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.194 14.839 -1.377 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.593 13.538 -0.853 1.00 0.00 C ATOM 1278 C LYS A 86 -5.159 12.655 -1.961 1.00 0.00 C ATOM 1279 O LYS A 86 -5.822 13.141 -2.877 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.633 13.710 0.257 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.514 12.489 0.459 1.00 0.00 C ATOM 1282 CD LYS A 86 -7.685 12.793 1.378 1.00 0.00 C ATOM 1283 CE LYS A 86 -8.896 13.279 0.596 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.632 12.153 -0.041 1.00 0.00 N ATOM 0 H LYS A 86 -4.420 14.984 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.708 13.053 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.120 13.937 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.263 14.568 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.887 12.145 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.921 11.677 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.949 11.898 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.392 13.551 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.567 13.820 1.264 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.574 13.983 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.450 12.525 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.000 11.652 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.961 11.494 0.693 1.00 0.00 H new ATOM 1298 N SER A 87 -4.893 11.356 -1.870 1.00 0.00 N ATOM 1299 CA SER A 87 -5.374 10.406 -2.867 1.00 0.00 C ATOM 1300 C SER A 87 -6.328 9.395 -2.238 1.00 0.00 C ATOM 1301 O SER A 87 -6.589 9.434 -1.035 1.00 0.00 O ATOM 1302 CB SER A 87 -4.196 9.677 -3.517 1.00 0.00 C ATOM 1303 OG SER A 87 -4.648 8.648 -4.380 1.00 0.00 O ATOM 0 H SER A 87 -4.347 10.937 -1.117 1.00 0.00 H new ATOM 0 HA SER A 87 -5.915 10.962 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.590 10.387 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.555 9.253 -2.744 1.00 0.00 H new ATOM 0 HG SER A 87 -4.772 9.009 -5.283 1.00 0.00 H new ATOM 1309 N THR A 88 -6.847 8.489 -3.061 1.00 0.00 N ATOM 1310 CA THR A 88 -7.773 7.468 -2.587 1.00 0.00 C ATOM 1311 C THR A 88 -7.894 6.328 -3.591 1.00 0.00 C ATOM 1312 O THR A 88 -8.136 6.555 -4.776 1.00 0.00 O ATOM 1313 CB THR A 88 -9.172 8.057 -2.325 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.081 9.137 -1.389 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.115 6.991 -1.786 1.00 0.00 C ATOM 0 H THR A 88 -6.642 8.442 -4.059 1.00 0.00 H new ATOM 0 HA THR A 88 -7.368 7.083 -1.651 1.00 0.00 H new ATOM 0 HB THR A 88 -9.569 8.428 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.223 9.090 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.097 7.430 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.205 6.183 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.720 6.595 -0.850 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.726 5.101 -3.110 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.819 3.924 -3.965 1.00 0.00 C ATOM 1325 C ALA A 89 -8.535 2.782 -3.252 1.00 0.00 C ATOM 1326 O ALA A 89 -8.988 2.933 -2.117 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.433 3.484 -4.411 1.00 0.00 C ATOM 0 H ALA A 89 -7.524 4.896 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.404 4.191 -4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.518 2.604 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.957 4.291 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.829 3.241 -3.536 1.00 0.00 H new ATOM 1333 N SER A 90 -8.635 1.641 -3.925 1.00 0.00 N ATOM 1334 CA SER A 90 -9.300 0.474 -3.357 1.00 0.00 C ATOM 1335 C SER A 90 -8.611 -0.813 -3.799 1.00 0.00 C ATOM 1336 O SER A 90 -8.550 -1.123 -4.989 1.00 0.00 O ATOM 1337 CB SER A 90 -10.772 0.446 -3.774 1.00 0.00 C ATOM 1338 OG SER A 90 -11.496 1.498 -3.159 1.00 0.00 O ATOM 0 H SER A 90 -8.264 1.499 -4.865 1.00 0.00 H new ATOM 0 HA SER A 90 -9.238 0.545 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.848 0.533 -4.858 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.213 -0.512 -3.499 1.00 0.00 H new ATOM 0 HG SER A 90 -12.433 1.460 -3.443 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.091 -1.560 -2.831 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.405 -2.815 -3.117 1.00 0.00 C ATOM 1346 C LEU A 91 -8.406 -3.946 -3.334 1.00 0.00 C ATOM 1347 O LEU A 91 -9.455 -3.992 -2.691 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.454 -3.172 -1.974 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.019 -4.636 -1.894 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.110 -4.987 -3.062 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.323 -4.915 -0.570 1.00 0.00 C ATOM 0 H LEU A 91 -8.132 -1.318 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.829 -2.684 -4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.561 -2.553 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.933 -2.904 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.909 -5.263 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.810 -6.032 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.644 -4.827 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.224 -4.353 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.021 -5.962 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.442 -4.279 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.007 -4.704 0.252 1.00 0.00 H new ATOM 1363 N HIS A 92 -8.073 -4.859 -4.241 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.941 -5.992 -4.540 1.00 0.00 C ATOM 1365 C HIS A 92 -8.175 -7.307 -4.430 1.00 0.00 C ATOM 1366 O HIS A 92 -7.144 -7.493 -5.076 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.535 -5.850 -5.942 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.246 -4.551 -6.162 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.553 -4.333 -5.780 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.824 -3.396 -6.729 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.904 -3.101 -6.103 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.873 -2.511 -6.679 1.00 0.00 N ATOM 0 H HIS A 92 -7.208 -4.836 -4.782 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.750 -6.001 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.736 -5.947 -6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.231 -6.670 -6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.845 -3.206 -7.143 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.870 -2.653 -5.926 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.858 -1.553 -7.030 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.686 -8.216 -3.605 1.00 0.00 N ATOM 1382 CA VAL A 93 -8.051 -9.514 -3.410 1.00 0.00 C ATOM 1383 C VAL A 93 -9.032 -10.651 -3.675 1.00 0.00 C ATOM 1384 O VAL A 93 -10.008 -10.823 -2.946 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.490 -9.656 -1.983 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -6.875 -11.033 -1.785 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.472 -8.562 -1.700 1.00 0.00 C ATOM 0 H VAL A 93 -9.538 -8.077 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.229 -9.574 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.312 -9.547 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.484 -11.114 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.636 -11.797 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.064 -11.175 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.086 -8.678 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.650 -8.636 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.949 -7.587 -1.797 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.763 -11.425 -4.722 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.623 -12.546 -5.082 1.00 0.00 C ATOM 1399 C GLU A 94 -8.893 -13.873 -4.897 1.00 0.00 C ATOM 1400 O GLU A 94 -7.765 -14.042 -5.359 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.097 -12.409 -6.530 1.00 0.00 C ATOM 1402 CG GLU A 94 -10.881 -11.135 -6.797 1.00 0.00 C ATOM 1403 CD GLU A 94 -11.523 -11.121 -8.170 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.209 -12.107 -8.514 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -11.339 -10.126 -8.902 1.00 0.00 O ATOM 0 H GLU A 94 -7.958 -11.296 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.490 -12.533 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.231 -12.438 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.719 -13.268 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.655 -11.023 -6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.215 -10.277 -6.703 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.545 -14.812 -4.219 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.957 -16.123 -3.972 1.00 0.00 C ATOM 1414 C GLU A 95 -9.026 -16.994 -5.223 1.00 0.00 C ATOM 1415 O GLU A 95 -9.927 -16.846 -6.048 1.00 0.00 O ATOM 1416 CB GLU A 95 -9.675 -16.819 -2.813 1.00 0.00 C ATOM 1417 CG GLU A 95 -8.990 -18.094 -2.350 1.00 0.00 C ATOM 1418 CD GLU A 95 -9.608 -18.663 -1.088 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -10.672 -19.310 -1.188 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -9.027 -18.462 -0.001 1.00 0.00 O ATOM 0 H GLU A 95 -10.480 -14.689 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.910 -15.979 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.745 -16.128 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -10.695 -17.054 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.043 -18.839 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.934 -17.891 -2.173 1.00 0.00 H new