USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 71 ASN : amide:sc= -0.381 K(o=-0.19,f=-2.3!) USER MOD Set 1.2: A 79 TYR OH : rot 60:sc= 0.192 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 GLN : amide:sc= 0 X(o=0,f=-0.0005) USER MOD Single : A 8 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.18) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 150:sc= -0.576! USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= -1.15 (180deg=-1.31) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 169:sc= -1.04 (180deg=-1.64) USER MOD Single : A 34 THR OG1 : rot 180:sc=-0.00306 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 0.00576 (180deg=0) USER MOD Single : A 43 SER OG : rot 59:sc= 1.17 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc=-0.00492 (180deg=-0.132) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -10:sc= -0.552 USER MOD Single : A 57 TYR OH : rot -88:sc= 1.23 USER MOD Single : A 59 SER OG : rot 18:sc= -0.625 USER MOD Single : A 60 SER OG : rot 180:sc= -0.181 USER MOD Single : A 61 LYS NZ :NH3+ -108:sc= -0.0934 (180deg=-1.51!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.36 K(o=-2.4,f=-9.5!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.15) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.149 4.953 -13.301 1.00 0.00 N ATOM 67 CA GLN A 8 0.843 3.703 -13.584 1.00 0.00 C ATOM 68 C GLN A 8 0.822 2.781 -12.369 1.00 0.00 C ATOM 69 O GLN A 8 0.924 3.237 -11.229 1.00 0.00 O ATOM 70 CB GLN A 8 2.288 3.981 -14.003 1.00 0.00 C ATOM 71 CG GLN A 8 3.137 4.583 -12.895 1.00 0.00 C ATOM 72 CD GLN A 8 4.624 4.458 -13.166 1.00 0.00 C ATOM 73 OE1 GLN A 8 5.061 4.488 -14.317 1.00 0.00 O ATOM 74 NE2 GLN A 8 5.409 4.317 -12.105 1.00 0.00 N ATOM 0 HA GLN A 8 0.324 3.206 -14.403 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.747 3.050 -14.336 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.286 4.658 -14.857 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.880 5.636 -12.777 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.901 4.090 -11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.003 4.297 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.418 4.228 -12.225 1.00 0.00 H new ATOM 83 N LEU A 9 0.689 1.483 -12.619 1.00 0.00 N ATOM 84 CA LEU A 9 0.654 0.497 -11.545 1.00 0.00 C ATOM 85 C LEU A 9 2.043 0.292 -10.949 1.00 0.00 C ATOM 86 O LEU A 9 3.025 0.133 -11.675 1.00 0.00 O ATOM 87 CB LEU A 9 0.108 -0.834 -12.066 1.00 0.00 C ATOM 88 CG LEU A 9 -1.407 -1.021 -11.971 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.083 -0.560 -13.253 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.747 -2.475 -11.680 1.00 0.00 C ATOM 0 H LEU A 9 0.604 1.089 -13.556 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.005 0.872 -10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.402 -0.941 -13.110 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.589 -1.642 -11.515 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.779 -0.410 -11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.160 -0.701 -13.167 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.867 0.495 -13.419 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.707 -1.144 -14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.829 -2.590 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.362 -3.106 -12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.294 -2.772 -10.734 1.00 0.00 H new ATOM 102 N LEU A 10 2.118 0.293 -9.623 1.00 0.00 N ATOM 103 CA LEU A 10 3.386 0.104 -8.928 1.00 0.00 C ATOM 104 C LEU A 10 3.427 -1.250 -8.227 1.00 0.00 C ATOM 105 O LEU A 10 2.518 -1.600 -7.474 1.00 0.00 O ATOM 106 CB LEU A 10 3.604 1.225 -7.910 1.00 0.00 C ATOM 107 CG LEU A 10 2.960 2.571 -8.245 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.296 3.603 -7.180 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.411 3.051 -9.617 1.00 0.00 C ATOM 0 H LEU A 10 1.315 0.423 -9.007 1.00 0.00 H new ATOM 0 HA LEU A 10 4.185 0.133 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.221 0.892 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.677 1.378 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 10 1.878 2.440 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.829 4.554 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.923 3.263 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.377 3.732 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.943 4.010 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.495 3.166 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.119 2.321 -10.372 1.00 0.00 H new ATOM 121 N THR A 11 4.490 -2.008 -8.477 1.00 0.00 N ATOM 122 CA THR A 11 4.651 -3.323 -7.870 1.00 0.00 C ATOM 123 C THR A 11 5.308 -3.219 -6.498 1.00 0.00 C ATOM 124 O THR A 11 6.525 -3.062 -6.392 1.00 0.00 O ATOM 125 CB THR A 11 5.494 -4.254 -8.761 1.00 0.00 C ATOM 126 OG1 THR A 11 4.974 -4.259 -10.095 1.00 0.00 O ATOM 127 CG2 THR A 11 5.501 -5.672 -8.209 1.00 0.00 C ATOM 0 H THR A 11 5.253 -1.733 -9.096 1.00 0.00 H new ATOM 0 HA THR A 11 3.652 -3.744 -7.760 1.00 0.00 H new ATOM 0 HB THR A 11 6.518 -3.880 -8.772 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.517 -4.852 -10.655 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.103 -6.311 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.925 -5.669 -7.205 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.480 -6.053 -8.171 1.00 0.00 H new ATOM 135 N LEU A 12 4.497 -3.307 -5.450 1.00 0.00 N ATOM 136 CA LEU A 12 5.000 -3.223 -4.084 1.00 0.00 C ATOM 137 C LEU A 12 4.715 -4.512 -3.318 1.00 0.00 C ATOM 138 O LEU A 12 4.005 -5.392 -3.805 1.00 0.00 O ATOM 139 CB LEU A 12 4.367 -2.035 -3.358 1.00 0.00 C ATOM 140 CG LEU A 12 4.391 -0.701 -4.106 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.304 0.224 -3.582 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.759 -0.045 -3.983 1.00 0.00 C ATOM 0 H LEU A 12 3.488 -3.437 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 12 6.080 -3.080 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.330 -2.283 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.878 -1.903 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 12 4.197 -0.894 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.336 1.168 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.329 -0.243 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.466 0.411 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.758 0.903 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.983 0.135 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.517 -0.702 -4.408 1.00 0.00 H new ATOM 154 N LYS A 13 5.271 -4.615 -2.116 1.00 0.00 N ATOM 155 CA LYS A 13 5.074 -5.793 -1.280 1.00 0.00 C ATOM 156 C LYS A 13 4.413 -5.418 0.042 1.00 0.00 C ATOM 157 O LYS A 13 4.921 -4.578 0.784 1.00 0.00 O ATOM 158 CB LYS A 13 6.413 -6.485 -1.015 1.00 0.00 C ATOM 159 CG LYS A 13 6.891 -7.348 -2.170 1.00 0.00 C ATOM 160 CD LYS A 13 8.241 -7.979 -1.873 1.00 0.00 C ATOM 161 CE LYS A 13 9.357 -6.945 -1.894 1.00 0.00 C ATOM 162 NZ LYS A 13 10.703 -7.580 -1.852 1.00 0.00 N ATOM 0 H LYS A 13 5.862 -3.896 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 13 4.416 -6.480 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.168 -5.728 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.322 -7.105 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.158 -8.130 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.962 -6.742 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.211 -8.463 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.450 -8.756 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.271 -6.336 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.246 -6.273 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.436 -6.842 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.795 -8.141 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.820 -8.201 -2.678 1.00 0.00 H new ATOM 176 N ILE A 14 3.278 -6.047 0.330 1.00 0.00 N ATOM 177 CA ILE A 14 2.550 -5.781 1.564 1.00 0.00 C ATOM 178 C ILE A 14 3.026 -6.692 2.691 1.00 0.00 C ATOM 179 O ILE A 14 2.999 -7.916 2.568 1.00 0.00 O ATOM 180 CB ILE A 14 1.033 -5.967 1.374 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.483 -4.908 0.417 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.319 -5.899 2.716 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.638 -5.274 -1.042 1.00 0.00 C ATOM 0 H ILE A 14 2.843 -6.744 -0.275 1.00 0.00 H new ATOM 0 HA ILE A 14 2.750 -4.743 1.831 1.00 0.00 H new ATOM 0 HB ILE A 14 0.854 -6.950 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.573 -4.748 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.993 -3.963 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.752 -6.032 2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.694 -6.687 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.503 -4.929 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.226 -4.478 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.695 -5.405 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.104 -6.203 -1.243 1.00 0.00 H new ATOM 195 N LYS A 15 3.459 -6.086 3.791 1.00 0.00 N ATOM 196 CA LYS A 15 3.938 -6.841 4.943 1.00 0.00 C ATOM 197 C LYS A 15 3.452 -6.214 6.245 1.00 0.00 C ATOM 198 O LYS A 15 3.934 -5.157 6.655 1.00 0.00 O ATOM 199 CB LYS A 15 5.467 -6.905 4.936 1.00 0.00 C ATOM 200 CG LYS A 15 6.053 -7.595 6.157 1.00 0.00 C ATOM 201 CD LYS A 15 7.535 -7.296 6.309 1.00 0.00 C ATOM 202 CE LYS A 15 7.768 -5.894 6.852 1.00 0.00 C ATOM 203 NZ LYS A 15 7.675 -5.853 8.338 1.00 0.00 N ATOM 0 H LYS A 15 3.488 -5.073 3.909 1.00 0.00 H new ATOM 0 HA LYS A 15 3.537 -7.852 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.796 -7.430 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.864 -5.892 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.521 -7.268 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.905 -8.672 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.988 -8.027 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.029 -7.400 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.751 -5.542 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.034 -5.212 6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.840 -4.881 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.728 -6.165 8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.392 -6.485 8.748 1.00 0.00 H new ATOM 217 N CYS A 16 2.496 -6.871 6.892 1.00 0.00 N ATOM 218 CA CYS A 16 1.945 -6.378 8.149 1.00 0.00 C ATOM 219 C CYS A 16 3.029 -6.282 9.218 1.00 0.00 C ATOM 220 O CYS A 16 3.564 -7.296 9.666 1.00 0.00 O ATOM 221 CB CYS A 16 0.817 -7.293 8.630 1.00 0.00 C ATOM 222 SG CYS A 16 -0.444 -6.455 9.617 1.00 0.00 S ATOM 0 H CYS A 16 2.086 -7.747 6.567 1.00 0.00 H new ATOM 0 HA CYS A 16 1.544 -5.380 7.974 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.340 -7.750 7.763 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.247 -8.102 9.221 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.590 -7.046 9.449 1.00 0.00 H new ATOM 340 N ILE A 24 4.617 -12.592 2.580 1.00 0.00 N ATOM 341 CA ILE A 24 4.298 -11.328 1.928 1.00 0.00 C ATOM 342 C ILE A 24 3.599 -11.559 0.592 1.00 0.00 C ATOM 343 O ILE A 24 3.919 -12.501 -0.134 1.00 0.00 O ATOM 344 CB ILE A 24 5.562 -10.481 1.693 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.308 -10.262 3.011 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.196 -9.148 1.058 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.697 -9.690 2.832 1.00 0.00 C ATOM 0 HA ILE A 24 3.628 -10.788 2.597 1.00 0.00 H new ATOM 0 HB ILE A 24 6.220 -11.018 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.726 -9.590 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.381 -11.212 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.100 -8.561 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.704 -9.324 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.522 -8.603 1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.166 -9.561 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.296 -10.372 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.631 -8.724 2.331 1.00 0.00 H new ATOM 359 N LEU A 25 2.644 -10.693 0.273 1.00 0.00 N ATOM 360 CA LEU A 25 1.900 -10.800 -0.977 1.00 0.00 C ATOM 361 C LEU A 25 2.360 -9.744 -1.977 1.00 0.00 C ATOM 362 O LEU A 25 3.104 -8.829 -1.628 1.00 0.00 O ATOM 363 CB LEU A 25 0.400 -10.652 -0.715 1.00 0.00 C ATOM 364 CG LEU A 25 -0.090 -11.113 0.658 1.00 0.00 C ATOM 365 CD1 LEU A 25 0.657 -12.362 1.100 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.072 -10.001 1.683 1.00 0.00 C ATOM 0 H LEU A 25 2.366 -9.909 0.863 1.00 0.00 H new ATOM 0 HA LEU A 25 2.093 -11.785 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.131 -9.603 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.139 -11.213 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.150 -11.357 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.295 -12.675 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.489 -13.161 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.724 -12.146 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.282 -10.347 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.124 -9.725 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.510 -9.133 1.373 1.00 0.00 H new ATOM 378 N GLU A 26 1.910 -9.879 -3.221 1.00 0.00 N ATOM 379 CA GLU A 26 2.274 -8.935 -4.270 1.00 0.00 C ATOM 380 C GLU A 26 1.030 -8.340 -4.924 1.00 0.00 C ATOM 381 O GLU A 26 0.263 -9.045 -5.581 1.00 0.00 O ATOM 382 CB GLU A 26 3.140 -9.623 -5.328 1.00 0.00 C ATOM 383 CG GLU A 26 4.127 -8.690 -6.009 1.00 0.00 C ATOM 384 CD GLU A 26 4.473 -9.134 -7.417 1.00 0.00 C ATOM 385 OE1 GLU A 26 3.626 -8.966 -8.318 1.00 0.00 O ATOM 386 OE2 GLU A 26 5.593 -9.649 -7.617 1.00 0.00 O ATOM 0 H GLU A 26 1.294 -10.632 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 26 2.844 -8.126 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.689 -10.440 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.492 -10.066 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.707 -7.685 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.039 -8.635 -5.415 1.00 0.00 H new ATOM 393 N LYS A 27 0.837 -7.039 -4.739 1.00 0.00 N ATOM 394 CA LYS A 27 -0.313 -6.347 -5.310 1.00 0.00 C ATOM 395 C LYS A 27 0.127 -5.112 -6.090 1.00 0.00 C ATOM 396 O LYS A 27 0.935 -4.319 -5.608 1.00 0.00 O ATOM 397 CB LYS A 27 -1.292 -5.944 -4.205 1.00 0.00 C ATOM 398 CG LYS A 27 -2.497 -5.172 -4.713 1.00 0.00 C ATOM 399 CD LYS A 27 -3.650 -6.100 -5.057 1.00 0.00 C ATOM 400 CE LYS A 27 -3.591 -6.546 -6.510 1.00 0.00 C ATOM 401 NZ LYS A 27 -3.605 -5.388 -7.447 1.00 0.00 N ATOM 0 H LYS A 27 1.462 -6.442 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.812 -7.030 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.636 -6.841 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.766 -5.337 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.818 -4.457 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.216 -4.597 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.622 -6.974 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.596 -5.592 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.688 -7.134 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.438 -7.197 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.615 -5.735 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.454 -4.812 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.756 -4.807 -7.294 1.00 0.00 H new ATOM 415 N GLN A 28 -0.411 -4.956 -7.296 1.00 0.00 N ATOM 416 CA GLN A 28 -0.073 -3.817 -8.141 1.00 0.00 C ATOM 417 C GLN A 28 -1.225 -2.820 -8.196 1.00 0.00 C ATOM 418 O GLN A 28 -2.337 -3.161 -8.603 1.00 0.00 O ATOM 419 CB GLN A 28 0.277 -4.289 -9.553 1.00 0.00 C ATOM 420 CG GLN A 28 1.697 -4.817 -9.684 1.00 0.00 C ATOM 421 CD GLN A 28 2.106 -5.038 -11.126 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.576 -4.119 -11.798 1.00 0.00 O ATOM 423 NE2 GLN A 28 1.930 -6.262 -11.611 1.00 0.00 N ATOM 0 H GLN A 28 -1.082 -5.604 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 28 0.794 -3.319 -7.707 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.421 -5.072 -9.849 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.141 -3.461 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.387 -4.113 -9.218 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.783 -5.756 -9.138 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.537 -6.994 -11.019 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.188 -6.470 -12.576 1.00 0.00 H new ATOM 432 N LEU A 29 -0.954 -1.586 -7.784 1.00 0.00 N ATOM 433 CA LEU A 29 -1.969 -0.538 -7.786 1.00 0.00 C ATOM 434 C LEU A 29 -1.450 0.720 -8.475 1.00 0.00 C ATOM 435 O LEU A 29 -0.279 1.083 -8.360 1.00 0.00 O ATOM 436 CB LEU A 29 -2.396 -0.211 -6.354 1.00 0.00 C ATOM 437 CG LEU A 29 -2.740 -1.408 -5.467 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.726 -2.328 -6.170 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.479 -2.168 -5.083 1.00 0.00 C ATOM 0 H LEU A 29 -0.040 -1.287 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.833 -0.904 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.594 0.351 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.265 0.446 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.208 -1.037 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.959 -3.174 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.641 -1.779 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.286 -2.691 -7.099 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.743 -3.016 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.982 -2.527 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.807 -1.506 -4.538 1.00 0.00 H new ATOM 451 N PRO A 30 -2.342 1.405 -9.206 1.00 0.00 N ATOM 452 CA PRO A 30 -1.998 2.636 -9.925 1.00 0.00 C ATOM 453 C PRO A 30 -1.729 3.803 -8.981 1.00 0.00 C ATOM 454 O PRO A 30 -2.582 4.168 -8.171 1.00 0.00 O ATOM 455 CB PRO A 30 -3.241 2.910 -10.774 1.00 0.00 C ATOM 456 CG PRO A 30 -4.355 2.246 -10.040 1.00 0.00 C ATOM 457 CD PRO A 30 -3.754 1.032 -9.387 1.00 0.00 C ATOM 0 HA PRO A 30 -1.083 2.526 -10.508 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.420 3.980 -10.881 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.131 2.503 -11.779 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.787 2.916 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.159 1.966 -10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.236 0.808 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.858 0.146 -10.013 1.00 0.00 H new ATOM 465 N ASP A 31 -0.539 4.384 -9.090 1.00 0.00 N ATOM 466 CA ASP A 31 -0.159 5.512 -8.247 1.00 0.00 C ATOM 467 C ASP A 31 -1.333 6.466 -8.054 1.00 0.00 C ATOM 468 O ASP A 31 -1.407 7.181 -7.054 1.00 0.00 O ATOM 469 CB ASP A 31 1.026 6.258 -8.862 1.00 0.00 C ATOM 470 CG ASP A 31 0.848 6.505 -10.347 1.00 0.00 C ATOM 471 OD1 ASP A 31 0.110 7.445 -10.708 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.446 5.757 -11.148 1.00 0.00 O ATOM 0 H ASP A 31 0.179 4.093 -9.754 1.00 0.00 H new ATOM 0 HA ASP A 31 0.133 5.123 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.155 7.212 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.938 5.683 -8.699 1.00 0.00 H new ATOM 477 N SER A 32 -2.248 6.473 -9.018 1.00 0.00 N ATOM 478 CA SER A 32 -3.417 7.344 -8.956 1.00 0.00 C ATOM 479 C SER A 32 -4.323 6.955 -7.792 1.00 0.00 C ATOM 480 O SER A 32 -4.795 7.812 -7.046 1.00 0.00 O ATOM 481 CB SER A 32 -4.198 7.278 -10.270 1.00 0.00 C ATOM 482 OG SER A 32 -5.260 8.216 -10.280 1.00 0.00 O ATOM 0 H SER A 32 -2.203 5.886 -9.851 1.00 0.00 H new ATOM 0 HA SER A 32 -3.071 8.365 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.527 7.475 -11.106 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.595 6.273 -10.410 1.00 0.00 H new ATOM 0 HG SER A 32 -5.742 8.155 -11.131 1.00 0.00 H new ATOM 488 N MET A 33 -4.562 5.656 -7.645 1.00 0.00 N ATOM 489 CA MET A 33 -5.411 5.152 -6.571 1.00 0.00 C ATOM 490 C MET A 33 -5.138 5.897 -5.268 1.00 0.00 C ATOM 491 O MET A 33 -3.989 6.023 -4.841 1.00 0.00 O ATOM 492 CB MET A 33 -5.183 3.653 -6.373 1.00 0.00 C ATOM 493 CG MET A 33 -6.385 2.927 -5.791 1.00 0.00 C ATOM 494 SD MET A 33 -6.500 1.216 -6.348 1.00 0.00 S ATOM 495 CE MET A 33 -5.811 0.354 -4.937 1.00 0.00 C ATOM 0 H MET A 33 -4.180 4.933 -8.255 1.00 0.00 H new ATOM 0 HA MET A 33 -6.450 5.319 -6.854 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.927 3.203 -7.332 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.327 3.508 -5.714 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.325 2.947 -4.703 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.295 3.458 -6.070 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.990 -0.716 -5.041 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.738 0.539 -4.886 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.285 0.714 -4.024 1.00 0.00 H new ATOM 505 N THR A 34 -6.201 6.388 -4.639 1.00 0.00 N ATOM 506 CA THR A 34 -6.075 7.121 -3.385 1.00 0.00 C ATOM 507 C THR A 34 -5.778 6.179 -2.224 1.00 0.00 C ATOM 508 O THR A 34 -6.352 5.093 -2.130 1.00 0.00 O ATOM 509 CB THR A 34 -7.355 7.918 -3.070 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.500 7.062 -3.161 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.514 9.089 -4.028 1.00 0.00 C ATOM 0 H THR A 34 -7.158 6.292 -4.977 1.00 0.00 H new ATOM 0 HA THR A 34 -5.244 7.815 -3.507 1.00 0.00 H new ATOM 0 HB THR A 34 -7.273 8.308 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.309 7.576 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.425 9.636 -3.786 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.655 9.754 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.576 8.717 -5.051 1.00 0.00 H new ATOM 519 N VAL A 35 -4.879 6.600 -1.341 1.00 0.00 N ATOM 520 CA VAL A 35 -4.507 5.794 -0.185 1.00 0.00 C ATOM 521 C VAL A 35 -5.735 5.171 0.469 1.00 0.00 C ATOM 522 O VAL A 35 -5.665 4.076 1.026 1.00 0.00 O ATOM 523 CB VAL A 35 -3.750 6.631 0.863 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.712 5.906 2.200 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.343 6.946 0.378 1.00 0.00 C ATOM 0 H VAL A 35 -4.394 7.495 -1.404 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.852 5.003 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.281 7.573 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.173 6.513 2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.730 5.737 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.206 4.948 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.823 7.538 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.800 6.016 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.397 7.510 -0.553 1.00 0.00 H new ATOM 535 N GLN A 36 -6.859 5.876 0.396 1.00 0.00 N ATOM 536 CA GLN A 36 -8.104 5.391 0.981 1.00 0.00 C ATOM 537 C GLN A 36 -8.553 4.097 0.311 1.00 0.00 C ATOM 538 O GLN A 36 -8.930 3.136 0.982 1.00 0.00 O ATOM 539 CB GLN A 36 -9.199 6.452 0.853 1.00 0.00 C ATOM 540 CG GLN A 36 -10.242 6.386 1.957 1.00 0.00 C ATOM 541 CD GLN A 36 -11.208 7.553 1.918 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.061 7.638 1.034 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.080 8.460 2.878 1.00 0.00 N ATOM 0 H GLN A 36 -6.934 6.784 -0.062 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.925 5.188 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.738 7.440 0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.694 6.336 -0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.800 5.454 1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.741 6.367 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.359 8.350 3.591 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.703 9.267 2.903 1.00 0.00 H new ATOM 552 N LYS A 37 -8.510 4.078 -1.017 1.00 0.00 N ATOM 553 CA LYS A 37 -8.911 2.902 -1.779 1.00 0.00 C ATOM 554 C LYS A 37 -8.072 1.689 -1.390 1.00 0.00 C ATOM 555 O LYS A 37 -8.605 0.609 -1.132 1.00 0.00 O ATOM 556 CB LYS A 37 -8.775 3.170 -3.280 1.00 0.00 C ATOM 557 CG LYS A 37 -9.745 4.215 -3.802 1.00 0.00 C ATOM 558 CD LYS A 37 -11.058 3.588 -4.239 1.00 0.00 C ATOM 559 CE LYS A 37 -10.918 2.876 -5.576 1.00 0.00 C ATOM 560 NZ LYS A 37 -10.982 3.827 -6.720 1.00 0.00 N ATOM 0 H LYS A 37 -8.201 4.865 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.955 2.689 -1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.756 3.494 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.932 2.238 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.935 4.956 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.295 4.743 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.394 2.880 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.824 4.360 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.970 2.338 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.709 2.133 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.883 3.303 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.896 4.322 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.212 4.521 -6.638 1.00 0.00 H new ATOM 574 N VAL A 38 -6.756 1.874 -1.348 1.00 0.00 N ATOM 575 CA VAL A 38 -5.843 0.796 -0.988 1.00 0.00 C ATOM 576 C VAL A 38 -6.254 0.145 0.328 1.00 0.00 C ATOM 577 O VAL A 38 -6.480 -1.063 0.392 1.00 0.00 O ATOM 578 CB VAL A 38 -4.394 1.304 -0.867 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.471 0.183 -0.417 1.00 0.00 C ATOM 580 CG2 VAL A 38 -3.925 1.894 -2.188 1.00 0.00 C ATOM 0 H VAL A 38 -6.299 2.761 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.895 0.057 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.365 2.091 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.452 0.561 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.797 -0.189 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.501 -0.628 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.899 2.248 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.969 1.130 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.571 2.728 -2.464 1.00 0.00 H new ATOM 590 N LYS A 39 -6.349 0.955 1.377 1.00 0.00 N ATOM 591 CA LYS A 39 -6.734 0.460 2.694 1.00 0.00 C ATOM 592 C LYS A 39 -7.965 -0.435 2.600 1.00 0.00 C ATOM 593 O LYS A 39 -8.128 -1.368 3.385 1.00 0.00 O ATOM 594 CB LYS A 39 -7.012 1.630 3.640 1.00 0.00 C ATOM 595 CG LYS A 39 -5.775 2.135 4.363 1.00 0.00 C ATOM 596 CD LYS A 39 -5.876 3.620 4.670 1.00 0.00 C ATOM 597 CE LYS A 39 -4.529 4.198 5.075 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.679 5.415 5.920 1.00 0.00 N ATOM 0 H LYS A 39 -6.165 1.958 1.341 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.907 -0.130 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.450 2.450 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.753 1.322 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.642 1.579 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.893 1.948 3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.252 4.149 3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.597 3.779 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.960 3.445 5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.956 4.445 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.844 6.024 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.531 5.936 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.767 5.136 6.918 1.00 0.00 H new ATOM 612 N GLY A 40 -8.829 -0.146 1.631 1.00 0.00 N ATOM 613 CA GLY A 40 -10.034 -0.935 1.452 1.00 0.00 C ATOM 614 C GLY A 40 -9.752 -2.292 0.838 1.00 0.00 C ATOM 615 O GLY A 40 -10.455 -3.265 1.115 1.00 0.00 O ATOM 0 H GLY A 40 -8.716 0.620 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.523 -1.071 2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.731 -0.389 0.816 1.00 0.00 H new ATOM 619 N LEU A 41 -8.722 -2.359 0.002 1.00 0.00 N ATOM 620 CA LEU A 41 -8.350 -3.607 -0.655 1.00 0.00 C ATOM 621 C LEU A 41 -8.062 -4.698 0.372 1.00 0.00 C ATOM 622 O LEU A 41 -8.565 -5.817 0.263 1.00 0.00 O ATOM 623 CB LEU A 41 -7.124 -3.392 -1.545 1.00 0.00 C ATOM 624 CG LEU A 41 -6.369 -4.654 -1.964 1.00 0.00 C ATOM 625 CD1 LEU A 41 -6.978 -5.245 -3.226 1.00 0.00 C ATOM 626 CD2 LEU A 41 -4.894 -4.348 -2.174 1.00 0.00 C ATOM 0 H LEU A 41 -8.130 -1.564 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.188 -3.928 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.442 -2.867 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.430 -2.735 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.456 -5.389 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.428 -6.142 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.021 -5.502 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.922 -4.515 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.372 -5.258 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.786 -3.596 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.465 -3.971 -1.246 1.00 0.00 H new ATOM 638 N LEU A 42 -7.251 -4.364 1.370 1.00 0.00 N ATOM 639 CA LEU A 42 -6.898 -5.314 2.419 1.00 0.00 C ATOM 640 C LEU A 42 -7.996 -5.393 3.475 1.00 0.00 C ATOM 641 O LEU A 42 -8.281 -6.465 4.009 1.00 0.00 O ATOM 642 CB LEU A 42 -5.574 -4.913 3.073 1.00 0.00 C ATOM 643 CG LEU A 42 -4.387 -4.729 2.127 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.417 -3.697 2.682 1.00 0.00 C ATOM 645 CD2 LEU A 42 -3.680 -6.057 1.894 1.00 0.00 C ATOM 0 H LEU A 42 -6.826 -3.443 1.475 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.788 -6.297 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.728 -3.981 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.311 -5.672 3.810 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.762 -4.367 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.579 -3.579 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.929 -2.741 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.048 -4.030 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.838 -5.907 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.317 -6.448 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.378 -6.768 1.452 1.00 0.00 H new ATOM 657 N SER A 43 -8.609 -4.251 3.770 1.00 0.00 N ATOM 658 CA SER A 43 -9.676 -4.191 4.763 1.00 0.00 C ATOM 659 C SER A 43 -10.565 -5.428 4.681 1.00 0.00 C ATOM 660 O SER A 43 -10.952 -5.996 5.702 1.00 0.00 O ATOM 661 CB SER A 43 -10.518 -2.929 4.562 1.00 0.00 C ATOM 662 OG SER A 43 -11.800 -3.073 5.148 1.00 0.00 O ATOM 0 H SER A 43 -8.385 -3.355 3.336 1.00 0.00 H new ATOM 0 HA SER A 43 -9.218 -4.160 5.751 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.007 -2.073 5.003 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.623 -2.724 3.497 1.00 0.00 H new ATOM 0 HG SER A 43 -11.703 -3.247 6.108 1.00 0.00 H new ATOM 668 N ARG A 44 -10.885 -5.839 3.458 1.00 0.00 N ATOM 669 CA ARG A 44 -11.730 -7.007 3.242 1.00 0.00 C ATOM 670 C ARG A 44 -10.946 -8.295 3.475 1.00 0.00 C ATOM 671 O ARG A 44 -11.483 -9.276 3.993 1.00 0.00 O ATOM 672 CB ARG A 44 -12.300 -6.995 1.822 1.00 0.00 C ATOM 673 CG ARG A 44 -13.305 -5.880 1.579 1.00 0.00 C ATOM 674 CD ARG A 44 -14.680 -6.242 2.118 1.00 0.00 C ATOM 675 NE ARG A 44 -15.669 -5.207 1.833 1.00 0.00 N ATOM 676 CZ ARG A 44 -15.689 -4.023 2.436 1.00 0.00 C ATOM 677 NH1 ARG A 44 -14.778 -3.727 3.352 1.00 0.00 N ATOM 678 NH2 ARG A 44 -16.622 -3.133 2.123 1.00 0.00 N ATOM 0 H ARG A 44 -10.572 -5.381 2.602 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.552 -6.967 3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.480 -6.895 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.779 -7.954 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.956 -4.964 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.374 -5.677 0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.005 -7.185 1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.618 -6.397 3.195 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.384 -5.403 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.059 -4.409 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.795 -2.817 3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.325 -3.357 1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.636 -2.225 2.587 1.00 0.00 H new ATOM 692 N LEU A 45 -9.675 -8.286 3.090 1.00 0.00 N ATOM 693 CA LEU A 45 -8.817 -9.454 3.257 1.00 0.00 C ATOM 694 C LEU A 45 -8.671 -9.817 4.731 1.00 0.00 C ATOM 695 O LEU A 45 -8.998 -10.931 5.143 1.00 0.00 O ATOM 696 CB LEU A 45 -7.439 -9.190 2.647 1.00 0.00 C ATOM 697 CG LEU A 45 -7.275 -9.564 1.173 1.00 0.00 C ATOM 698 CD1 LEU A 45 -7.724 -8.419 0.279 1.00 0.00 C ATOM 699 CD2 LEU A 45 -5.830 -9.940 0.877 1.00 0.00 C ATOM 0 H LEU A 45 -9.216 -7.483 2.660 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.283 -10.293 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.211 -8.130 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.696 -9.739 3.225 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.905 -10.429 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.600 -8.703 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.773 -8.196 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.121 -7.536 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.731 -10.203 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.180 -9.094 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.542 -10.792 1.493 1.00 0.00 H new ATOM 711 N LEU A 46 -8.181 -8.869 5.523 1.00 0.00 N ATOM 712 CA LEU A 46 -7.994 -9.088 6.953 1.00 0.00 C ATOM 713 C LEU A 46 -9.240 -8.681 7.733 1.00 0.00 C ATOM 714 O LEU A 46 -9.283 -8.793 8.958 1.00 0.00 O ATOM 715 CB LEU A 46 -6.784 -8.299 7.456 1.00 0.00 C ATOM 716 CG LEU A 46 -5.441 -8.647 6.812 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.485 -7.469 6.901 1.00 0.00 C ATOM 718 CD2 LEU A 46 -4.837 -9.878 7.472 1.00 0.00 C ATOM 0 H LEU A 46 -7.906 -7.942 5.199 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.818 -10.152 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.976 -7.238 7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.698 -8.450 8.532 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.612 -8.870 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.535 -7.736 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.914 -6.612 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.319 -7.213 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.882 -10.111 7.002 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.681 -9.682 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.515 -10.723 7.355 1.00 0.00 H new ATOM 730 N LYS A 47 -10.254 -8.209 7.015 1.00 0.00 N ATOM 731 CA LYS A 47 -11.503 -7.788 7.638 1.00 0.00 C ATOM 732 C LYS A 47 -11.264 -6.647 8.621 1.00 0.00 C ATOM 733 O LYS A 47 -11.958 -6.528 9.631 1.00 0.00 O ATOM 734 CB LYS A 47 -12.160 -8.968 8.359 1.00 0.00 C ATOM 735 CG LYS A 47 -12.498 -10.130 7.441 1.00 0.00 C ATOM 736 CD LYS A 47 -11.349 -11.119 7.347 1.00 0.00 C ATOM 737 CE LYS A 47 -11.846 -12.522 7.037 1.00 0.00 C ATOM 738 NZ LYS A 47 -12.520 -13.144 8.210 1.00 0.00 N ATOM 0 H LYS A 47 -10.235 -8.109 6.000 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.170 -7.433 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.492 -9.320 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.072 -8.623 8.846 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.388 -10.639 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.736 -9.752 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.654 -10.798 6.571 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.796 -11.127 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.540 -12.484 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.006 -13.145 6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.571 -14.174 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.979 -12.934 9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.482 -12.759 8.302 1.00 0.00 H new ATOM 752 N VAL A 48 -10.277 -5.809 8.319 1.00 0.00 N ATOM 753 CA VAL A 48 -9.948 -4.676 9.175 1.00 0.00 C ATOM 754 C VAL A 48 -10.518 -3.378 8.613 1.00 0.00 C ATOM 755 O VAL A 48 -10.481 -3.125 7.409 1.00 0.00 O ATOM 756 CB VAL A 48 -8.424 -4.523 9.343 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.100 -3.300 10.187 1.00 0.00 C ATOM 758 CG2 VAL A 48 -7.828 -5.780 9.960 1.00 0.00 C ATOM 0 H VAL A 48 -9.692 -5.894 7.488 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.396 -4.875 10.149 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.979 -4.383 8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.019 -3.208 10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.493 -2.407 9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.555 -3.407 11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.751 -5.655 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.277 -5.953 10.938 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.029 -6.634 9.313 1.00 0.00 H new ATOM 768 N PRO A 49 -11.059 -2.535 9.505 1.00 0.00 N ATOM 769 CA PRO A 49 -11.647 -1.248 9.121 1.00 0.00 C ATOM 770 C PRO A 49 -10.596 -0.244 8.662 1.00 0.00 C ATOM 771 O PRO A 49 -9.575 -0.052 9.323 1.00 0.00 O ATOM 772 CB PRO A 49 -12.320 -0.767 10.409 1.00 0.00 C ATOM 773 CG PRO A 49 -11.564 -1.438 11.504 1.00 0.00 C ATOM 774 CD PRO A 49 -11.138 -2.772 10.956 1.00 0.00 C ATOM 0 HA PRO A 49 -12.331 -1.348 8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.270 0.318 10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.375 -1.041 10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.700 -0.845 11.802 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.187 -1.561 12.390 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.178 -3.086 11.365 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.858 -3.554 11.197 1.00 0.00 H new ATOM 782 N VAL A 50 -10.851 0.395 7.525 1.00 0.00 N ATOM 783 CA VAL A 50 -9.927 1.382 6.978 1.00 0.00 C ATOM 784 C VAL A 50 -9.608 2.464 8.003 1.00 0.00 C ATOM 785 O VAL A 50 -8.577 3.132 7.916 1.00 0.00 O ATOM 786 CB VAL A 50 -10.498 2.044 5.710 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.668 3.258 5.321 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.559 1.041 4.567 1.00 0.00 C ATOM 0 H VAL A 50 -11.690 0.247 6.964 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.012 0.849 6.720 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.513 2.381 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.087 3.712 4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.681 3.983 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.641 2.949 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.965 1.526 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.556 0.672 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.200 0.206 4.850 1.00 0.00 H new ATOM 798 N SER A 51 -10.499 2.632 8.975 1.00 0.00 N ATOM 799 CA SER A 51 -10.314 3.635 10.017 1.00 0.00 C ATOM 800 C SER A 51 -9.073 3.331 10.850 1.00 0.00 C ATOM 801 O SER A 51 -8.252 4.212 11.102 1.00 0.00 O ATOM 802 CB SER A 51 -11.547 3.696 10.920 1.00 0.00 C ATOM 803 OG SER A 51 -11.422 4.725 11.886 1.00 0.00 O ATOM 0 H SER A 51 -11.356 2.086 9.063 1.00 0.00 H new ATOM 0 HA SER A 51 -10.178 4.603 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.437 3.868 10.314 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.682 2.737 11.421 1.00 0.00 H new ATOM 0 HG SER A 51 -12.224 4.744 12.449 1.00 0.00 H new ATOM 809 N GLU A 52 -8.945 2.078 11.274 1.00 0.00 N ATOM 810 CA GLU A 52 -7.805 1.658 12.080 1.00 0.00 C ATOM 811 C GLU A 52 -6.595 1.363 11.199 1.00 0.00 C ATOM 812 O GLU A 52 -5.454 1.619 11.585 1.00 0.00 O ATOM 813 CB GLU A 52 -8.163 0.420 12.905 1.00 0.00 C ATOM 814 CG GLU A 52 -9.210 0.682 13.974 1.00 0.00 C ATOM 815 CD GLU A 52 -8.876 1.886 14.834 1.00 0.00 C ATOM 816 OE1 GLU A 52 -7.961 1.776 15.676 1.00 0.00 O ATOM 817 OE2 GLU A 52 -9.530 2.936 14.665 1.00 0.00 O ATOM 0 H GLU A 52 -9.616 1.337 11.073 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.550 2.475 12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.527 -0.359 12.236 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.260 0.036 13.380 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.179 0.837 13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.304 -0.199 14.609 1.00 0.00 H new ATOM 824 N LEU A 53 -6.852 0.821 10.013 1.00 0.00 N ATOM 825 CA LEU A 53 -5.785 0.490 9.075 1.00 0.00 C ATOM 826 C LEU A 53 -4.779 1.631 8.970 1.00 0.00 C ATOM 827 O LEU A 53 -5.149 2.805 9.007 1.00 0.00 O ATOM 828 CB LEU A 53 -6.369 0.181 7.696 1.00 0.00 C ATOM 829 CG LEU A 53 -6.900 -1.238 7.494 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.467 -1.402 6.092 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.802 -2.260 7.750 1.00 0.00 C ATOM 0 H LEU A 53 -7.790 0.602 9.678 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.267 -0.393 9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.181 0.882 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.600 0.369 6.947 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.703 -1.410 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.840 -2.418 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.283 -0.695 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.684 -1.210 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.198 -3.265 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.977 -2.089 7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.443 -2.159 8.774 1.00 0.00 H new ATOM 843 N LEU A 54 -3.505 1.279 8.837 1.00 0.00 N ATOM 844 CA LEU A 54 -2.444 2.274 8.724 1.00 0.00 C ATOM 845 C LEU A 54 -1.427 1.868 7.662 1.00 0.00 C ATOM 846 O LEU A 54 -0.684 0.901 7.836 1.00 0.00 O ATOM 847 CB LEU A 54 -1.745 2.459 10.072 1.00 0.00 C ATOM 848 CG LEU A 54 -2.564 3.147 11.164 1.00 0.00 C ATOM 849 CD1 LEU A 54 -1.898 2.972 12.520 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.746 4.623 10.844 1.00 0.00 C ATOM 0 H LEU A 54 -3.181 0.312 8.805 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.897 3.219 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.440 1.479 10.438 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.835 3.036 9.910 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.548 2.680 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.495 3.468 13.285 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.820 1.910 12.753 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.901 3.412 12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.331 5.097 11.632 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.770 5.104 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.267 4.727 9.892 1.00 0.00 H new ATOM 862 N LEU A 55 -1.397 2.613 6.563 1.00 0.00 N ATOM 863 CA LEU A 55 -0.470 2.332 5.473 1.00 0.00 C ATOM 864 C LEU A 55 0.814 3.141 5.628 1.00 0.00 C ATOM 865 O LEU A 55 0.774 4.355 5.829 1.00 0.00 O ATOM 866 CB LEU A 55 -1.124 2.646 4.126 1.00 0.00 C ATOM 867 CG LEU A 55 -1.790 1.468 3.413 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.753 0.429 3.016 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.861 0.846 4.297 1.00 0.00 C ATOM 0 H LEU A 55 -2.004 3.417 6.403 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.217 1.272 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.873 3.422 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.365 3.063 3.464 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.267 1.839 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.245 -0.402 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.023 0.881 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.246 0.061 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.324 0.010 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.407 0.489 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.620 1.593 4.530 1.00 0.00 H new ATOM 881 N SER A 56 1.952 2.461 5.531 1.00 0.00 N ATOM 882 CA SER A 56 3.248 3.116 5.662 1.00 0.00 C ATOM 883 C SER A 56 4.265 2.505 4.703 1.00 0.00 C ATOM 884 O SER A 56 4.594 1.322 4.801 1.00 0.00 O ATOM 885 CB SER A 56 3.755 3.006 7.101 1.00 0.00 C ATOM 886 OG SER A 56 3.524 1.710 7.625 1.00 0.00 O ATOM 0 H SER A 56 2.003 1.456 5.362 1.00 0.00 H new ATOM 0 HA SER A 56 3.123 4.169 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.821 3.230 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.255 3.748 7.724 1.00 0.00 H new ATOM 0 HG SER A 56 2.946 1.208 7.013 1.00 0.00 H new ATOM 892 N TYR A 57 4.760 3.319 3.777 1.00 0.00 N ATOM 893 CA TYR A 57 5.738 2.858 2.799 1.00 0.00 C ATOM 894 C TYR A 57 7.156 3.202 3.243 1.00 0.00 C ATOM 895 O TYR A 57 7.402 4.274 3.795 1.00 0.00 O ATOM 896 CB TYR A 57 5.455 3.483 1.431 1.00 0.00 C ATOM 897 CG TYR A 57 6.164 4.799 1.208 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.773 5.945 1.889 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.224 4.897 0.316 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.417 7.151 1.688 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.875 6.098 0.109 1.00 0.00 C ATOM 902 CZ TYR A 57 7.468 7.222 0.798 1.00 0.00 C ATOM 903 OH TYR A 57 8.113 8.420 0.594 1.00 0.00 O ATOM 0 H TYR A 57 4.500 4.301 3.683 1.00 0.00 H new ATOM 0 HA TYR A 57 5.654 1.774 2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.754 2.782 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.381 3.636 1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.951 5.892 2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.545 4.019 -0.225 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.099 8.033 2.225 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.698 6.157 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 57 7.654 8.923 -0.111 1.00 0.00 H new ATOM 913 N GLU A 58 8.085 2.283 2.998 1.00 0.00 N ATOM 914 CA GLU A 58 9.479 2.488 3.373 1.00 0.00 C ATOM 915 C GLU A 58 10.330 2.812 2.148 1.00 0.00 C ATOM 916 O GLU A 58 10.420 2.016 1.214 1.00 0.00 O ATOM 917 CB GLU A 58 10.030 1.246 4.076 1.00 0.00 C ATOM 918 CG GLU A 58 11.251 1.524 4.936 1.00 0.00 C ATOM 919 CD GLU A 58 11.822 0.266 5.562 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.430 -0.538 4.826 1.00 0.00 O ATOM 921 OE2 GLU A 58 11.661 0.087 6.788 1.00 0.00 O ATOM 0 H GLU A 58 7.897 1.390 2.542 1.00 0.00 H new ATOM 0 HA GLU A 58 9.523 3.334 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.247 0.815 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.287 0.498 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.018 2.003 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.983 2.228 5.724 1.00 0.00 H new ATOM 928 N SER A 59 10.952 3.987 2.161 1.00 0.00 N ATOM 929 CA SER A 59 11.792 4.419 1.050 1.00 0.00 C ATOM 930 C SER A 59 13.061 3.576 0.969 1.00 0.00 C ATOM 931 O SER A 59 13.824 3.490 1.931 1.00 0.00 O ATOM 932 CB SER A 59 12.156 5.897 1.203 1.00 0.00 C ATOM 933 OG SER A 59 12.854 6.127 2.415 1.00 0.00 O ATOM 0 H SER A 59 10.890 4.656 2.928 1.00 0.00 H new ATOM 0 HA SER A 59 11.228 4.285 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.771 6.213 0.360 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.250 6.502 1.181 1.00 0.00 H new ATOM 0 HG SER A 59 13.207 5.278 2.756 1.00 0.00 H new ATOM 939 N SER A 60 13.279 2.956 -0.186 1.00 0.00 N ATOM 940 CA SER A 60 14.453 2.117 -0.393 1.00 0.00 C ATOM 941 C SER A 60 15.730 2.870 -0.033 1.00 0.00 C ATOM 942 O SER A 60 16.541 2.397 0.765 1.00 0.00 O ATOM 943 CB SER A 60 14.519 1.645 -1.847 1.00 0.00 C ATOM 944 OG SER A 60 14.598 2.745 -2.737 1.00 0.00 O ATOM 0 H SER A 60 12.658 3.019 -0.993 1.00 0.00 H new ATOM 0 HA SER A 60 14.368 1.249 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.386 0.999 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.637 1.048 -2.079 1.00 0.00 H new ATOM 0 HG SER A 60 14.641 2.417 -3.659 1.00 0.00 H new ATOM 950 N LYS A 61 15.903 4.046 -0.626 1.00 0.00 N ATOM 951 CA LYS A 61 17.080 4.868 -0.368 1.00 0.00 C ATOM 952 C LYS A 61 17.300 5.048 1.130 1.00 0.00 C ATOM 953 O LYS A 61 18.436 5.161 1.591 1.00 0.00 O ATOM 954 CB LYS A 61 16.930 6.235 -1.040 1.00 0.00 C ATOM 955 CG LYS A 61 15.700 7.003 -0.588 1.00 0.00 C ATOM 956 CD LYS A 61 15.868 8.499 -0.800 1.00 0.00 C ATOM 957 CE LYS A 61 14.897 9.295 0.057 1.00 0.00 C ATOM 958 NZ LYS A 61 15.302 9.306 1.490 1.00 0.00 N ATOM 0 H LYS A 61 15.243 4.452 -1.289 1.00 0.00 H new ATOM 0 HA LYS A 61 17.948 4.357 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.818 6.832 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.885 6.097 -2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.828 6.652 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.512 6.803 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.891 8.789 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.708 8.739 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.842 10.319 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.898 8.869 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.653 8.707 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.271 8.939 1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.265 10.280 1.854 1.00 0.00 H new ATOM 972 N MET A 62 16.207 5.072 1.886 1.00 0.00 N ATOM 973 CA MET A 62 16.282 5.236 3.333 1.00 0.00 C ATOM 974 C MET A 62 15.504 4.134 4.046 1.00 0.00 C ATOM 975 O MET A 62 14.337 4.297 4.404 1.00 0.00 O ATOM 976 CB MET A 62 15.739 6.606 3.742 1.00 0.00 C ATOM 977 CG MET A 62 16.118 7.013 5.157 1.00 0.00 C ATOM 978 SD MET A 62 15.938 8.784 5.443 1.00 0.00 S ATOM 979 CE MET A 62 17.265 9.076 6.609 1.00 0.00 C ATOM 0 H MET A 62 15.259 4.980 1.521 1.00 0.00 H new ATOM 0 HA MET A 62 17.329 5.166 3.627 1.00 0.00 H new ATOM 0 HB2 MET A 62 16.110 7.357 3.045 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.653 6.598 3.654 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.494 6.469 5.867 1.00 0.00 H new ATOM 0 HG3 MET A 62 17.150 6.721 5.351 1.00 0.00 H new ATOM 0 HE1 MET A 62 17.283 10.131 6.883 1.00 0.00 H new ATOM 0 HE2 MET A 62 17.104 8.472 7.502 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.217 8.803 6.153 1.00 0.00 H new ATOM 989 N PRO A 63 16.163 2.985 4.258 1.00 0.00 N ATOM 990 CA PRO A 63 15.552 1.835 4.929 1.00 0.00 C ATOM 991 C PRO A 63 15.317 2.088 6.415 1.00 0.00 C ATOM 992 O PRO A 63 15.965 2.941 7.019 1.00 0.00 O ATOM 993 CB PRO A 63 16.583 0.720 4.733 1.00 0.00 C ATOM 994 CG PRO A 63 17.881 1.431 4.560 1.00 0.00 C ATOM 995 CD PRO A 63 17.555 2.721 3.858 1.00 0.00 C ATOM 0 HA PRO A 63 14.568 1.601 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.610 0.050 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.346 0.110 3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.354 1.620 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.579 0.833 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.221 3.526 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.651 2.625 2.776 1.00 0.00 H new ATOM 1003 N GLY A 64 14.386 1.339 6.998 1.00 0.00 N ATOM 1004 CA GLY A 64 14.083 1.498 8.409 1.00 0.00 C ATOM 1005 C GLY A 64 13.105 2.627 8.668 1.00 0.00 C ATOM 1006 O GLY A 64 12.166 2.477 9.450 1.00 0.00 O ATOM 0 H GLY A 64 13.836 0.625 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.669 0.567 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.006 1.688 8.957 1.00 0.00 H new ATOM 1010 N ARG A 65 13.326 3.761 8.012 1.00 0.00 N ATOM 1011 CA ARG A 65 12.458 4.921 8.178 1.00 0.00 C ATOM 1012 C ARG A 65 11.187 4.772 7.347 1.00 0.00 C ATOM 1013 O ARG A 65 11.231 4.798 6.118 1.00 0.00 O ATOM 1014 CB ARG A 65 13.196 6.199 7.775 1.00 0.00 C ATOM 1015 CG ARG A 65 12.665 7.450 8.456 1.00 0.00 C ATOM 1016 CD ARG A 65 12.905 8.690 7.609 1.00 0.00 C ATOM 1017 NE ARG A 65 12.226 8.611 6.319 1.00 0.00 N ATOM 1018 CZ ARG A 65 12.044 9.656 5.519 1.00 0.00 C ATOM 1019 NH1 ARG A 65 12.489 10.853 5.876 1.00 0.00 N ATOM 1020 NH2 ARG A 65 11.416 9.505 4.360 1.00 0.00 N ATOM 0 H ARG A 65 14.098 3.902 7.361 1.00 0.00 H new ATOM 0 HA ARG A 65 12.179 4.987 9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.254 6.088 8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.123 6.325 6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.597 7.338 8.644 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.149 7.571 9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.557 9.571 8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.975 8.817 7.448 1.00 0.00 H new ATOM 0 HE ARG A 65 11.872 7.704 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.972 10.973 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.348 11.654 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.072 8.586 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.277 10.308 3.747 1.00 0.00 H new ATOM 1034 N GLU A 66 10.056 4.617 8.028 1.00 0.00 N ATOM 1035 CA GLU A 66 8.773 4.462 7.353 1.00 0.00 C ATOM 1036 C GLU A 66 7.916 5.714 7.519 1.00 0.00 C ATOM 1037 O GLU A 66 7.985 6.394 8.543 1.00 0.00 O ATOM 1038 CB GLU A 66 8.026 3.244 7.900 1.00 0.00 C ATOM 1039 CG GLU A 66 7.766 3.310 9.395 1.00 0.00 C ATOM 1040 CD GLU A 66 9.011 3.037 10.217 1.00 0.00 C ATOM 1041 OE1 GLU A 66 9.347 1.850 10.407 1.00 0.00 O ATOM 1042 OE2 GLU A 66 9.649 4.011 10.670 1.00 0.00 O ATOM 0 H GLU A 66 10.002 4.595 9.046 1.00 0.00 H new ATOM 0 HA GLU A 66 8.967 4.313 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.074 3.148 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.603 2.346 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.377 4.296 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.995 2.585 9.658 1.00 0.00 H new ATOM 1049 N ILE A 67 7.111 6.012 6.505 1.00 0.00 N ATOM 1050 CA ILE A 67 6.241 7.181 6.539 1.00 0.00 C ATOM 1051 C ILE A 67 4.773 6.772 6.599 1.00 0.00 C ATOM 1052 O ILE A 67 4.274 6.083 5.710 1.00 0.00 O ATOM 1053 CB ILE A 67 6.461 8.082 5.310 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.885 8.641 5.308 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.443 9.212 5.292 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.908 7.689 4.729 1.00 0.00 C ATOM 0 H ILE A 67 7.043 5.460 5.650 1.00 0.00 H new ATOM 0 HA ILE A 67 6.497 7.739 7.439 1.00 0.00 H new ATOM 0 HB ILE A 67 6.325 7.482 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.901 9.570 4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.170 8.890 6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.612 9.840 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.437 8.795 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.550 9.812 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.894 8.152 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.921 6.769 5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.647 7.459 3.696 1.00 0.00 H new ATOM 1068 N GLU A 68 4.087 7.204 7.653 1.00 0.00 N ATOM 1069 CA GLU A 68 2.675 6.883 7.828 1.00 0.00 C ATOM 1070 C GLU A 68 1.802 7.770 6.945 1.00 0.00 C ATOM 1071 O GLU A 68 1.731 8.984 7.143 1.00 0.00 O ATOM 1072 CB GLU A 68 2.270 7.047 9.294 1.00 0.00 C ATOM 1073 CG GLU A 68 3.034 8.142 10.018 1.00 0.00 C ATOM 1074 CD GLU A 68 4.298 7.631 10.682 1.00 0.00 C ATOM 1075 OE1 GLU A 68 4.369 6.418 10.970 1.00 0.00 O ATOM 1076 OE2 GLU A 68 5.216 8.445 10.914 1.00 0.00 O ATOM 0 H GLU A 68 4.485 7.776 8.397 1.00 0.00 H new ATOM 0 HA GLU A 68 2.525 5.845 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.203 7.265 9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.427 6.102 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.293 8.929 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.389 8.592 10.772 1.00 0.00 H new ATOM 1083 N LEU A 69 1.140 7.157 5.971 1.00 0.00 N ATOM 1084 CA LEU A 69 0.271 7.890 5.056 1.00 0.00 C ATOM 1085 C LEU A 69 -1.041 8.267 5.736 1.00 0.00 C ATOM 1086 O LEU A 69 -1.986 7.480 5.760 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.010 7.053 3.807 1.00 0.00 C ATOM 1088 CG LEU A 69 1.190 6.321 3.205 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.741 5.383 2.096 1.00 0.00 C ATOM 1090 CD2 LEU A 69 2.215 7.317 2.682 1.00 0.00 C ATOM 0 H LEU A 69 1.188 6.154 5.794 1.00 0.00 H new ATOM 0 HA LEU A 69 0.783 8.806 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.774 6.315 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.432 7.707 3.043 1.00 0.00 H new ATOM 0 HG LEU A 69 1.659 5.726 3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.608 4.871 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.045 4.648 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.247 5.957 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.062 6.778 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.758 7.939 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.560 7.948 3.501 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.091 9.476 6.286 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.288 9.957 6.965 1.00 0.00 C ATOM 1104 C GLU A 70 -3.266 10.577 5.971 1.00 0.00 C ATOM 1105 O GLU A 70 -4.438 10.781 6.282 1.00 0.00 O ATOM 1106 CB GLU A 70 -1.916 10.982 8.038 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.998 12.083 7.536 1.00 0.00 C ATOM 1108 CD GLU A 70 0.470 11.730 7.679 1.00 0.00 C ATOM 1109 OE1 GLU A 70 0.922 11.528 8.825 1.00 0.00 O ATOM 1110 OE2 GLU A 70 1.166 11.656 6.645 1.00 0.00 O ATOM 0 H GLU A 70 -0.317 10.140 6.275 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.772 9.104 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.828 11.432 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.432 10.467 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.219 12.285 6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.202 13.001 8.087 1.00 0.00 H new ATOM 1117 N ASN A 71 -2.772 10.876 4.773 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.601 11.474 3.733 1.00 0.00 C ATOM 1119 C ASN A 71 -4.274 10.397 2.887 1.00 0.00 C ATOM 1120 O ASN A 71 -3.651 9.807 2.004 1.00 0.00 O ATOM 1121 CB ASN A 71 -2.756 12.385 2.840 1.00 0.00 C ATOM 1122 CG ASN A 71 -2.272 13.623 3.571 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -1.520 13.530 4.541 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -2.703 14.790 3.107 1.00 0.00 N ATOM 0 H ASN A 71 -1.803 10.714 4.499 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.376 12.068 4.218 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.897 11.828 2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.343 12.685 1.972 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.411 15.657 3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.326 14.819 2.300 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.549 10.147 3.164 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.308 9.142 2.428 1.00 0.00 C ATOM 1133 C ASP A 72 -6.784 9.695 1.088 1.00 0.00 C ATOM 1134 O ASP A 72 -6.801 8.984 0.082 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.506 8.671 3.253 1.00 0.00 C ATOM 1136 CG ASP A 72 -8.032 9.751 4.179 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -8.795 10.618 3.705 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -7.680 9.729 5.377 1.00 0.00 O ATOM 0 H ASP A 72 -6.079 10.626 3.892 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.651 8.293 2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.303 8.352 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.218 7.800 3.842 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.170 10.966 1.081 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.647 11.614 -0.136 1.00 0.00 C ATOM 1145 C LEU A 73 -6.499 11.856 -1.110 1.00 0.00 C ATOM 1146 O LEU A 73 -6.719 12.222 -2.264 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.331 12.940 0.204 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.491 12.861 1.197 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -9.945 14.256 1.598 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.648 12.071 0.604 1.00 0.00 C ATOM 0 H LEU A 73 -7.162 11.568 1.904 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.369 10.951 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.580 13.620 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.700 13.383 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.145 12.343 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.771 14.181 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.116 14.788 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.274 14.800 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.464 12.025 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.994 12.561 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.315 11.060 0.368 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.274 11.647 -0.637 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.092 11.841 -1.468 1.00 0.00 C ATOM 1164 C GLN A 74 -3.629 10.520 -2.075 1.00 0.00 C ATOM 1165 O GLN A 74 -3.680 9.467 -1.440 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.961 12.462 -0.646 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.228 13.900 -0.233 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.344 14.836 -1.419 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -3.238 14.414 -2.571 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -3.562 16.117 -1.144 1.00 0.00 N ATOM 0 H GLN A 74 -5.075 11.344 0.316 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.357 12.519 -2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.800 11.860 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.039 12.425 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.149 13.942 0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.423 14.242 0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.643 16.424 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.648 16.794 -1.902 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.168 10.576 -3.333 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.687 9.393 -4.052 1.00 0.00 C ATOM 1181 C PRO A 75 -1.372 8.866 -3.489 1.00 0.00 C ATOM 1182 O PRO A 75 -0.841 9.404 -2.517 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.490 9.903 -5.482 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.258 11.367 -5.333 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.079 11.798 -4.149 1.00 0.00 C ATOM 0 HA PRO A 75 -3.384 8.558 -3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.643 9.415 -5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.366 9.702 -6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.201 11.580 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.559 11.903 -6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.601 12.612 -3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.065 12.152 -4.451 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.851 7.810 -4.105 1.00 0.00 N ATOM 1194 CA LEU A 76 0.404 7.211 -3.665 1.00 0.00 C ATOM 1195 C LEU A 76 1.595 8.065 -4.089 1.00 0.00 C ATOM 1196 O LEU A 76 2.579 8.179 -3.359 1.00 0.00 O ATOM 1197 CB LEU A 76 0.545 5.799 -4.236 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.215 4.696 -3.498 1.00 0.00 C ATOM 1199 CD1 LEU A 76 0.090 4.743 -2.008 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.711 4.825 -3.742 1.00 0.00 C ATOM 0 H LEU A 76 -1.278 7.352 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 76 0.390 7.157 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.209 5.813 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.603 5.538 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 76 0.114 3.732 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.459 3.951 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.159 4.602 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.211 5.710 -1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.236 4.032 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.056 5.794 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.914 4.741 -4.810 1.00 0.00 H new ATOM 1212 N GLN A 77 1.495 8.663 -5.271 1.00 0.00 N ATOM 1213 CA GLN A 77 2.564 9.508 -5.791 1.00 0.00 C ATOM 1214 C GLN A 77 2.825 10.689 -4.862 1.00 0.00 C ATOM 1215 O GLN A 77 3.963 11.137 -4.716 1.00 0.00 O ATOM 1216 CB GLN A 77 2.207 10.014 -7.190 1.00 0.00 C ATOM 1217 CG GLN A 77 3.141 11.100 -7.701 1.00 0.00 C ATOM 1218 CD GLN A 77 2.766 11.588 -9.086 1.00 0.00 C ATOM 1219 OE1 GLN A 77 3.465 11.318 -10.063 1.00 0.00 O ATOM 1220 NE2 GLN A 77 1.656 12.313 -9.178 1.00 0.00 N ATOM 0 H GLN A 77 0.686 8.579 -5.886 1.00 0.00 H new ATOM 0 HA GLN A 77 3.472 8.908 -5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.223 9.175 -7.886 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.187 10.399 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.128 11.941 -7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.162 10.717 -7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.107 12.513 -8.342 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.353 12.670 -10.084 1.00 0.00 H new ATOM 1229 N PHE A 78 1.765 11.188 -4.235 1.00 0.00 N ATOM 1230 CA PHE A 78 1.880 12.318 -3.321 1.00 0.00 C ATOM 1231 C PHE A 78 2.955 12.060 -2.269 1.00 0.00 C ATOM 1232 O PHE A 78 3.577 12.992 -1.759 1.00 0.00 O ATOM 1233 CB PHE A 78 0.538 12.587 -2.638 1.00 0.00 C ATOM 1234 CG PHE A 78 0.601 13.666 -1.595 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.996 14.951 -1.931 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.266 13.396 -0.278 1.00 0.00 C ATOM 1237 CE1 PHE A 78 1.056 15.945 -0.973 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.324 14.386 0.685 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.718 15.663 0.336 1.00 0.00 C ATOM 0 H PHE A 78 0.817 10.828 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 78 2.167 13.195 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.196 12.866 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.184 11.666 -2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.260 15.178 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.044 12.400 -0.000 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.367 16.942 -1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.062 14.161 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.762 16.440 1.085 1.00 0.00 H new ATOM 1249 N TYR A 79 3.169 10.788 -1.951 1.00 0.00 N ATOM 1250 CA TYR A 79 4.166 10.406 -0.958 1.00 0.00 C ATOM 1251 C TYR A 79 5.454 9.942 -1.631 1.00 0.00 C ATOM 1252 O TYR A 79 6.204 9.139 -1.076 1.00 0.00 O ATOM 1253 CB TYR A 79 3.621 9.297 -0.057 1.00 0.00 C ATOM 1254 CG TYR A 79 2.612 9.784 0.959 1.00 0.00 C ATOM 1255 CD1 TYR A 79 3.017 10.226 2.213 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.254 9.803 0.665 1.00 0.00 C ATOM 1257 CE1 TYR A 79 2.099 10.671 3.144 1.00 0.00 C ATOM 1258 CE2 TYR A 79 0.329 10.247 1.590 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.756 10.680 2.828 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.161 11.124 3.753 1.00 0.00 O ATOM 0 H TYR A 79 2.666 10.004 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 79 4.390 11.282 -0.349 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.158 8.530 -0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.452 8.824 0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.068 10.221 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.916 9.465 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.431 11.010 4.114 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.723 10.255 1.345 1.00 0.00 H new ATOM 0 HH TYR A 79 0.036 12.055 3.988 1.00 0.00 H new ATOM 1270 N SER A 80 5.704 10.454 -2.832 1.00 0.00 N ATOM 1271 CA SER A 80 6.900 10.091 -3.584 1.00 0.00 C ATOM 1272 C SER A 80 7.041 8.575 -3.682 1.00 0.00 C ATOM 1273 O SER A 80 8.144 8.051 -3.835 1.00 0.00 O ATOM 1274 CB SER A 80 8.144 10.688 -2.924 1.00 0.00 C ATOM 1275 OG SER A 80 9.154 10.951 -3.884 1.00 0.00 O ATOM 0 H SER A 80 5.095 11.121 -3.305 1.00 0.00 H new ATOM 0 HA SER A 80 6.802 10.496 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.879 11.611 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.525 10.000 -2.170 1.00 0.00 H new ATOM 0 HG SER A 80 9.938 11.333 -3.438 1.00 0.00 H new ATOM 1281 N VAL A 81 5.914 7.875 -3.592 1.00 0.00 N ATOM 1282 CA VAL A 81 5.909 6.420 -3.671 1.00 0.00 C ATOM 1283 C VAL A 81 6.008 5.947 -5.117 1.00 0.00 C ATOM 1284 O VAL A 81 5.338 6.481 -6.001 1.00 0.00 O ATOM 1285 CB VAL A 81 4.638 5.827 -3.035 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.589 4.321 -3.243 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.574 6.171 -1.554 1.00 0.00 C ATOM 0 H VAL A 81 4.993 8.293 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 81 6.780 6.071 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 81 3.769 6.266 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.684 3.920 -2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.585 4.101 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.463 3.861 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.670 5.744 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.448 5.761 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.559 7.254 -1.432 1.00 0.00 H new ATOM 1297 N GLU A 82 6.847 4.943 -5.350 1.00 0.00 N ATOM 1298 CA GLU A 82 7.034 4.400 -6.691 1.00 0.00 C ATOM 1299 C GLU A 82 7.136 2.878 -6.651 1.00 0.00 C ATOM 1300 O GLU A 82 7.219 2.278 -5.580 1.00 0.00 O ATOM 1301 CB GLU A 82 8.290 4.990 -7.334 1.00 0.00 C ATOM 1302 CG GLU A 82 9.552 4.772 -6.517 1.00 0.00 C ATOM 1303 CD GLU A 82 10.785 5.352 -7.182 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.428 4.629 -7.973 1.00 0.00 O ATOM 1305 OE2 GLU A 82 11.108 6.528 -6.913 1.00 0.00 O ATOM 0 H GLU A 82 7.408 4.489 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 82 6.166 4.674 -7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.425 4.547 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.144 6.060 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.427 5.226 -5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.698 3.703 -6.359 1.00 0.00 H new ATOM 1312 N ASN A 83 7.128 2.259 -7.827 1.00 0.00 N ATOM 1313 CA ASN A 83 7.219 0.807 -7.928 1.00 0.00 C ATOM 1314 C ASN A 83 8.489 0.293 -7.256 1.00 0.00 C ATOM 1315 O ASN A 83 9.549 0.910 -7.356 1.00 0.00 O ATOM 1316 CB ASN A 83 7.194 0.374 -9.395 1.00 0.00 C ATOM 1317 CG ASN A 83 8.228 1.103 -10.231 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.404 0.736 -10.242 1.00 0.00 O ATOM 1319 ND2 ASN A 83 7.794 2.141 -10.936 1.00 0.00 N ATOM 0 H ASN A 83 7.059 2.740 -8.724 1.00 0.00 H new ATOM 0 HA ASN A 83 6.358 0.378 -7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.372 -0.700 -9.457 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.202 0.557 -9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.444 2.670 -11.517 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.811 2.409 -10.896 1.00 0.00 H new ATOM 1326 N GLY A 84 8.373 -0.841 -6.572 1.00 0.00 N ATOM 1327 CA GLY A 84 9.519 -1.419 -5.895 1.00 0.00 C ATOM 1328 C GLY A 84 9.463 -1.225 -4.392 1.00 0.00 C ATOM 1329 O GLY A 84 9.838 -2.116 -3.630 1.00 0.00 O ATOM 0 H GLY A 84 7.506 -1.370 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.570 -2.484 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.432 -0.967 -6.283 1.00 0.00 H new ATOM 1333 N ASP A 85 8.995 -0.057 -3.966 1.00 0.00 N ATOM 1334 CA ASP A 85 8.892 0.252 -2.544 1.00 0.00 C ATOM 1335 C ASP A 85 8.199 -0.879 -1.791 1.00 0.00 C ATOM 1336 O ASP A 85 7.753 -1.857 -2.393 1.00 0.00 O ATOM 1337 CB ASP A 85 8.128 1.561 -2.339 1.00 0.00 C ATOM 1338 CG ASP A 85 8.964 2.779 -2.683 1.00 0.00 C ATOM 1339 OD1 ASP A 85 9.784 3.193 -1.837 1.00 0.00 O ATOM 1340 OD2 ASP A 85 8.797 3.318 -3.797 1.00 0.00 O ATOM 0 H ASP A 85 8.681 0.691 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 85 9.901 0.363 -2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.230 1.554 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.802 1.629 -1.301 1.00 0.00 H new ATOM 1345 N CYS A 86 8.113 -0.739 -0.473 1.00 0.00 N ATOM 1346 CA CYS A 86 7.475 -1.751 0.363 1.00 0.00 C ATOM 1347 C CYS A 86 6.291 -1.161 1.122 1.00 0.00 C ATOM 1348 O CYS A 86 6.370 -0.054 1.655 1.00 0.00 O ATOM 1349 CB CYS A 86 8.486 -2.339 1.348 1.00 0.00 C ATOM 1350 SG CYS A 86 9.770 -3.349 0.574 1.00 0.00 S ATOM 0 H CYS A 86 8.476 0.064 0.040 1.00 0.00 H new ATOM 0 HA CYS A 86 7.107 -2.545 -0.287 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.960 -1.524 1.895 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.953 -2.946 2.080 1.00 0.00 H new ATOM 0 HG CYS A 86 10.578 -3.799 1.488 1.00 0.00 H new ATOM 1356 N LEU A 87 5.192 -1.907 1.165 1.00 0.00 N ATOM 1357 CA LEU A 87 3.989 -1.458 1.857 1.00 0.00 C ATOM 1358 C LEU A 87 3.895 -2.082 3.246 1.00 0.00 C ATOM 1359 O LEU A 87 3.960 -3.303 3.396 1.00 0.00 O ATOM 1360 CB LEU A 87 2.745 -1.812 1.041 1.00 0.00 C ATOM 1361 CG LEU A 87 2.518 -0.990 -0.228 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.355 -1.555 -1.029 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.271 0.470 0.119 1.00 0.00 C ATOM 0 H LEU A 87 5.109 -2.825 0.729 1.00 0.00 H new ATOM 0 HA LEU A 87 4.046 -0.375 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.805 -2.864 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.871 -1.702 1.683 1.00 0.00 H new ATOM 0 HG LEU A 87 3.417 -1.049 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.208 -0.957 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.573 -2.585 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.449 -1.528 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.112 1.040 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.388 0.549 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.136 0.869 0.649 1.00 0.00 H new ATOM 1375 N LEU A 88 3.741 -1.237 4.259 1.00 0.00 N ATOM 1376 CA LEU A 88 3.635 -1.705 5.637 1.00 0.00 C ATOM 1377 C LEU A 88 2.258 -1.391 6.215 1.00 0.00 C ATOM 1378 O LEU A 88 1.944 -0.237 6.506 1.00 0.00 O ATOM 1379 CB LEU A 88 4.721 -1.061 6.500 1.00 0.00 C ATOM 1380 CG LEU A 88 6.159 -1.231 6.007 1.00 0.00 C ATOM 1381 CD1 LEU A 88 7.060 -0.167 6.613 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.676 -2.623 6.340 1.00 0.00 C ATOM 0 H LEU A 88 3.687 -0.224 4.153 1.00 0.00 H new ATOM 0 HA LEU A 88 3.771 -2.786 5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.509 0.005 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.651 -1.476 7.506 1.00 0.00 H new ATOM 0 HG LEU A 88 6.168 -1.111 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.079 -0.304 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.702 0.821 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.046 -0.254 7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.700 -2.726 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.652 -2.771 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.046 -3.370 5.857 1.00 0.00 H new ATOM 1394 N VAL A 89 1.442 -2.427 6.379 1.00 0.00 N ATOM 1395 CA VAL A 89 0.100 -2.263 6.925 1.00 0.00 C ATOM 1396 C VAL A 89 0.093 -2.463 8.437 1.00 0.00 C ATOM 1397 O VAL A 89 0.863 -3.262 8.971 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.892 -3.251 6.283 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.262 -3.131 6.934 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.983 -3.015 4.783 1.00 0.00 C ATOM 0 H VAL A 89 1.686 -3.388 6.142 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.213 -1.245 6.695 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.526 -4.265 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.950 -3.837 6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.180 -3.354 7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.639 -2.117 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.688 -3.722 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.325 -1.997 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.001 -3.157 4.332 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.782 -1.734 9.121 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.888 -1.831 10.572 1.00 0.00 C ATOM 1412 C ARG A 90 -2.245 -1.324 11.053 1.00 0.00 C ATOM 1413 O ARG A 90 -2.793 -0.370 10.500 1.00 0.00 O ATOM 1414 CB ARG A 90 0.232 -1.033 11.242 1.00 0.00 C ATOM 1415 CG ARG A 90 0.262 -1.176 12.754 1.00 0.00 C ATOM 1416 CD ARG A 90 1.488 -0.505 13.354 1.00 0.00 C ATOM 1417 NE ARG A 90 1.289 0.930 13.541 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.246 1.757 13.949 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.460 1.294 14.210 1.00 0.00 N ATOM 1420 NH2 ARG A 90 1.988 3.050 14.096 1.00 0.00 N ATOM 0 H ARG A 90 -1.428 -1.070 8.694 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.792 -2.881 10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.190 -1.357 10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.118 0.021 10.988 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.640 -0.736 13.180 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.258 -2.233 13.021 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.721 -0.967 14.313 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.347 -0.670 12.703 1.00 0.00 H new ATOM 0 HE ARG A 90 0.366 1.318 13.348 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.662 0.300 14.098 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.192 1.931 14.523 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.055 3.410 13.896 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.723 3.684 14.409 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.780 -1.968 12.083 1.00 0.00 N ATOM 1435 CA TRP A 91 -4.072 -1.583 12.638 1.00 0.00 C ATOM 1436 C TRP A 91 -4.054 -1.650 14.161 1.00 0.00 C ATOM 1437 O TRP A 91 -3.527 -2.599 14.743 1.00 0.00 O ATOM 1438 CB TRP A 91 -5.176 -2.488 12.088 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.987 -3.933 12.436 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.311 -4.542 13.615 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.428 -4.950 11.597 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.987 -5.876 13.559 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.444 -6.152 12.332 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.916 -4.963 10.297 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -3.968 -7.351 11.809 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.444 -6.154 9.779 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.473 -7.335 10.533 1.00 0.00 C ATOM 0 H TRP A 91 -2.339 -2.760 12.551 1.00 0.00 H new ATOM 0 HA TRP A 91 -4.274 -0.554 12.342 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.138 -2.151 12.474 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -5.214 -2.385 11.004 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.756 -4.048 14.466 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.128 -6.552 14.310 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.890 -4.058 9.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -3.989 -8.262 12.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.046 -6.175 8.775 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.098 -8.250 10.099 1.00 0.00 H new