USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 849 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 49 THR OG1 : rot -146:sc= 0.33 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -172:sc= -0.0189 (180deg=-0.167) USER MOD Set 2.1: A 16 HIS : no HD1:sc= -1 K(o=-1.2,f=-0.37) USER MOD Set 2.2: A 109 GLN : amide:sc= -0.239 K(o=-1.2,f=-2.5!) USER MOD Single : A 4 THR OG1 : rot -14:sc= 0.624 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 35:sc= 1.27 USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= -0.101 (180deg=-1.06) USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0975 K(o=-0.097,f=-1.9!) USER MOD Single : A 15 GLN : amide:sc= -0.654 K(o=-0.65,f=-2.2) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot -120:sc= 0.204 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= -0.923 (180deg=-4.08!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 66 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-3.2!) USER MOD Single : A 106 ASN : amide:sc= -0.726 K(o=-0.73,f=-0.062) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 11.304 20.461 2.063 1.00 0.00 N ATOM 47 CA THR A 4 10.918 19.583 3.169 1.00 0.00 C ATOM 48 C THR A 4 10.018 18.450 2.676 1.00 0.00 C ATOM 49 O THR A 4 9.014 18.694 2.002 1.00 0.00 O ATOM 50 CB THR A 4 10.208 20.378 4.275 1.00 0.00 C ATOM 51 OG1 THR A 4 9.593 21.546 3.753 1.00 0.00 O ATOM 52 CG2 THR A 4 11.136 20.811 5.390 1.00 0.00 C ATOM 0 HA THR A 4 11.828 19.148 3.583 1.00 0.00 H new ATOM 0 HB THR A 4 9.464 19.693 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.935 21.720 2.851 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.571 21.368 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.583 19.932 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.923 21.446 4.983 1.00 0.00 H new ATOM 60 N VAL A 5 10.386 17.212 3.012 1.00 0.00 N ATOM 61 CA VAL A 5 9.617 16.041 2.600 1.00 0.00 C ATOM 62 C VAL A 5 9.189 15.211 3.809 1.00 0.00 C ATOM 63 O VAL A 5 10.030 14.709 4.559 1.00 0.00 O ATOM 64 CB VAL A 5 10.424 15.144 1.635 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.537 14.058 1.044 1.00 0.00 C ATOM 66 CG2 VAL A 5 11.064 15.978 0.531 1.00 0.00 C ATOM 0 H VAL A 5 11.213 16.997 3.569 1.00 0.00 H new ATOM 0 HA VAL A 5 8.732 16.412 2.083 1.00 0.00 H new ATOM 0 HB VAL A 5 11.221 14.663 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.124 13.437 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.135 13.440 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.716 14.518 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.627 15.326 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.286 16.492 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.737 16.713 0.974 1.00 0.00 H new ATOM 76 N LYS A 6 7.875 15.065 3.983 1.00 0.00 N ATOM 77 CA LYS A 6 7.325 14.289 5.091 1.00 0.00 C ATOM 78 C LYS A 6 6.159 13.429 4.605 1.00 0.00 C ATOM 79 O LYS A 6 5.063 13.937 4.362 1.00 0.00 O ATOM 80 CB LYS A 6 6.854 15.217 6.222 1.00 0.00 C ATOM 81 CG LYS A 6 7.892 16.249 6.654 1.00 0.00 C ATOM 82 CD LYS A 6 7.766 17.541 5.859 1.00 0.00 C ATOM 83 CE LYS A 6 6.573 18.371 6.318 1.00 0.00 C ATOM 84 NZ LYS A 6 6.842 19.836 6.245 1.00 0.00 N ATOM 0 H LYS A 6 7.172 15.476 3.369 1.00 0.00 H new ATOM 0 HA LYS A 6 8.111 13.640 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.953 15.738 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.580 14.610 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.773 16.462 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.892 15.836 6.522 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.679 18.126 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.661 17.308 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.707 18.131 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.318 18.101 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.003 20.359 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.651 20.071 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.060 20.101 5.263 1.00 0.00 H new ATOM 98 N ARG A 7 6.404 12.126 4.462 1.00 0.00 N ATOM 99 CA ARG A 7 5.373 11.196 4.000 1.00 0.00 C ATOM 100 C ARG A 7 5.347 9.927 4.855 1.00 0.00 C ATOM 101 O ARG A 7 6.180 9.743 5.745 1.00 0.00 O ATOM 102 CB ARG A 7 5.596 10.824 2.529 1.00 0.00 C ATOM 103 CG ARG A 7 5.897 12.004 1.614 1.00 0.00 C ATOM 104 CD ARG A 7 6.646 11.548 0.372 1.00 0.00 C ATOM 105 NE ARG A 7 7.026 12.662 -0.497 1.00 0.00 N ATOM 106 CZ ARG A 7 8.020 12.605 -1.390 1.00 0.00 C ATOM 107 NH1 ARG A 7 8.735 11.492 -1.536 1.00 0.00 N ATOM 108 NH2 ARG A 7 8.292 13.661 -2.143 1.00 0.00 N ATOM 0 H ARG A 7 7.305 11.691 4.659 1.00 0.00 H new ATOM 0 HA ARG A 7 4.411 11.700 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.421 10.115 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.708 10.312 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.966 12.492 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.491 12.744 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.542 11.004 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.023 10.851 -0.188 1.00 0.00 H new ATOM 0 HE ARG A 7 6.502 13.533 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.527 10.673 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 7 9.491 11.458 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.744 14.515 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.050 13.620 -2.825 1.00 0.00 H new ATOM 122 N THR A 8 4.377 9.054 4.574 1.00 0.00 N ATOM 123 CA THR A 8 4.218 7.796 5.307 1.00 0.00 C ATOM 124 C THR A 8 3.372 6.811 4.496 1.00 0.00 C ATOM 125 O THR A 8 2.457 7.221 3.786 1.00 0.00 O ATOM 126 CB THR A 8 3.564 8.067 6.672 1.00 0.00 C ATOM 127 OG1 THR A 8 3.299 6.860 7.368 1.00 0.00 O ATOM 128 CG2 THR A 8 2.262 8.838 6.576 1.00 0.00 C ATOM 0 H THR A 8 3.685 9.197 3.838 1.00 0.00 H new ATOM 0 HA THR A 8 5.201 7.353 5.468 1.00 0.00 H new ATOM 0 HB THR A 8 4.291 8.675 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.004 6.208 7.173 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.857 8.993 7.576 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.445 9.804 6.105 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.547 8.272 5.979 1.00 0.00 H new ATOM 136 N ILE A 9 3.676 5.515 4.609 1.00 0.00 N ATOM 137 CA ILE A 9 2.930 4.488 3.887 1.00 0.00 C ATOM 138 C ILE A 9 2.163 3.593 4.857 1.00 0.00 C ATOM 139 O ILE A 9 2.756 2.914 5.695 1.00 0.00 O ATOM 140 CB ILE A 9 3.857 3.624 2.994 1.00 0.00 C ATOM 141 CG1 ILE A 9 3.031 2.628 2.173 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.905 2.889 3.824 1.00 0.00 C ATOM 143 CD1 ILE A 9 3.456 2.540 0.723 1.00 0.00 C ATOM 0 H ILE A 9 4.432 5.156 5.192 1.00 0.00 H new ATOM 0 HA ILE A 9 2.221 5.003 3.239 1.00 0.00 H new ATOM 0 HB ILE A 9 4.382 4.294 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.111 1.640 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.981 2.915 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.538 2.293 3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.519 3.613 4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.408 2.235 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.828 1.816 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.349 3.517 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.497 2.223 0.668 1.00 0.00 H new ATOM 155 N ARG A 10 0.838 3.599 4.735 1.00 0.00 N ATOM 156 CA ARG A 10 -0.020 2.788 5.591 1.00 0.00 C ATOM 157 C ARG A 10 -1.018 1.996 4.751 1.00 0.00 C ATOM 158 O ARG A 10 -1.922 2.570 4.141 1.00 0.00 O ATOM 159 CB ARG A 10 -0.761 3.667 6.611 1.00 0.00 C ATOM 160 CG ARG A 10 -1.311 4.963 6.033 1.00 0.00 C ATOM 161 CD ARG A 10 -2.634 5.350 6.678 1.00 0.00 C ATOM 162 NE ARG A 10 -2.467 5.812 8.056 1.00 0.00 N ATOM 163 CZ ARG A 10 -3.482 6.116 8.870 1.00 0.00 C ATOM 164 NH1 ARG A 10 -4.740 6.013 8.449 1.00 0.00 N ATOM 165 NH2 ARG A 10 -3.237 6.528 10.109 1.00 0.00 N ATOM 0 H ARG A 10 0.334 4.160 4.048 1.00 0.00 H new ATOM 0 HA ARG A 10 0.611 2.086 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.584 3.094 7.038 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.082 3.906 7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.586 5.764 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.449 4.852 4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.107 6.136 6.089 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.307 4.493 6.664 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.518 5.908 8.417 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.936 5.700 7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.509 6.247 9.077 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.275 6.612 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.011 6.760 10.732 1.00 0.00 H new ATOM 179 N ILE A 11 -0.839 0.676 4.718 1.00 0.00 N ATOM 180 CA ILE A 11 -1.715 -0.204 3.947 1.00 0.00 C ATOM 181 C ILE A 11 -2.364 -1.255 4.842 1.00 0.00 C ATOM 182 O ILE A 11 -1.732 -1.774 5.764 1.00 0.00 O ATOM 183 CB ILE A 11 -0.966 -0.923 2.797 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.524 -1.076 3.111 1.00 0.00 C ATOM 185 CG2 ILE A 11 -1.155 -0.176 1.485 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.197 -2.167 2.306 1.00 0.00 C ATOM 0 H ILE A 11 -0.093 0.192 5.218 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.481 0.438 3.513 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.393 -1.921 2.698 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.028 -0.129 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.644 -1.291 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.621 -0.697 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.216 -0.132 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.763 0.836 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.251 -2.222 2.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.718 -3.123 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.107 -1.943 1.243 1.00 0.00 H new ATOM 198 N LYS A 12 -3.628 -1.566 4.560 1.00 0.00 N ATOM 199 CA LYS A 12 -4.367 -2.558 5.332 1.00 0.00 C ATOM 200 C LYS A 12 -4.836 -3.699 4.437 1.00 0.00 C ATOM 201 O LYS A 12 -5.289 -3.469 3.313 1.00 0.00 O ATOM 202 CB LYS A 12 -5.565 -1.908 6.022 1.00 0.00 C ATOM 203 CG LYS A 12 -5.499 -1.970 7.539 1.00 0.00 C ATOM 204 CD LYS A 12 -5.807 -0.622 8.166 1.00 0.00 C ATOM 205 CE LYS A 12 -4.713 0.403 7.881 1.00 0.00 C ATOM 206 NZ LYS A 12 -3.388 -0.015 8.424 1.00 0.00 N ATOM 0 H LYS A 12 -4.161 -1.143 3.800 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.699 -2.966 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.631 -0.865 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.478 -2.399 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.208 -2.713 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.506 -2.298 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.759 -0.253 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.921 -0.741 9.243 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.631 0.553 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.995 1.362 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.840 0.828 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.530 -0.615 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.869 -0.550 7.699 1.00 0.00 H new ATOM 220 N THR A 13 -4.723 -4.927 4.938 1.00 0.00 N ATOM 221 CA THR A 13 -5.134 -6.108 4.178 1.00 0.00 C ATOM 222 C THR A 13 -5.785 -7.150 5.087 1.00 0.00 C ATOM 223 O THR A 13 -5.158 -7.642 6.028 1.00 0.00 O ATOM 224 CB THR A 13 -3.937 -6.736 3.448 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.921 -5.776 3.195 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.313 -7.366 2.123 1.00 0.00 C ATOM 0 H THR A 13 -4.351 -5.131 5.865 1.00 0.00 H new ATOM 0 HA THR A 13 -5.866 -5.781 3.440 1.00 0.00 H new ATOM 0 HB THR A 13 -3.574 -7.514 4.120 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.046 -6.218 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.424 -7.792 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.048 -8.154 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.738 -6.607 1.467 1.00 0.00 H new ATOM 234 N GLN A 14 -7.042 -7.483 4.798 1.00 0.00 N ATOM 235 CA GLN A 14 -7.779 -8.469 5.586 1.00 0.00 C ATOM 236 C GLN A 14 -8.430 -9.513 4.677 1.00 0.00 C ATOM 237 O GLN A 14 -8.619 -9.273 3.483 1.00 0.00 O ATOM 238 CB GLN A 14 -8.847 -7.779 6.441 1.00 0.00 C ATOM 239 CG GLN A 14 -8.298 -6.678 7.340 1.00 0.00 C ATOM 240 CD GLN A 14 -9.339 -5.629 7.696 1.00 0.00 C ATOM 241 OE1 GLN A 14 -10.446 -5.623 7.155 1.00 0.00 O ATOM 242 NE2 GLN A 14 -8.988 -4.729 8.609 1.00 0.00 N ATOM 0 H GLN A 14 -7.572 -7.084 4.023 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.072 -8.975 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.606 -7.354 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.343 -8.527 7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.911 -7.124 8.256 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.458 -6.194 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.061 -4.768 9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.645 -3.999 8.885 1.00 0.00 H new ATOM 251 N GLN A 15 -8.775 -10.670 5.248 1.00 0.00 N ATOM 252 CA GLN A 15 -9.407 -11.747 4.482 1.00 0.00 C ATOM 253 C GLN A 15 -10.279 -12.626 5.377 1.00 0.00 C ATOM 254 O GLN A 15 -9.922 -12.907 6.518 1.00 0.00 O ATOM 255 CB GLN A 15 -8.343 -12.611 3.793 1.00 0.00 C ATOM 256 CG GLN A 15 -8.913 -13.817 3.056 1.00 0.00 C ATOM 257 CD GLN A 15 -8.338 -13.987 1.662 1.00 0.00 C ATOM 258 OE1 GLN A 15 -7.466 -14.826 1.440 1.00 0.00 O ATOM 259 NE2 GLN A 15 -8.827 -13.195 0.715 1.00 0.00 N ATOM 0 H GLN A 15 -8.628 -10.884 6.234 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.042 -11.285 3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.789 -11.993 3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.630 -12.958 4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.715 -14.718 3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.996 -13.715 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.550 -12.513 0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.480 -13.269 -0.241 1.00 0.00 H new ATOM 268 N HIS A 16 -11.419 -13.064 4.847 1.00 0.00 N ATOM 269 CA HIS A 16 -12.329 -13.921 5.604 1.00 0.00 C ATOM 270 C HIS A 16 -12.759 -15.125 4.768 1.00 0.00 C ATOM 271 O HIS A 16 -13.367 -14.969 3.711 1.00 0.00 O ATOM 272 CB HIS A 16 -13.556 -13.119 6.048 1.00 0.00 C ATOM 273 CG HIS A 16 -14.432 -13.830 7.038 1.00 0.00 C ATOM 274 ND1 HIS A 16 -15.078 -13.182 8.070 1.00 0.00 N ATOM 275 CD2 HIS A 16 -14.776 -15.136 7.147 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.778 -14.057 8.770 1.00 0.00 C ATOM 277 NE2 HIS A 16 -15.613 -15.249 8.229 1.00 0.00 N ATOM 0 H HIS A 16 -11.733 -12.842 3.902 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.805 -14.288 6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.222 -12.178 6.486 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -14.150 -12.869 5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.452 -15.939 6.502 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -16.382 -13.834 9.637 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.039 -16.114 8.561 1.00 0.00 H new ATOM 286 N ILE A 17 -12.449 -16.329 5.252 1.00 0.00 N ATOM 287 CA ILE A 17 -12.813 -17.557 4.547 1.00 0.00 C ATOM 288 C ILE A 17 -13.760 -18.403 5.395 1.00 0.00 C ATOM 289 O ILE A 17 -13.466 -18.701 6.554 1.00 0.00 O ATOM 290 CB ILE A 17 -11.569 -18.394 4.177 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.504 -17.510 3.514 1.00 0.00 C ATOM 292 CG2 ILE A 17 -11.953 -19.548 3.256 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.223 -18.245 3.178 1.00 0.00 C ATOM 0 H ILE A 17 -11.948 -16.479 6.128 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.315 -17.261 3.626 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.151 -18.810 5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.917 -17.083 2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.271 -16.678 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.063 -20.126 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.674 -20.191 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.397 -19.152 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.519 -17.555 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.785 -18.649 4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.442 -19.060 2.488 1.00 0.00 H new ATOM 476 N VAL A 29 -16.751 -19.455 -0.373 1.00 0.00 N ATOM 477 CA VAL A 29 -16.533 -18.043 -0.691 1.00 0.00 C ATOM 478 C VAL A 29 -15.606 -17.380 0.331 1.00 0.00 C ATOM 479 O VAL A 29 -15.630 -17.720 1.516 1.00 0.00 O ATOM 480 CB VAL A 29 -17.870 -17.263 -0.739 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.648 -15.825 -1.187 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.871 -17.960 -1.652 1.00 0.00 C ATOM 0 HA VAL A 29 -16.064 -18.011 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.282 -17.244 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.603 -15.300 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.978 -15.325 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.204 -15.818 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.802 -17.394 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.463 -18.020 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.065 -18.966 -1.279 1.00 0.00 H new ATOM 492 N ARG A 30 -14.793 -16.428 -0.138 1.00 0.00 N ATOM 493 CA ARG A 30 -13.861 -15.707 0.731 1.00 0.00 C ATOM 494 C ARG A 30 -14.024 -14.193 0.588 1.00 0.00 C ATOM 495 O ARG A 30 -14.603 -13.708 -0.385 1.00 0.00 O ATOM 496 CB ARG A 30 -12.407 -16.106 0.434 1.00 0.00 C ATOM 497 CG ARG A 30 -12.094 -16.278 -1.048 1.00 0.00 C ATOM 498 CD ARG A 30 -12.356 -17.703 -1.515 1.00 0.00 C ATOM 499 NE ARG A 30 -11.600 -18.689 -0.739 1.00 0.00 N ATOM 500 CZ ARG A 30 -11.965 -19.965 -0.593 1.00 0.00 C ATOM 501 NH1 ARG A 30 -13.064 -20.425 -1.184 1.00 0.00 N ATOM 502 NH2 ARG A 30 -11.224 -20.788 0.140 1.00 0.00 N ATOM 0 H ARG A 30 -14.763 -16.139 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.098 -15.984 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.743 -15.348 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.186 -17.040 0.951 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.701 -15.586 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.051 -16.020 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.421 -17.920 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.091 -17.792 -2.569 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.742 -18.382 -0.282 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.635 -19.802 -1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.335 -21.401 -1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.376 -20.445 0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.503 -21.763 0.252 1.00 0.00 H new ATOM 516 N GLN A 31 -13.505 -13.453 1.569 1.00 0.00 N ATOM 517 CA GLN A 31 -13.583 -11.995 1.572 1.00 0.00 C ATOM 518 C GLN A 31 -12.187 -11.377 1.570 1.00 0.00 C ATOM 519 O GLN A 31 -11.203 -12.045 1.893 1.00 0.00 O ATOM 520 CB GLN A 31 -14.364 -11.512 2.800 1.00 0.00 C ATOM 521 CG GLN A 31 -15.529 -10.594 2.466 1.00 0.00 C ATOM 522 CD GLN A 31 -16.012 -9.799 3.666 1.00 0.00 C ATOM 523 OE1 GLN A 31 -16.826 -10.279 4.455 1.00 0.00 O ATOM 524 NE2 GLN A 31 -15.511 -8.577 3.811 1.00 0.00 N ATOM 0 H GLN A 31 -13.023 -13.846 2.377 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.103 -11.679 0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.741 -12.379 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.682 -10.988 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.229 -9.905 1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.354 -11.189 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.838 -8.218 3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.799 -7.998 4.600 1.00 0.00 H new ATOM 533 N TRP A 32 -12.110 -10.099 1.206 1.00 0.00 N ATOM 534 CA TRP A 32 -10.835 -9.385 1.165 1.00 0.00 C ATOM 535 C TRP A 32 -11.046 -7.873 1.234 1.00 0.00 C ATOM 536 O TRP A 32 -11.984 -7.339 0.639 1.00 0.00 O ATOM 537 CB TRP A 32 -10.047 -9.751 -0.099 1.00 0.00 C ATOM 538 CG TRP A 32 -10.808 -9.532 -1.375 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.000 -8.345 -2.022 1.00 0.00 C ATOM 540 CD2 TRP A 32 -11.476 -10.529 -2.158 1.00 0.00 C ATOM 541 NE1 TRP A 32 -11.746 -8.543 -3.159 1.00 0.00 N ATOM 542 CE2 TRP A 32 -12.051 -9.875 -3.264 1.00 0.00 C ATOM 543 CE3 TRP A 32 -11.645 -11.911 -2.030 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.779 -10.556 -4.235 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -12.367 -12.585 -2.996 1.00 0.00 C ATOM 546 CH2 TRP A 32 -12.927 -11.908 -4.086 1.00 0.00 C ATOM 0 H TRP A 32 -12.916 -9.536 0.935 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.258 -9.690 2.038 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.131 -9.161 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.750 -10.798 -0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.621 -7.390 -1.689 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.027 -7.817 -3.818 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -11.219 -12.442 -1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.212 -10.036 -5.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -12.502 -13.653 -2.909 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -13.487 -12.464 -4.824 1.00 0.00 H new ATOM 557 N SER A 33 -10.161 -7.190 1.960 1.00 0.00 N ATOM 558 CA SER A 33 -10.237 -5.738 2.109 1.00 0.00 C ATOM 559 C SER A 33 -8.842 -5.118 2.013 1.00 0.00 C ATOM 560 O SER A 33 -7.972 -5.412 2.833 1.00 0.00 O ATOM 561 CB SER A 33 -10.890 -5.373 3.449 1.00 0.00 C ATOM 562 OG SER A 33 -11.995 -6.218 3.730 1.00 0.00 O ATOM 0 H SER A 33 -9.381 -7.621 2.455 1.00 0.00 H new ATOM 0 HA SER A 33 -10.851 -5.339 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.154 -5.455 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.220 -4.335 3.424 1.00 0.00 H new ATOM 0 HG SER A 33 -12.806 -5.676 3.823 1.00 0.00 H new ATOM 568 N ILE A 34 -8.633 -4.269 1.000 1.00 0.00 N ATOM 569 CA ILE A 34 -7.337 -3.621 0.798 1.00 0.00 C ATOM 570 C ILE A 34 -7.470 -2.103 0.675 1.00 0.00 C ATOM 571 O ILE A 34 -8.391 -1.597 0.032 1.00 0.00 O ATOM 572 CB ILE A 34 -6.615 -4.175 -0.457 1.00 0.00 C ATOM 573 CG1 ILE A 34 -5.215 -3.562 -0.590 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.433 -3.913 -1.716 1.00 0.00 C ATOM 575 CD1 ILE A 34 -4.239 -4.041 0.462 1.00 0.00 C ATOM 0 H ILE A 34 -9.342 -4.017 0.312 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.741 -3.847 1.682 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.511 -5.253 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.817 -3.798 -1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.296 -2.477 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.905 -4.311 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.404 -4.401 -1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.576 -2.840 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.271 -3.565 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.614 -3.781 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.127 -5.123 0.389 1.00 0.00 H new ATOM 587 N GLU A 35 -6.528 -1.385 1.290 1.00 0.00 N ATOM 588 CA GLU A 35 -6.515 0.075 1.248 1.00 0.00 C ATOM 589 C GLU A 35 -5.084 0.599 1.174 1.00 0.00 C ATOM 590 O GLU A 35 -4.214 0.160 1.928 1.00 0.00 O ATOM 591 CB GLU A 35 -7.230 0.663 2.471 1.00 0.00 C ATOM 592 CG GLU A 35 -6.615 0.261 3.806 1.00 0.00 C ATOM 593 CD GLU A 35 -5.921 1.411 4.518 1.00 0.00 C ATOM 594 OE1 GLU A 35 -6.617 2.210 5.174 1.00 0.00 O ATOM 595 OE2 GLU A 35 -4.679 1.502 4.430 1.00 0.00 O ATOM 0 H GLU A 35 -5.762 -1.795 1.825 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.049 0.390 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.224 1.750 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.273 0.348 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.396 -0.139 4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.896 -0.542 3.640 1.00 0.00 H new ATOM 602 N ILE A 36 -4.852 1.542 0.260 1.00 0.00 N ATOM 603 CA ILE A 36 -3.530 2.139 0.081 1.00 0.00 C ATOM 604 C ILE A 36 -3.559 3.611 0.476 1.00 0.00 C ATOM 605 O ILE A 36 -4.192 4.425 -0.196 1.00 0.00 O ATOM 606 CB ILE A 36 -3.038 2.025 -1.382 1.00 0.00 C ATOM 607 CG1 ILE A 36 -3.469 0.689 -2.007 1.00 0.00 C ATOM 608 CG2 ILE A 36 -1.524 2.190 -1.446 1.00 0.00 C ATOM 609 CD1 ILE A 36 -2.841 -0.527 -1.359 1.00 0.00 C ATOM 0 H ILE A 36 -5.566 1.909 -0.369 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.841 1.589 0.722 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.498 2.826 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.554 0.603 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.213 0.696 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.192 2.107 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.248 3.169 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.048 1.412 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.196 -1.429 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.756 -0.467 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.118 -0.562 -0.305 1.00 0.00 H new ATOM 621 N VAL A 37 -2.883 3.955 1.570 1.00 0.00 N ATOM 622 CA VAL A 37 -2.857 5.338 2.038 1.00 0.00 C ATOM 623 C VAL A 37 -1.426 5.799 2.300 1.00 0.00 C ATOM 624 O VAL A 37 -0.637 5.082 2.919 1.00 0.00 O ATOM 625 CB VAL A 37 -3.708 5.519 3.316 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.831 6.993 3.688 1.00 0.00 C ATOM 627 CG2 VAL A 37 -5.087 4.895 3.141 1.00 0.00 C ATOM 0 H VAL A 37 -2.351 3.301 2.144 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.288 5.953 1.248 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.199 5.005 4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.434 7.091 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.839 7.407 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.308 7.536 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.668 5.035 4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.600 5.374 2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.981 3.829 2.938 1.00 0.00 H new ATOM 637 N LEU A 38 -1.099 6.994 1.813 1.00 0.00 N ATOM 638 CA LEU A 38 0.239 7.555 1.987 1.00 0.00 C ATOM 639 C LEU A 38 0.290 9.028 1.574 1.00 0.00 C ATOM 640 O LEU A 38 -0.693 9.576 1.071 1.00 0.00 O ATOM 641 CB LEU A 38 1.261 6.748 1.180 1.00 0.00 C ATOM 642 CG LEU A 38 0.957 6.617 -0.316 1.00 0.00 C ATOM 643 CD1 LEU A 38 1.570 7.777 -1.086 1.00 0.00 C ATOM 644 CD2 LEU A 38 1.466 5.284 -0.850 1.00 0.00 C ATOM 0 H LEU A 38 -1.742 7.593 1.295 1.00 0.00 H new ATOM 0 HA LEU A 38 0.488 7.495 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.240 7.213 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.330 5.748 1.609 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.124 6.648 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.345 7.669 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.154 8.716 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.651 7.778 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.241 5.209 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.544 5.220 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.977 4.468 -0.317 1.00 0.00 H new ATOM 656 N LEU A 39 1.445 9.662 1.794 1.00 0.00 N ATOM 657 CA LEU A 39 1.629 11.071 1.449 1.00 0.00 C ATOM 658 C LEU A 39 2.675 11.244 0.346 1.00 0.00 C ATOM 659 O LEU A 39 3.499 10.358 0.110 1.00 0.00 O ATOM 660 CB LEU A 39 2.055 11.872 2.688 1.00 0.00 C ATOM 661 CG LEU A 39 0.914 12.384 3.578 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.082 13.202 2.767 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.219 11.223 4.274 1.00 0.00 C ATOM 0 H LEU A 39 2.265 9.221 2.209 1.00 0.00 H new ATOM 0 HA LEU A 39 0.674 11.447 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.710 11.246 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.645 12.727 2.359 1.00 0.00 H new ATOM 0 HG LEU A 39 1.342 13.035 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.881 13.554 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.426 14.058 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.505 12.581 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.587 11.604 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.192 10.544 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.938 10.687 4.894 1.00 0.00 H new ATOM 675 N ASP A 40 2.642 12.403 -0.313 1.00 0.00 N ATOM 676 CA ASP A 40 3.591 12.717 -1.383 1.00 0.00 C ATOM 677 C ASP A 40 3.529 14.199 -1.759 1.00 0.00 C ATOM 678 O ASP A 40 4.564 14.866 -1.831 1.00 0.00 O ATOM 679 CB ASP A 40 3.343 11.842 -2.619 1.00 0.00 C ATOM 680 CG ASP A 40 1.887 11.799 -3.038 1.00 0.00 C ATOM 681 OD1 ASP A 40 1.125 11.005 -2.454 1.00 0.00 O ATOM 682 OD2 ASP A 40 1.513 12.552 -3.954 1.00 0.00 O ATOM 0 H ASP A 40 1.966 13.143 -0.124 1.00 0.00 H new ATOM 0 HA ASP A 40 4.591 12.501 -1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.942 12.218 -3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.685 10.828 -2.413 1.00 0.00 H new ATOM 687 N ASP A 41 2.316 14.712 -1.990 1.00 0.00 N ATOM 688 CA ASP A 41 2.124 16.119 -2.352 1.00 0.00 C ATOM 689 C ASP A 41 2.157 17.043 -1.124 1.00 0.00 C ATOM 690 O ASP A 41 1.980 18.256 -1.254 1.00 0.00 O ATOM 691 CB ASP A 41 0.797 16.293 -3.095 1.00 0.00 C ATOM 692 CG ASP A 41 0.962 16.283 -4.603 1.00 0.00 C ATOM 693 OD1 ASP A 41 0.908 15.189 -5.199 1.00 0.00 O ATOM 694 OD2 ASP A 41 1.142 17.372 -5.188 1.00 0.00 O ATOM 0 H ASP A 41 1.452 14.173 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 41 2.952 16.403 -3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.115 15.494 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.336 17.233 -2.791 1.00 0.00 H new ATOM 699 N GLU A 42 2.388 16.474 0.065 1.00 0.00 N ATOM 700 CA GLU A 42 2.446 17.262 1.293 1.00 0.00 C ATOM 701 C GLU A 42 3.834 17.866 1.492 1.00 0.00 C ATOM 702 O GLU A 42 3.968 18.975 2.011 1.00 0.00 O ATOM 703 CB GLU A 42 2.079 16.393 2.502 1.00 0.00 C ATOM 704 CG GLU A 42 0.830 16.855 3.240 1.00 0.00 C ATOM 705 CD GLU A 42 0.950 18.272 3.771 1.00 0.00 C ATOM 706 OE1 GLU A 42 1.923 18.555 4.503 1.00 0.00 O ATOM 707 OE2 GLU A 42 0.070 19.099 3.457 1.00 0.00 O ATOM 0 H GLU A 42 2.537 15.474 0.199 1.00 0.00 H new ATOM 0 HA GLU A 42 1.725 18.075 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.932 15.366 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.918 16.384 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.026 16.795 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.632 16.177 4.070 1.00 0.00 H new ATOM 714 N GLY A 43 4.868 17.126 1.080 1.00 0.00 N ATOM 715 CA GLY A 43 6.229 17.608 1.227 1.00 0.00 C ATOM 716 C GLY A 43 6.850 18.034 -0.092 1.00 0.00 C ATOM 717 O GLY A 43 6.986 19.228 -0.362 1.00 0.00 O ATOM 0 H GLY A 43 4.783 16.205 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.238 18.452 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.840 16.824 1.675 1.00 0.00 H new ATOM 721 N LYS A 44 7.230 17.052 -0.910 1.00 0.00 N ATOM 722 CA LYS A 44 7.844 17.319 -2.211 1.00 0.00 C ATOM 723 C LYS A 44 6.998 16.734 -3.340 1.00 0.00 C ATOM 724 O LYS A 44 6.892 15.515 -3.477 1.00 0.00 O ATOM 725 CB LYS A 44 9.259 16.731 -2.265 1.00 0.00 C ATOM 726 CG LYS A 44 10.358 17.777 -2.339 1.00 0.00 C ATOM 727 CD LYS A 44 11.319 17.494 -3.485 1.00 0.00 C ATOM 728 CE LYS A 44 12.580 18.341 -3.382 1.00 0.00 C ATOM 729 NZ LYS A 44 13.804 17.570 -3.743 1.00 0.00 N ATOM 0 H LYS A 44 7.123 16.061 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 44 7.902 18.400 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.419 16.112 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.336 16.075 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.914 18.764 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.908 17.797 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.588 16.438 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.823 17.694 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.490 19.206 -4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.679 18.722 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.639 18.185 -3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.905 16.759 -3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.723 17.228 -4.722 1.00 0.00 H new ATOM 743 N GLU A 45 6.404 17.610 -4.148 1.00 0.00 N ATOM 744 CA GLU A 45 5.570 17.179 -5.272 1.00 0.00 C ATOM 745 C GLU A 45 6.304 17.355 -6.606 1.00 0.00 C ATOM 746 O GLU A 45 5.680 17.597 -7.642 1.00 0.00 O ATOM 747 CB GLU A 45 4.251 17.964 -5.285 1.00 0.00 C ATOM 748 CG GLU A 45 4.426 19.473 -5.406 1.00 0.00 C ATOM 749 CD GLU A 45 3.124 20.231 -5.227 1.00 0.00 C ATOM 750 OE1 GLU A 45 2.573 20.209 -4.106 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.655 20.845 -6.207 1.00 0.00 O ATOM 0 H GLU A 45 6.484 18.622 -4.047 1.00 0.00 H new ATOM 0 HA GLU A 45 5.352 16.119 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.639 17.612 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.701 17.745 -4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.144 19.812 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.847 19.708 -6.384 1.00 0.00 H new ATOM 758 N ILE A 46 7.635 17.233 -6.577 1.00 0.00 N ATOM 759 CA ILE A 46 8.448 17.383 -7.782 1.00 0.00 C ATOM 760 C ILE A 46 9.460 16.243 -7.915 1.00 0.00 C ATOM 761 O ILE A 46 10.262 16.008 -7.009 1.00 0.00 O ATOM 762 CB ILE A 46 9.206 18.732 -7.784 1.00 0.00 C ATOM 763 CG1 ILE A 46 8.255 19.892 -7.466 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.892 18.958 -9.128 1.00 0.00 C ATOM 765 CD1 ILE A 46 8.957 21.117 -6.919 1.00 0.00 C ATOM 0 H ILE A 46 8.169 17.031 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 46 7.763 17.355 -8.630 1.00 0.00 H new ATOM 0 HB ILE A 46 9.969 18.694 -7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.715 20.167 -8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.513 19.555 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.420 19.911 -9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.603 18.153 -9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.144 18.972 -9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.223 21.897 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.475 20.858 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.679 21.479 -7.650 1.00 0.00 H new ATOM 777 N PRO A 47 9.438 15.520 -9.055 1.00 0.00 N ATOM 778 CA PRO A 47 10.360 14.404 -9.310 1.00 0.00 C ATOM 779 C PRO A 47 11.785 14.877 -9.611 1.00 0.00 C ATOM 780 O PRO A 47 12.019 16.068 -9.830 1.00 0.00 O ATOM 781 CB PRO A 47 9.754 13.719 -10.537 1.00 0.00 C ATOM 782 CG PRO A 47 9.023 14.802 -11.251 1.00 0.00 C ATOM 783 CD PRO A 47 8.512 15.737 -10.186 1.00 0.00 C ATOM 0 HA PRO A 47 10.457 13.751 -8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.527 13.280 -11.168 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.082 12.911 -10.248 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.682 15.325 -11.944 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.200 14.395 -11.839 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.527 16.774 -10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.483 15.506 -9.911 1.00 0.00 H new ATOM 791 N ALA A 48 12.732 13.936 -9.621 1.00 0.00 N ATOM 792 CA ALA A 48 14.135 14.253 -9.896 1.00 0.00 C ATOM 793 C ALA A 48 14.886 13.046 -10.463 1.00 0.00 C ATOM 794 O ALA A 48 15.545 13.153 -11.497 1.00 0.00 O ATOM 795 CB ALA A 48 14.821 14.762 -8.636 1.00 0.00 C ATOM 0 H ALA A 48 12.552 12.948 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 48 14.155 15.039 -10.651 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.863 14.993 -8.857 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.316 15.662 -8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.776 13.996 -7.862 1.00 0.00 H new ATOM 801 N THR A 49 14.778 11.900 -9.784 1.00 0.00 N ATOM 802 CA THR A 49 15.445 10.676 -10.231 1.00 0.00 C ATOM 803 C THR A 49 14.426 9.558 -10.463 1.00 0.00 C ATOM 804 O THR A 49 14.197 9.151 -11.602 1.00 0.00 O ATOM 805 CB THR A 49 16.506 10.223 -9.217 1.00 0.00 C ATOM 806 OG1 THR A 49 15.992 10.226 -7.894 1.00 0.00 O ATOM 807 CG2 THR A 49 17.753 11.082 -9.230 1.00 0.00 C ATOM 0 H THR A 49 14.237 11.795 -8.926 1.00 0.00 H new ATOM 0 HA THR A 49 15.944 10.895 -11.175 1.00 0.00 H new ATOM 0 HB THR A 49 16.774 9.212 -9.525 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.704 10.472 -7.267 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.461 10.707 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 49 18.209 11.047 -10.219 1.00 0.00 H new ATOM 0 HG23 THR A 49 17.488 12.112 -8.989 1.00 0.00 H new ATOM 815 N ILE A 50 13.813 9.074 -9.378 1.00 0.00 N ATOM 816 CA ILE A 50 12.813 8.011 -9.473 1.00 0.00 C ATOM 817 C ILE A 50 11.502 8.420 -8.786 1.00 0.00 C ATOM 818 O ILE A 50 10.627 8.998 -9.431 1.00 0.00 O ATOM 819 CB ILE A 50 13.324 6.664 -8.893 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.392 6.886 -7.813 1.00 0.00 C ATOM 821 CG2 ILE A 50 13.877 5.786 -10.006 1.00 0.00 C ATOM 822 CD1 ILE A 50 14.472 5.760 -6.804 1.00 0.00 C ATOM 0 H ILE A 50 13.992 9.401 -8.429 1.00 0.00 H new ATOM 0 HA ILE A 50 12.622 7.860 -10.536 1.00 0.00 H new ATOM 0 HB ILE A 50 12.477 6.160 -8.428 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.364 7.004 -8.293 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.180 7.818 -7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.232 4.845 -9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.092 5.584 -10.735 1.00 0.00 H new ATOM 0 HG23 ILE A 50 14.704 6.299 -10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.247 5.983 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.512 5.656 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.714 4.829 -7.316 1.00 0.00 H new ATOM 834 N PHE A 51 11.371 8.129 -7.483 1.00 0.00 N ATOM 835 CA PHE A 51 10.168 8.475 -6.718 1.00 0.00 C ATOM 836 C PHE A 51 8.910 7.858 -7.339 1.00 0.00 C ATOM 837 O PHE A 51 8.313 8.423 -8.256 1.00 0.00 O ATOM 838 CB PHE A 51 10.024 10.001 -6.609 1.00 0.00 C ATOM 839 CG PHE A 51 8.747 10.459 -5.946 1.00 0.00 C ATOM 840 CD1 PHE A 51 8.270 9.834 -4.802 1.00 0.00 C ATOM 841 CD2 PHE A 51 8.021 11.517 -6.472 1.00 0.00 C ATOM 842 CE1 PHE A 51 7.100 10.256 -4.197 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.852 11.943 -5.872 1.00 0.00 C ATOM 844 CZ PHE A 51 6.390 11.310 -4.735 1.00 0.00 C ATOM 0 H PHE A 51 12.088 7.652 -6.937 1.00 0.00 H new ATOM 0 HA PHE A 51 10.279 8.060 -5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.872 10.395 -6.049 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.075 10.431 -7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.820 9.007 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.374 12.015 -7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.743 9.762 -3.306 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.300 12.771 -6.292 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.474 11.639 -4.267 1.00 0.00 H new ATOM 854 N ASP A 52 8.508 6.698 -6.817 1.00 0.00 N ATOM 855 CA ASP A 52 7.320 5.999 -7.301 1.00 0.00 C ATOM 856 C ASP A 52 6.903 4.908 -6.322 1.00 0.00 C ATOM 857 O ASP A 52 7.704 4.042 -5.964 1.00 0.00 O ATOM 858 CB ASP A 52 7.564 5.391 -8.685 1.00 0.00 C ATOM 859 CG ASP A 52 6.329 5.458 -9.565 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.365 4.708 -9.295 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.323 6.263 -10.518 1.00 0.00 O ATOM 0 H ASP A 52 8.992 6.222 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 52 6.515 6.730 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.384 5.918 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.874 4.352 -8.574 1.00 0.00 H new ATOM 866 N LYS A 53 5.649 4.956 -5.893 1.00 0.00 N ATOM 867 CA LYS A 53 5.124 3.974 -4.953 1.00 0.00 C ATOM 868 C LYS A 53 4.101 3.074 -5.641 1.00 0.00 C ATOM 869 O LYS A 53 2.976 3.493 -5.914 1.00 0.00 O ATOM 870 CB LYS A 53 4.498 4.679 -3.740 1.00 0.00 C ATOM 871 CG LYS A 53 5.315 5.856 -3.212 1.00 0.00 C ATOM 872 CD LYS A 53 5.002 7.147 -3.958 1.00 0.00 C ATOM 873 CE LYS A 53 4.261 8.142 -3.076 1.00 0.00 C ATOM 874 NZ LYS A 53 3.248 8.921 -3.844 1.00 0.00 N ATOM 0 H LYS A 53 4.975 5.665 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 53 5.947 3.351 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.504 5.034 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.368 3.952 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.111 5.992 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.377 5.631 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.930 7.596 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.400 6.922 -4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.768 7.609 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.977 8.827 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.469 9.196 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.692 9.775 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.875 8.336 -4.619 1.00 0.00 H new ATOM 888 N VAL A 54 4.505 1.837 -5.933 1.00 0.00 N ATOM 889 CA VAL A 54 3.633 0.876 -6.606 1.00 0.00 C ATOM 890 C VAL A 54 3.150 -0.208 -5.643 1.00 0.00 C ATOM 891 O VAL A 54 3.911 -0.684 -4.798 1.00 0.00 O ATOM 892 CB VAL A 54 4.349 0.207 -7.800 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.365 -0.603 -8.629 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.050 1.248 -8.663 1.00 0.00 C ATOM 0 H VAL A 54 5.434 1.477 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 54 2.773 1.436 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 54 5.105 -0.472 -7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.889 -1.066 -9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.917 -1.378 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.583 0.054 -9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.547 0.754 -9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.316 1.957 -9.046 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.789 1.780 -8.064 1.00 0.00 H new ATOM 904 N ILE A 55 1.882 -0.598 -5.779 1.00 0.00 N ATOM 905 CA ILE A 55 1.297 -1.629 -4.922 1.00 0.00 C ATOM 906 C ILE A 55 0.722 -2.779 -5.749 1.00 0.00 C ATOM 907 O ILE A 55 0.138 -2.565 -6.811 1.00 0.00 O ATOM 908 CB ILE A 55 0.187 -1.055 -4.014 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.658 0.235 -3.336 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.231 -2.084 -2.970 1.00 0.00 C ATOM 911 CD1 ILE A 55 0.247 1.490 -4.075 1.00 0.00 C ATOM 0 H ILE A 55 1.241 -0.216 -6.474 1.00 0.00 H new ATOM 0 HA ILE A 55 2.105 -2.006 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.678 -0.820 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.257 0.271 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.744 0.214 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.014 -1.664 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.608 -2.977 -3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.629 -2.348 -2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.614 2.365 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.671 1.476 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.840 1.534 -4.140 1.00 0.00 H new ATOM 923 N TYR A 56 0.895 -4.000 -5.250 1.00 0.00 N ATOM 924 CA TYR A 56 0.397 -5.191 -5.930 1.00 0.00 C ATOM 925 C TYR A 56 -0.422 -6.055 -4.977 1.00 0.00 C ATOM 926 O TYR A 56 -0.232 -6.002 -3.760 1.00 0.00 O ATOM 927 CB TYR A 56 1.564 -6.003 -6.502 1.00 0.00 C ATOM 928 CG TYR A 56 2.027 -5.527 -7.863 1.00 0.00 C ATOM 929 CD1 TYR A 56 2.721 -4.331 -8.004 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.775 -6.277 -9.004 1.00 0.00 C ATOM 931 CE1 TYR A 56 3.147 -3.895 -9.244 1.00 0.00 C ATOM 932 CE2 TYR A 56 2.197 -5.847 -10.248 1.00 0.00 C ATOM 933 CZ TYR A 56 2.882 -4.657 -10.362 1.00 0.00 C ATOM 934 OH TYR A 56 3.304 -4.224 -11.600 1.00 0.00 O ATOM 0 H TYR A 56 1.379 -4.190 -4.373 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.248 -4.872 -6.748 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.402 -5.958 -5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.266 -7.049 -6.575 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.931 -3.733 -7.130 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.241 -7.212 -8.918 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.684 -2.963 -9.337 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.991 -6.441 -11.126 1.00 0.00 H new ATOM 0 HH TYR A 56 3.039 -4.876 -12.282 1.00 0.00 H new ATOM 944 N HIS A 57 -1.332 -6.849 -5.537 1.00 0.00 N ATOM 945 CA HIS A 57 -2.186 -7.728 -4.741 1.00 0.00 C ATOM 946 C HIS A 57 -2.856 -8.778 -5.625 1.00 0.00 C ATOM 947 O HIS A 57 -3.311 -8.465 -6.728 1.00 0.00 O ATOM 948 CB HIS A 57 -3.248 -6.912 -3.994 1.00 0.00 C ATOM 949 CG HIS A 57 -4.043 -5.995 -4.876 1.00 0.00 C ATOM 950 ND1 HIS A 57 -5.210 -6.377 -5.502 1.00 0.00 N ATOM 951 CD2 HIS A 57 -3.830 -4.706 -5.234 1.00 0.00 C ATOM 952 CE1 HIS A 57 -5.680 -5.364 -6.208 1.00 0.00 C ATOM 953 NE2 HIS A 57 -4.862 -4.338 -6.061 1.00 0.00 N ATOM 0 H HIS A 57 -1.497 -6.902 -6.542 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.559 -8.240 -4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.930 -7.597 -3.490 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.759 -6.321 -3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.003 -4.084 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.580 -5.374 -6.804 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.978 -3.421 -6.492 1.00 0.00 H new ATOM 962 N LEU A 58 -2.900 -10.025 -5.143 1.00 0.00 N ATOM 963 CA LEU A 58 -3.504 -11.131 -5.890 1.00 0.00 C ATOM 964 C LEU A 58 -2.590 -11.569 -7.037 1.00 0.00 C ATOM 965 O LEU A 58 -1.558 -10.943 -7.293 1.00 0.00 O ATOM 966 CB LEU A 58 -4.885 -10.735 -6.437 1.00 0.00 C ATOM 967 CG LEU A 58 -6.012 -11.734 -6.164 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.630 -11.485 -4.797 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.072 -11.646 -7.253 1.00 0.00 C ATOM 0 H LEU A 58 -2.522 -10.293 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.632 -11.968 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.164 -9.773 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.803 -10.592 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.591 -12.739 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.429 -12.206 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.867 -11.596 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.038 -10.475 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.867 -12.362 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.488 -10.639 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.621 -11.874 -8.219 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.645 -3.658 -11.663 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.327 -3.552 -10.229 1.00 0.00 C ATOM 1073 C PRO A 65 -2.485 -2.124 -9.697 1.00 0.00 C ATOM 1074 O PRO A 65 -2.945 -1.231 -10.412 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.860 -3.997 -10.148 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.612 -4.751 -11.409 1.00 0.00 C ATOM 1077 CD PRO A 65 -1.482 -4.105 -12.446 1.00 0.00 C ATOM 0 HA PRO A 65 -3.001 -4.156 -9.621 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.192 -3.140 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.686 -4.624 -9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.439 -4.702 -11.694 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.861 -5.805 -11.290 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.978 -3.271 -12.934 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.767 -4.807 -13.229 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.101 -1.915 -8.436 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.206 -0.597 -7.808 1.00 0.00 C ATOM 1087 C ASN A 66 -0.957 0.251 -8.067 1.00 0.00 C ATOM 1088 O ASN A 66 0.145 -0.275 -8.233 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.447 -0.736 -6.300 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.923 -0.809 -5.944 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.792 -0.651 -6.801 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.216 -1.049 -4.670 1.00 0.00 N ATOM 0 H ASN A 66 -1.715 -2.640 -7.831 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.058 -0.087 -8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.946 -1.634 -5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.995 0.112 -5.785 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.190 -1.108 -4.373 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.467 -1.174 -3.989 1.00 0.00 H new ATOM 1099 N ARG A 67 -1.145 1.571 -8.099 1.00 0.00 N ATOM 1100 CA ARG A 67 -0.048 2.508 -8.338 1.00 0.00 C ATOM 1101 C ARG A 67 -0.312 3.843 -7.646 1.00 0.00 C ATOM 1102 O ARG A 67 -1.429 4.363 -7.692 1.00 0.00 O ATOM 1103 CB ARG A 67 0.141 2.729 -9.844 1.00 0.00 C ATOM 1104 CG ARG A 67 1.539 2.399 -10.342 1.00 0.00 C ATOM 1105 CD ARG A 67 1.498 1.619 -11.649 1.00 0.00 C ATOM 1106 NE ARG A 67 2.510 0.563 -11.693 1.00 0.00 N ATOM 1107 CZ ARG A 67 2.602 -0.346 -12.667 1.00 0.00 C ATOM 1108 NH1 ARG A 67 1.765 -0.319 -13.701 1.00 0.00 N ATOM 1109 NH2 ARG A 67 3.540 -1.283 -12.609 1.00 0.00 N ATOM 0 H ARG A 67 -2.052 2.017 -7.962 1.00 0.00 H new ATOM 0 HA ARG A 67 0.863 2.078 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.581 2.117 -10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.082 3.769 -10.080 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.102 3.321 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.067 1.817 -9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.509 1.178 -11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.652 2.303 -12.484 1.00 0.00 H new ATOM 0 HE ARG A 67 3.188 0.518 -10.932 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.044 0.401 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.844 -1.018 -14.440 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.188 -1.308 -11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.613 -1.979 -13.351 1.00 0.00 H new ATOM 1123 N THR A 68 0.718 4.395 -7.007 1.00 0.00 N ATOM 1124 CA THR A 68 0.593 5.670 -6.309 1.00 0.00 C ATOM 1125 C THR A 68 1.702 6.634 -6.724 1.00 0.00 C ATOM 1126 O THR A 68 2.865 6.460 -6.352 1.00 0.00 O ATOM 1127 CB THR A 68 0.619 5.458 -4.792 1.00 0.00 C ATOM 1128 OG1 THR A 68 -0.305 4.455 -4.407 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.288 6.710 -4.008 1.00 0.00 C ATOM 0 H THR A 68 1.648 3.978 -6.959 1.00 0.00 H new ATOM 0 HA THR A 68 -0.365 6.110 -6.586 1.00 0.00 H new ATOM 0 HB THR A 68 1.642 5.161 -4.561 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.271 4.334 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.324 6.491 -2.941 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.013 7.489 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.712 7.053 -4.275 1.00 0.00 H new ATOM 1137 N PHE A 69 1.327 7.654 -7.493 1.00 0.00 N ATOM 1138 CA PHE A 69 2.271 8.665 -7.966 1.00 0.00 C ATOM 1139 C PHE A 69 1.615 10.049 -7.956 1.00 0.00 C ATOM 1140 O PHE A 69 2.142 10.985 -7.354 1.00 0.00 O ATOM 1141 CB PHE A 69 2.766 8.312 -9.374 1.00 0.00 C ATOM 1142 CG PHE A 69 3.861 9.214 -9.880 1.00 0.00 C ATOM 1143 CD1 PHE A 69 5.141 9.143 -9.349 1.00 0.00 C ATOM 1144 CD2 PHE A 69 3.611 10.132 -10.888 1.00 0.00 C ATOM 1145 CE1 PHE A 69 6.146 9.970 -9.815 1.00 0.00 C ATOM 1146 CE2 PHE A 69 4.613 10.960 -11.357 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.882 10.878 -10.820 1.00 0.00 C ATOM 0 H PHE A 69 0.367 7.803 -7.804 1.00 0.00 H new ATOM 0 HA PHE A 69 3.129 8.686 -7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.127 7.283 -9.374 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.925 8.355 -10.066 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.354 8.434 -8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.620 10.201 -11.312 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.138 9.905 -9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.403 11.671 -12.143 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.667 11.523 -11.186 1.00 0.00 H new ATOM 1157 N THR A 70 0.459 10.161 -8.618 1.00 0.00 N ATOM 1158 CA THR A 70 -0.283 11.425 -8.680 1.00 0.00 C ATOM 1159 C THR A 70 -1.797 11.186 -8.554 1.00 0.00 C ATOM 1160 O THR A 70 -2.599 11.902 -9.158 1.00 0.00 O ATOM 1161 CB THR A 70 0.026 12.169 -9.989 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.001 11.284 -11.100 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.372 12.864 -9.985 1.00 0.00 C ATOM 0 H THR A 70 0.016 9.391 -9.119 1.00 0.00 H new ATOM 0 HA THR A 70 0.038 12.041 -7.840 1.00 0.00 H new ATOM 0 HB THR A 70 -0.755 12.925 -10.073 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.199 11.783 -11.920 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.524 13.368 -10.939 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.401 13.597 -9.179 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.161 12.128 -9.834 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.179 10.175 -7.765 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.592 9.839 -7.562 1.00 0.00 C ATOM 1173 C ASP A 71 -3.927 9.721 -6.071 1.00 0.00 C ATOM 1174 O ASP A 71 -3.030 9.606 -5.234 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.928 8.525 -8.277 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.607 8.748 -9.615 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.937 9.242 -10.545 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.811 8.432 -9.730 1.00 0.00 O ATOM 0 H ASP A 71 -1.529 9.576 -7.257 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.193 10.645 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.012 7.953 -8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.577 7.924 -7.640 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.235 9.745 -5.722 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.690 9.639 -4.326 1.00 0.00 C ATOM 1185 C PRO A 72 -5.487 8.237 -3.743 1.00 0.00 C ATOM 1186 O PRO A 72 -5.189 7.290 -4.476 1.00 0.00 O ATOM 1187 CB PRO A 72 -7.182 9.973 -4.416 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.570 9.597 -5.803 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.368 9.878 -6.660 1.00 0.00 C ATOM 0 HA PRO A 72 -5.128 10.299 -3.665 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.758 9.414 -3.678 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.363 11.031 -4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.851 8.545 -5.858 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.431 10.175 -6.137 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.290 9.171 -7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.412 10.875 -7.097 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.643 8.085 -2.411 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.474 6.792 -1.734 1.00 0.00 C ATOM 1199 C PRO A 73 -6.588 5.796 -2.068 1.00 0.00 C ATOM 1200 O PRO A 73 -7.660 6.183 -2.538 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.511 7.160 -0.249 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.300 8.422 -0.191 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.994 9.163 -1.462 1.00 0.00 C ATOM 0 HA PRO A 73 -4.555 6.294 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.979 6.373 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.506 7.303 0.149 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.366 8.212 -0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.024 9.014 0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.852 9.739 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.171 9.865 -1.329 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.323 4.513 -1.818 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.295 3.454 -2.090 1.00 0.00 C ATOM 1213 C PHE A 74 -7.930 2.940 -0.797 1.00 0.00 C ATOM 1214 O PHE A 74 -7.333 3.033 0.277 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.625 2.293 -2.831 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.483 2.518 -4.311 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.577 2.384 -5.154 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.258 2.860 -4.860 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -7.449 2.589 -6.514 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -5.125 3.064 -6.221 1.00 0.00 C ATOM 1221 CZ PHE A 74 -6.222 2.929 -7.048 1.00 0.00 C ATOM 0 H PHE A 74 -5.441 4.182 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.080 3.877 -2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.637 2.123 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.205 1.385 -2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.539 2.117 -4.742 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.397 2.969 -4.217 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.308 2.483 -7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.164 3.329 -6.637 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.121 3.089 -8.111 1.00 0.00 H new ATOM 1231 N ARG A 75 -9.141 2.394 -0.914 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.864 1.857 0.237 1.00 0.00 C ATOM 1233 C ARG A 75 -11.129 1.122 -0.216 1.00 0.00 C ATOM 1234 O ARG A 75 -12.245 1.610 -0.024 1.00 0.00 O ATOM 1235 CB ARG A 75 -10.224 2.984 1.213 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.143 2.573 2.674 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.141 3.425 3.441 1.00 0.00 C ATOM 1238 NE ARG A 75 -9.792 4.483 4.212 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.564 4.266 5.282 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -10.779 3.029 5.723 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.122 5.292 5.913 1.00 0.00 N ATOM 0 H ARG A 75 -9.643 2.312 -1.798 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.216 1.145 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.554 3.827 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.235 3.331 0.997 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.127 2.665 3.134 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.857 1.524 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.566 2.789 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.434 3.870 2.741 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.648 5.448 3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.353 2.236 5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.370 2.874 6.540 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.961 6.243 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.711 5.129 6.729 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.946 -0.051 -0.827 1.00 0.00 N ATOM 1256 CA ILE A 76 -12.072 -0.847 -1.317 1.00 0.00 C ATOM 1257 C ILE A 76 -11.971 -2.302 -0.854 1.00 0.00 C ATOM 1258 O ILE A 76 -10.882 -2.884 -0.828 1.00 0.00 O ATOM 1259 CB ILE A 76 -12.162 -0.818 -2.862 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -12.102 0.622 -3.384 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -13.441 -1.499 -3.338 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -10.942 0.878 -4.322 1.00 0.00 C ATOM 0 H ILE A 76 -10.031 -0.469 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.973 -0.397 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.307 -1.365 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.034 0.852 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.031 1.304 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -13.486 -1.468 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.447 -2.536 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.305 -0.980 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.963 1.917 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.004 0.681 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.023 0.221 -5.188 1.00 0.00 H new ATOM 1274 N GLU A 77 -13.118 -2.884 -0.501 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.177 -4.272 -0.050 1.00 0.00 C ATOM 1276 C GLU A 77 -14.302 -5.020 -0.764 1.00 0.00 C ATOM 1277 O GLU A 77 -15.393 -4.478 -0.960 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.373 -4.338 1.469 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.637 -3.644 1.963 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.972 -3.983 3.405 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -14.896 -5.175 3.775 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -15.313 -3.054 4.168 1.00 0.00 O ATOM 0 H GLU A 77 -14.022 -2.412 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.230 -4.752 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.402 -5.383 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.509 -3.886 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.514 -2.565 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.474 -3.927 1.325 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.029 -6.264 -1.159 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.017 -7.081 -1.860 1.00 0.00 C ATOM 1291 C GLU A 78 -14.977 -8.534 -1.388 1.00 0.00 C ATOM 1292 O GLU A 78 -14.045 -8.952 -0.698 1.00 0.00 O ATOM 1293 CB GLU A 78 -14.780 -7.013 -3.371 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.600 -5.939 -4.070 1.00 0.00 C ATOM 1295 CD GLU A 78 -14.924 -5.411 -5.321 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -14.711 -6.204 -6.263 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -14.608 -4.202 -5.359 1.00 0.00 O ATOM 0 H GLU A 78 -13.133 -6.726 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.005 -6.681 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.722 -6.828 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.016 -7.982 -3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.576 -6.346 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.775 -5.114 -3.380 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.001 -9.299 -1.772 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.100 -10.709 -1.399 1.00 0.00 C ATOM 1306 C GLN A 79 -16.380 -11.579 -2.627 1.00 0.00 C ATOM 1307 O GLN A 79 -17.142 -11.189 -3.514 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.200 -10.908 -0.349 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.602 -10.585 -0.849 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.476 -9.954 0.222 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.510 -10.504 0.598 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.066 -8.790 0.717 1.00 0.00 N ATOM 0 H GLN A 79 -16.776 -8.962 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.145 -11.015 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.177 -11.942 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.980 -10.281 0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.533 -9.908 -1.701 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -19.076 -11.499 -1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.202 -8.367 0.378 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.616 -8.320 1.436 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.759 -12.757 -2.667 1.00 0.00 N ATOM 1322 CA GLY A 80 -15.948 -13.667 -3.784 1.00 0.00 C ATOM 1323 C GLY A 80 -14.968 -14.825 -3.765 1.00 0.00 C ATOM 1324 O GLY A 80 -14.786 -15.472 -2.733 1.00 0.00 O ATOM 0 H GLY A 80 -15.127 -13.097 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.966 -14.057 -3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.837 -13.117 -4.719 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.337 -15.088 -4.907 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.372 -16.179 -5.015 1.00 0.00 C ATOM 1330 C TRP A 81 -11.998 -15.651 -5.422 1.00 0.00 C ATOM 1331 O TRP A 81 -11.801 -15.208 -6.554 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.857 -17.223 -6.024 1.00 0.00 C ATOM 1333 CG TRP A 81 -15.233 -17.748 -5.734 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.713 -18.166 -4.525 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -16.306 -17.909 -6.669 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -17.018 -18.575 -4.653 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -17.405 -18.428 -5.960 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -16.445 -17.663 -8.040 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -18.625 -18.705 -6.573 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -17.656 -17.941 -8.647 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -18.732 -18.455 -7.914 1.00 0.00 C ATOM 0 H TRP A 81 -14.476 -14.561 -5.769 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.283 -16.651 -4.037 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.848 -16.783 -7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -13.155 -18.057 -6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.149 -18.174 -3.604 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -17.604 -18.931 -3.898 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -15.622 -17.263 -8.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -19.456 -19.103 -6.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -17.774 -17.758 -9.705 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -19.666 -18.658 -8.417 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.054 -15.706 -4.485 1.00 0.00 N ATOM 1353 CA GLY A 82 -9.705 -15.237 -4.748 1.00 0.00 C ATOM 1354 C GLY A 82 -8.691 -15.821 -3.781 1.00 0.00 C ATOM 1355 O GLY A 82 -8.614 -17.041 -3.620 1.00 0.00 O ATOM 0 H GLY A 82 -11.202 -16.069 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.424 -15.500 -5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.682 -14.149 -4.682 1.00 0.00 H new ATOM 1359 N GLY A 83 -7.918 -14.949 -3.135 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.918 -15.400 -2.184 1.00 0.00 C ATOM 1361 C GLY A 83 -5.550 -15.577 -2.817 1.00 0.00 C ATOM 1362 O GLY A 83 -5.249 -16.638 -3.367 1.00 0.00 O ATOM 0 H GLY A 83 -7.968 -13.937 -3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.847 -14.680 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.238 -16.346 -1.747 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.717 -14.538 -2.733 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.369 -14.579 -3.296 1.00 0.00 C ATOM 1368 C PHE A 84 -2.448 -13.575 -2.595 1.00 0.00 C ATOM 1369 O PHE A 84 -2.907 -12.747 -1.804 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.422 -14.308 -4.805 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.516 -15.561 -5.635 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.666 -16.631 -5.400 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -4.461 -15.670 -6.642 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -2.754 -17.783 -6.155 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -4.553 -16.822 -7.401 1.00 0.00 C ATOM 1376 CZ PHE A 84 -3.699 -17.879 -7.157 1.00 0.00 C ATOM 0 H PHE A 84 -4.955 -13.656 -2.279 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.957 -15.575 -3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.280 -13.672 -5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.531 -13.753 -5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.926 -16.562 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.133 -14.847 -6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.085 -18.608 -5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.293 -16.895 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.770 -18.780 -7.749 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.126 -13.643 -2.862 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.139 -12.744 -2.238 1.00 0.00 C ATOM 1388 C PRO A 85 -0.208 -11.311 -2.762 1.00 0.00 C ATOM 1389 O PRO A 85 -0.923 -11.020 -3.721 1.00 0.00 O ATOM 1390 CB PRO A 85 1.198 -13.382 -2.611 1.00 0.00 C ATOM 1391 CG PRO A 85 0.931 -14.119 -3.876 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.486 -14.612 -3.775 1.00 0.00 C ATOM 0 HA PRO A 85 -0.309 -12.649 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.971 -12.626 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.547 -14.055 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.057 -13.468 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.626 -14.950 -3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.975 -14.629 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.530 -15.626 -3.378 1.00 0.00 H new ATOM 1400 N LEU A 86 0.552 -10.422 -2.121 1.00 0.00 N ATOM 1401 CA LEU A 86 0.601 -9.011 -2.501 1.00 0.00 C ATOM 1402 C LEU A 86 1.999 -8.438 -2.257 1.00 0.00 C ATOM 1403 O LEU A 86 2.778 -9.000 -1.485 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.448 -8.209 -1.718 1.00 0.00 C ATOM 1405 CG LEU A 86 -0.494 -8.473 -0.207 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.019 -7.250 0.526 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.354 -9.691 0.101 1.00 0.00 C ATOM 0 H LEU A 86 1.148 -10.659 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 86 0.376 -8.933 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.260 -7.147 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.431 -8.425 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 86 0.520 -8.677 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.046 -7.451 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.363 -6.401 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.025 -7.019 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.373 -9.860 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.369 -9.520 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.937 -10.566 -0.397 1.00 0.00 H new ATOM 1419 N ASP A 87 2.317 -7.325 -2.922 1.00 0.00 N ATOM 1420 CA ASP A 87 3.629 -6.692 -2.775 1.00 0.00 C ATOM 1421 C ASP A 87 3.542 -5.178 -2.967 1.00 0.00 C ATOM 1422 O ASP A 87 3.161 -4.701 -4.037 1.00 0.00 O ATOM 1423 CB ASP A 87 4.621 -7.289 -3.782 1.00 0.00 C ATOM 1424 CG ASP A 87 6.053 -6.827 -3.550 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.416 -6.554 -2.385 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.809 -6.738 -4.538 1.00 0.00 O ATOM 0 H ASP A 87 1.687 -6.845 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 87 3.981 -6.886 -1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.581 -8.377 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.315 -7.014 -4.792 1.00 0.00 H new ATOM 1431 N ILE A 88 3.906 -4.429 -1.927 1.00 0.00 N ATOM 1432 CA ILE A 88 3.875 -2.968 -1.984 1.00 0.00 C ATOM 1433 C ILE A 88 5.292 -2.391 -1.967 1.00 0.00 C ATOM 1434 O ILE A 88 6.015 -2.522 -0.978 1.00 0.00 O ATOM 1435 CB ILE A 88 3.049 -2.374 -0.820 1.00 0.00 C ATOM 1436 CG1 ILE A 88 3.034 -0.845 -0.898 1.00 0.00 C ATOM 1437 CG2 ILE A 88 3.591 -2.838 0.526 1.00 0.00 C ATOM 1438 CD1 ILE A 88 1.773 -0.223 -0.340 1.00 0.00 C ATOM 0 H ILE A 88 4.225 -4.809 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 88 3.393 -2.691 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 88 2.025 -2.735 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.894 -0.453 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.149 -0.541 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.992 -2.406 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.542 -3.925 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.627 -2.515 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.833 0.862 -0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.910 -0.586 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.666 -0.496 0.710 1.00 0.00 H new ATOM 1450 N SER A 89 5.684 -1.759 -3.072 1.00 0.00 N ATOM 1451 CA SER A 89 7.013 -1.166 -3.194 1.00 0.00 C ATOM 1452 C SER A 89 6.937 0.360 -3.202 1.00 0.00 C ATOM 1453 O SER A 89 6.096 0.944 -3.887 1.00 0.00 O ATOM 1454 CB SER A 89 7.700 -1.666 -4.469 1.00 0.00 C ATOM 1455 OG SER A 89 7.147 -1.065 -5.631 1.00 0.00 O ATOM 0 H SER A 89 5.097 -1.645 -3.898 1.00 0.00 H new ATOM 0 HA SER A 89 7.600 -1.472 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.767 -1.447 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.600 -2.749 -4.536 1.00 0.00 H new ATOM 0 HG SER A 89 7.609 -1.404 -6.426 1.00 0.00 H new ATOM 1461 N VAL A 90 7.820 0.998 -2.439 1.00 0.00 N ATOM 1462 CA VAL A 90 7.855 2.454 -2.362 1.00 0.00 C ATOM 1463 C VAL A 90 9.228 2.991 -2.771 1.00 0.00 C ATOM 1464 O VAL A 90 10.257 2.423 -2.408 1.00 0.00 O ATOM 1465 CB VAL A 90 7.481 2.958 -0.943 1.00 0.00 C ATOM 1466 CG1 VAL A 90 8.645 2.833 0.026 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.972 4.392 -0.993 1.00 0.00 C ATOM 0 H VAL A 90 8.521 0.529 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 90 7.111 2.834 -3.062 1.00 0.00 H new ATOM 0 HB VAL A 90 6.678 2.320 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.342 3.196 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.944 1.788 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 90 9.485 3.425 -0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.716 4.723 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.748 5.039 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.087 4.442 -1.627 1.00 0.00 H new ATOM 1477 N PHE A 91 9.227 4.083 -3.537 1.00 0.00 N ATOM 1478 CA PHE A 91 10.465 4.706 -4.005 1.00 0.00 C ATOM 1479 C PHE A 91 10.404 6.224 -3.824 1.00 0.00 C ATOM 1480 O PHE A 91 9.317 6.802 -3.741 1.00 0.00 O ATOM 1481 CB PHE A 91 10.717 4.368 -5.482 1.00 0.00 C ATOM 1482 CG PHE A 91 11.054 2.922 -5.734 1.00 0.00 C ATOM 1483 CD1 PHE A 91 10.092 1.933 -5.583 1.00 0.00 C ATOM 1484 CD2 PHE A 91 12.331 2.551 -6.123 1.00 0.00 C ATOM 1485 CE1 PHE A 91 10.399 0.606 -5.813 1.00 0.00 C ATOM 1486 CE2 PHE A 91 12.644 1.225 -6.355 1.00 0.00 C ATOM 1487 CZ PHE A 91 11.678 0.252 -6.200 1.00 0.00 C ATOM 0 H PHE A 91 8.378 4.556 -3.847 1.00 0.00 H new ATOM 0 HA PHE A 91 11.288 4.312 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.830 4.629 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.533 4.990 -5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.091 2.204 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.092 3.308 -6.247 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.641 -0.154 -5.691 1.00 0.00 H new ATOM 0 HE2 PHE A 91 13.644 0.951 -6.657 1.00 0.00 H new ATOM 0 HZ PHE A 91 11.921 -0.785 -6.381 1.00 0.00 H new ATOM 1497 N LEU A 92 11.572 6.864 -3.763 1.00 0.00 N ATOM 1498 CA LEU A 92 11.648 8.316 -3.592 1.00 0.00 C ATOM 1499 C LEU A 92 12.854 8.894 -4.346 1.00 0.00 C ATOM 1500 O LEU A 92 13.411 8.241 -5.227 1.00 0.00 O ATOM 1501 CB LEU A 92 11.709 8.671 -2.099 1.00 0.00 C ATOM 1502 CG LEU A 92 12.944 8.163 -1.354 1.00 0.00 C ATOM 1503 CD1 LEU A 92 13.265 9.068 -0.174 1.00 0.00 C ATOM 1504 CD2 LEU A 92 12.737 6.726 -0.891 1.00 0.00 C ATOM 0 H LEU A 92 12.478 6.401 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 92 10.749 8.763 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.666 9.756 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.821 8.270 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 92 13.791 8.181 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.147 8.691 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.459 10.079 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.419 9.084 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.626 6.382 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.877 6.679 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.559 6.087 -1.756 1.00 0.00 H new ATOM 1516 N LEU A 93 13.242 10.127 -4.010 1.00 0.00 N ATOM 1517 CA LEU A 93 14.367 10.789 -4.674 1.00 0.00 C ATOM 1518 C LEU A 93 15.675 10.651 -3.875 1.00 0.00 C ATOM 1519 O LEU A 93 16.759 10.871 -4.418 1.00 0.00 O ATOM 1520 CB LEU A 93 14.043 12.274 -4.900 1.00 0.00 C ATOM 1521 CG LEU A 93 12.679 12.560 -5.549 1.00 0.00 C ATOM 1522 CD1 LEU A 93 11.563 12.547 -4.511 1.00 0.00 C ATOM 1523 CD2 LEU A 93 12.704 13.896 -6.278 1.00 0.00 C ATOM 0 H LEU A 93 12.794 10.686 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 93 14.517 10.295 -5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 93 14.084 12.788 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 93 14.823 12.707 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 93 12.480 11.769 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.610 12.752 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.522 11.568 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.757 13.311 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.730 14.082 -6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.933 14.693 -5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.467 13.872 -7.056 1.00 0.00 H new ATOM 1535 N GLU A 94 15.569 10.289 -2.590 1.00 0.00 N ATOM 1536 CA GLU A 94 16.750 10.133 -1.731 1.00 0.00 C ATOM 1537 C GLU A 94 17.048 8.661 -1.402 1.00 0.00 C ATOM 1538 O GLU A 94 17.989 8.373 -0.662 1.00 0.00 O ATOM 1539 CB GLU A 94 16.551 10.917 -0.428 1.00 0.00 C ATOM 1540 CG GLU A 94 17.690 11.875 -0.110 1.00 0.00 C ATOM 1541 CD GLU A 94 17.223 13.310 0.072 1.00 0.00 C ATOM 1542 OE1 GLU A 94 16.493 13.817 -0.805 1.00 0.00 O ATOM 1543 OE2 GLU A 94 17.593 13.928 1.090 1.00 0.00 O ATOM 0 H GLU A 94 14.682 10.099 -2.124 1.00 0.00 H new ATOM 0 HA GLU A 94 17.604 10.525 -2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.621 11.481 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.440 10.212 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.193 11.544 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.425 11.837 -0.914 1.00 0.00 H new ATOM 1550 N LYS A 95 16.250 7.736 -1.947 1.00 0.00 N ATOM 1551 CA LYS A 95 16.432 6.298 -1.701 1.00 0.00 C ATOM 1552 C LYS A 95 16.600 5.993 -0.206 1.00 0.00 C ATOM 1553 O LYS A 95 17.381 5.117 0.173 1.00 0.00 O ATOM 1554 CB LYS A 95 17.638 5.759 -2.481 1.00 0.00 C ATOM 1555 CG LYS A 95 17.500 5.883 -3.990 1.00 0.00 C ATOM 1556 CD LYS A 95 18.046 7.212 -4.487 1.00 0.00 C ATOM 1557 CE LYS A 95 17.134 7.832 -5.531 1.00 0.00 C ATOM 1558 NZ LYS A 95 17.829 8.033 -6.832 1.00 0.00 N ATOM 0 H LYS A 95 15.468 7.957 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 95 15.529 5.797 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.533 6.294 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 95 17.785 4.710 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 95 18.032 5.065 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.451 5.791 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.158 7.898 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 95 19.039 7.063 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.265 7.191 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.764 8.790 -5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.217 8.579 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.717 8.552 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 18.040 7.109 -7.260 1.00 0.00 H new ATOM 1572 N ALA A 96 15.863 6.717 0.640 1.00 0.00 N ATOM 1573 CA ALA A 96 15.934 6.521 2.087 1.00 0.00 C ATOM 1574 C ALA A 96 14.838 5.572 2.576 1.00 0.00 C ATOM 1575 O ALA A 96 15.115 4.612 3.297 1.00 0.00 O ATOM 1576 CB ALA A 96 15.837 7.859 2.805 1.00 0.00 C ATOM 0 H ALA A 96 15.211 7.444 0.346 1.00 0.00 H new ATOM 0 HA ALA A 96 16.897 6.064 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.891 7.699 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.661 8.501 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.890 8.337 2.557 1.00 0.00 H new ATOM 1582 N GLY A 97 13.593 5.846 2.176 1.00 0.00 N ATOM 1583 CA GLY A 97 12.475 5.007 2.577 1.00 0.00 C ATOM 1584 C GLY A 97 12.039 4.041 1.486 1.00 0.00 C ATOM 1585 O GLY A 97 10.938 3.495 1.549 1.00 0.00 O ATOM 0 H GLY A 97 13.342 6.635 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.752 4.441 3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.632 5.641 2.852 1.00 0.00 H new ATOM 1589 N GLU A 98 12.902 3.830 0.487 1.00 0.00 N ATOM 1590 CA GLU A 98 12.595 2.925 -0.616 1.00 0.00 C ATOM 1591 C GLU A 98 12.610 1.473 -0.139 1.00 0.00 C ATOM 1592 O GLU A 98 13.672 0.850 -0.054 1.00 0.00 O ATOM 1593 CB GLU A 98 13.601 3.129 -1.756 1.00 0.00 C ATOM 1594 CG GLU A 98 13.357 2.239 -2.966 1.00 0.00 C ATOM 1595 CD GLU A 98 14.580 2.121 -3.855 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.033 3.158 -4.385 1.00 0.00 O ATOM 1597 OE2 GLU A 98 15.084 0.990 -4.023 1.00 0.00 O ATOM 0 H GLU A 98 13.817 4.275 0.423 1.00 0.00 H new ATOM 0 HA GLU A 98 11.595 3.150 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.569 4.171 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.606 2.942 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.060 1.246 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.527 2.640 -3.547 1.00 0.00 H new ATOM 1604 N ARG A 99 11.428 0.945 0.183 1.00 0.00 N ATOM 1605 CA ARG A 99 11.310 -0.429 0.665 1.00 0.00 C ATOM 1606 C ARG A 99 10.050 -1.113 0.132 1.00 0.00 C ATOM 1607 O ARG A 99 9.075 -0.451 -0.229 1.00 0.00 O ATOM 1608 CB ARG A 99 11.304 -0.453 2.195 1.00 0.00 C ATOM 1609 CG ARG A 99 12.476 -1.214 2.796 1.00 0.00 C ATOM 1610 CD ARG A 99 13.540 -0.266 3.327 1.00 0.00 C ATOM 1611 NE ARG A 99 13.407 -0.037 4.767 1.00 0.00 N ATOM 1612 CZ ARG A 99 13.961 0.992 5.415 1.00 0.00 C ATOM 1613 NH1 ARG A 99 14.682 1.899 4.759 1.00 0.00 N ATOM 1614 NH2 ARG A 99 13.795 1.116 6.727 1.00 0.00 N ATOM 0 H ARG A 99 10.543 1.447 0.119 1.00 0.00 H new ATOM 0 HA ARG A 99 12.173 -0.981 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.318 0.572 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.373 -0.904 2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.121 -1.854 3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.913 -1.867 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.528 -0.676 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.471 0.686 2.801 1.00 0.00 H new ATOM 0 HE ARG A 99 12.858 -0.704 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.816 1.812 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.100 2.680 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.245 0.426 7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.217 1.901 7.223 1.00 0.00 H new ATOM 1628 N LYS A 100 10.079 -2.447 0.101 1.00 0.00 N ATOM 1629 CA LYS A 100 8.944 -3.237 -0.370 1.00 0.00 C ATOM 1630 C LYS A 100 8.421 -4.138 0.746 1.00 0.00 C ATOM 1631 O LYS A 100 9.204 -4.718 1.499 1.00 0.00 O ATOM 1632 CB LYS A 100 9.343 -4.090 -1.576 1.00 0.00 C ATOM 1633 CG LYS A 100 9.879 -3.284 -2.749 1.00 0.00 C ATOM 1634 CD LYS A 100 11.391 -3.139 -2.686 1.00 0.00 C ATOM 1635 CE LYS A 100 11.999 -3.023 -4.076 1.00 0.00 C ATOM 1636 NZ LYS A 100 12.425 -4.345 -4.618 1.00 0.00 N ATOM 0 H LYS A 100 10.881 -3.003 0.398 1.00 0.00 H new ATOM 0 HA LYS A 100 8.155 -2.548 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.101 -4.809 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.476 -4.663 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.598 -3.770 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.418 -2.296 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.649 -2.257 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.819 -3.999 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.272 -2.573 -4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.858 -2.353 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.833 -4.216 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.138 -4.765 -3.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.601 -4.977 -4.678 1.00 0.00 H new ATOM 1650 N ILE A 101 7.097 -4.252 0.850 1.00 0.00 N ATOM 1651 CA ILE A 101 6.481 -5.085 1.882 1.00 0.00 C ATOM 1652 C ILE A 101 5.472 -6.063 1.280 1.00 0.00 C ATOM 1653 O ILE A 101 4.330 -5.697 0.988 1.00 0.00 O ATOM 1654 CB ILE A 101 5.780 -4.226 2.959 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.681 -3.070 3.408 1.00 0.00 C ATOM 1656 CG2 ILE A 101 5.392 -5.084 4.155 1.00 0.00 C ATOM 1657 CD1 ILE A 101 6.186 -1.708 2.969 1.00 0.00 C ATOM 0 H ILE A 101 6.433 -3.780 0.235 1.00 0.00 H new ATOM 0 HA ILE A 101 7.287 -5.650 2.351 1.00 0.00 H new ATOM 0 HB ILE A 101 4.875 -3.806 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.762 -3.085 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.684 -3.228 3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.900 -4.463 4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.711 -5.872 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.287 -5.532 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.874 -0.940 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 101 6.132 -1.674 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.195 -1.529 3.387 1.00 0.00 H new ATOM 1669 N PRO A 102 5.884 -7.330 1.087 1.00 0.00 N ATOM 1670 CA PRO A 102 5.026 -8.369 0.525 1.00 0.00 C ATOM 1671 C PRO A 102 4.206 -9.090 1.595 1.00 0.00 C ATOM 1672 O PRO A 102 4.680 -9.307 2.712 1.00 0.00 O ATOM 1673 CB PRO A 102 6.040 -9.315 -0.112 1.00 0.00 C ATOM 1674 CG PRO A 102 7.246 -9.226 0.766 1.00 0.00 C ATOM 1675 CD PRO A 102 7.230 -7.851 1.398 1.00 0.00 C ATOM 0 HA PRO A 102 4.283 -7.975 -0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.657 -10.334 -0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.272 -9.017 -1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.225 -10.003 1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.157 -9.374 0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.399 -7.904 2.474 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.010 -7.212 0.984 1.00 0.00 H new ATOM 1683 N HIS A 103 2.974 -9.461 1.244 1.00 0.00 N ATOM 1684 CA HIS A 103 2.086 -10.163 2.171 1.00 0.00 C ATOM 1685 C HIS A 103 1.359 -11.311 1.474 1.00 0.00 C ATOM 1686 O HIS A 103 1.438 -11.460 0.253 1.00 0.00 O ATOM 1687 CB HIS A 103 1.059 -9.198 2.779 1.00 0.00 C ATOM 1688 CG HIS A 103 1.654 -7.948 3.348 1.00 0.00 C ATOM 1689 ND1 HIS A 103 1.725 -6.764 2.647 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.191 -7.698 4.565 1.00 0.00 C ATOM 1691 CE1 HIS A 103 2.283 -5.839 3.406 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.574 -6.380 4.575 1.00 0.00 N ATOM 0 H HIS A 103 2.569 -9.287 0.324 1.00 0.00 H new ATOM 0 HA HIS A 103 2.705 -10.573 2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.334 -8.926 2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.511 -9.717 3.565 1.00 0.00 H new ATOM 0 HD1 HIS A 103 1.398 -6.624 1.691 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.298 -8.403 5.376 1.00 0.00 H new ATOM 0 HE1 HIS A 103 2.470 -4.815 3.120 1.00 0.00 H new ATOM 1701 N ASP A 104 0.650 -12.116 2.263 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.102 -13.252 1.740 1.00 0.00 C ATOM 1703 C ASP A 104 -1.581 -13.118 2.091 1.00 0.00 C ATOM 1704 O ASP A 104 -1.931 -12.515 3.105 1.00 0.00 O ATOM 1705 CB ASP A 104 0.455 -14.566 2.304 1.00 0.00 C ATOM 1706 CG ASP A 104 0.412 -14.623 3.822 1.00 0.00 C ATOM 1707 OD1 ASP A 104 1.146 -13.847 4.471 1.00 0.00 O ATOM 1708 OD2 ASP A 104 -0.353 -15.446 4.361 1.00 0.00 O ATOM 0 H ASP A 104 0.581 -12.000 3.274 1.00 0.00 H new ATOM 0 HA ASP A 104 0.001 -13.263 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.116 -15.401 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.485 -14.691 1.970 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.444 -13.683 1.249 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.882 -13.624 1.483 1.00 0.00 C ATOM 1715 C LEU A 105 -4.536 -14.963 1.152 1.00 0.00 C ATOM 1716 O LEU A 105 -5.026 -15.171 0.042 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.510 -12.496 0.657 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.607 -11.706 1.371 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.010 -10.826 2.461 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.394 -10.870 0.373 1.00 0.00 C ATOM 0 H LEU A 105 -2.173 -14.184 0.403 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.053 -13.415 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.723 -11.805 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.926 -12.923 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.291 -12.412 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.806 -10.272 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.493 -11.450 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.303 -10.126 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.171 -10.314 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.722 -10.172 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.853 -11.525 -0.368 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.533 -15.875 2.123 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.125 -17.201 1.934 1.00 0.00 C ATOM 1734 C ASN A 106 -5.411 -17.884 3.273 1.00 0.00 C ATOM 1735 O ASN A 106 -5.219 -19.093 3.422 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.196 -18.075 1.080 1.00 0.00 C ATOM 1737 CG ASN A 106 -4.953 -18.872 0.034 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -4.787 -20.086 -0.077 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -5.786 -18.188 -0.742 1.00 0.00 N ATOM 0 H ASN A 106 -4.129 -15.722 3.047 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.076 -17.074 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.458 -17.442 0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.648 -18.759 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.320 -18.669 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.892 -17.182 -0.614 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.870 -17.097 4.247 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.177 -17.620 5.576 1.00 0.00 C ATOM 1748 C PHE A 107 -7.427 -16.965 6.157 1.00 0.00 C ATOM 1749 O PHE A 107 -7.576 -15.741 6.109 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.992 -17.395 6.523 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.725 -18.081 6.087 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -2.917 -17.517 5.112 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -3.346 -19.291 6.646 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.756 -18.144 4.706 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -2.185 -19.923 6.243 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.389 -19.349 5.272 1.00 0.00 C ATOM 0 H PHE A 107 -6.037 -16.096 4.139 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.365 -18.689 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.804 -16.325 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.262 -17.750 7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.199 -16.575 4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.965 -19.745 7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.135 -17.692 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.901 -20.865 6.687 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.481 -19.841 4.956 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.319 -17.788 6.717 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.552 -17.292 7.323 1.00 0.00 C ATOM 1768 C LEU A 108 -9.237 -16.304 8.446 1.00 0.00 C ATOM 1769 O LEU A 108 -8.398 -16.579 9.307 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.400 -18.456 7.859 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.672 -19.430 8.796 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.981 -19.112 10.251 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -10.054 -20.866 8.470 1.00 0.00 C ATOM 0 H LEU A 108 -8.207 -18.801 6.762 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.125 -16.774 6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.258 -18.043 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.790 -19.019 7.011 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.599 -19.314 8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.455 -19.815 10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.656 -18.097 10.478 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.054 -19.196 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.529 -21.544 9.143 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.130 -20.993 8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.777 -21.091 7.440 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.903 -15.148 8.419 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.695 -14.099 9.419 1.00 0.00 C ATOM 1787 C GLN A 109 -8.252 -13.586 9.370 1.00 0.00 C ATOM 1788 O GLN A 109 -7.432 -13.913 10.230 1.00 0.00 O ATOM 1789 CB GLN A 109 -10.042 -14.606 10.825 1.00 0.00 C ATOM 1790 CG GLN A 109 -11.514 -14.449 11.184 1.00 0.00 C ATOM 1791 CD GLN A 109 -12.296 -15.748 11.073 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -11.752 -16.833 11.276 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -13.582 -15.643 10.756 1.00 0.00 N ATOM 0 H GLN A 109 -10.597 -14.914 7.709 1.00 0.00 H new ATOM 0 HA GLN A 109 -10.363 -13.270 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.769 -15.658 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.439 -14.067 11.556 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.595 -14.069 12.202 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.964 -13.703 10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -13.994 -14.724 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -14.157 -16.481 10.673 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.957 -12.781 8.348 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.626 -12.216 8.162 1.00 0.00 C ATOM 1804 C GLU A 110 -6.602 -10.741 8.536 1.00 0.00 C ATOM 1805 O GLU A 110 -7.493 -9.977 8.154 1.00 0.00 O ATOM 1806 CB GLU A 110 -6.168 -12.380 6.712 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.723 -11.958 6.470 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.787 -13.145 6.359 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.670 -13.706 5.248 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.181 -13.521 7.383 1.00 0.00 O ATOM 0 H GLU A 110 -8.630 -12.506 7.633 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.944 -12.757 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.285 -13.424 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.821 -11.793 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.668 -11.368 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.394 -11.314 7.285 1.00 0.00 H new ATOM 1817 N SER A 111 -5.562 -10.356 9.267 1.00 0.00 N ATOM 1818 CA SER A 111 -5.370 -8.976 9.694 1.00 0.00 C ATOM 1819 C SER A 111 -3.903 -8.593 9.508 1.00 0.00 C ATOM 1820 O SER A 111 -3.138 -8.512 10.472 1.00 0.00 O ATOM 1821 CB SER A 111 -5.796 -8.804 11.156 1.00 0.00 C ATOM 1822 OG SER A 111 -6.236 -7.479 11.408 1.00 0.00 O ATOM 0 H SER A 111 -4.829 -10.992 9.580 1.00 0.00 H new ATOM 0 HA SER A 111 -5.991 -8.318 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.596 -9.507 11.390 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.959 -9.044 11.812 1.00 0.00 H new ATOM 0 HG SER A 111 -6.503 -7.396 12.347 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.517 -8.379 8.251 1.00 0.00 N ATOM 1829 CA TYR A 112 -2.147 -8.025 7.912 1.00 0.00 C ATOM 1830 C TYR A 112 -2.087 -6.612 7.361 1.00 0.00 C ATOM 1831 O TYR A 112 -2.709 -6.303 6.345 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.582 -9.015 6.889 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.911 -10.223 7.508 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -1.542 -10.963 8.502 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.354 -10.622 7.096 1.00 0.00 C ATOM 1836 CE1 TYR A 112 -0.931 -12.064 9.068 1.00 0.00 C ATOM 1837 CE2 TYR A 112 0.971 -11.723 7.658 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.326 -12.441 8.642 1.00 0.00 C ATOM 1839 OH TYR A 112 0.939 -13.536 9.205 1.00 0.00 O ATOM 0 H TYR A 112 -4.142 -8.446 7.448 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.542 -8.072 8.817 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.391 -9.353 6.241 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.862 -8.497 6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.527 -10.672 8.837 1.00 0.00 H new ATOM 0 HD2 TYR A 112 0.863 -10.063 6.325 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.434 -12.627 9.840 1.00 0.00 H new ATOM 0 HE2 TYR A 112 1.955 -12.020 7.327 1.00 0.00 H new ATOM 0 HH TYR A 112 1.818 -13.667 8.793 1.00 0.00 H new ATOM 1849 N GLU A 113 -1.348 -5.760 8.049 1.00 0.00 N ATOM 1850 CA GLU A 113 -1.215 -4.366 7.644 1.00 0.00 C ATOM 1851 C GLU A 113 0.160 -3.813 8.019 1.00 0.00 C ATOM 1852 O GLU A 113 0.664 -4.065 9.114 1.00 0.00 O ATOM 1853 CB GLU A 113 -2.347 -3.544 8.274 1.00 0.00 C ATOM 1854 CG GLU A 113 -2.121 -3.147 9.730 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.083 -4.333 10.680 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -2.943 -5.230 10.553 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -1.195 -4.359 11.557 1.00 0.00 O ATOM 0 H GLU A 113 -0.829 -6.006 8.892 1.00 0.00 H new ATOM 0 HA GLU A 113 -1.297 -4.298 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.490 -2.639 7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.272 -4.117 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.182 -2.598 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.914 -2.467 10.041 1.00 0.00 H new ATOM 1864 N VAL A 114 0.770 -3.073 7.093 1.00 0.00 N ATOM 1865 CA VAL A 114 2.098 -2.503 7.320 1.00 0.00 C ATOM 1866 C VAL A 114 2.070 -0.973 7.306 1.00 0.00 C ATOM 1867 O VAL A 114 1.334 -0.358 6.528 1.00 0.00 O ATOM 1868 CB VAL A 114 3.111 -3.008 6.266 1.00 0.00 C ATOM 1869 CG1 VAL A 114 2.617 -2.724 4.857 1.00 0.00 C ATOM 1870 CG2 VAL A 114 4.482 -2.387 6.484 1.00 0.00 C ATOM 0 H VAL A 114 0.367 -2.855 6.182 1.00 0.00 H new ATOM 0 HA VAL A 114 2.415 -2.835 8.309 1.00 0.00 H new ATOM 0 HB VAL A 114 3.203 -4.087 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 114 3.347 -3.089 4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.665 -3.229 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.484 -1.650 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.174 -2.760 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.407 -1.303 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.849 -2.653 7.475 1.00 0.00 H new ATOM 1880 N GLU A 115 2.885 -0.371 8.175 1.00 0.00 N ATOM 1881 CA GLU A 115 2.975 1.082 8.277 1.00 0.00 C ATOM 1882 C GLU A 115 4.432 1.538 8.364 1.00 0.00 C ATOM 1883 O GLU A 115 5.169 1.131 9.265 1.00 0.00 O ATOM 1884 CB GLU A 115 2.190 1.574 9.497 1.00 0.00 C ATOM 1885 CG GLU A 115 0.683 1.568 9.290 1.00 0.00 C ATOM 1886 CD GLU A 115 -0.042 0.690 10.291 1.00 0.00 C ATOM 1887 OE1 GLU A 115 -0.072 -0.541 10.087 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.584 1.235 11.275 1.00 0.00 O ATOM 0 H GLU A 115 3.494 -0.873 8.821 1.00 0.00 H new ATOM 0 HA GLU A 115 2.540 1.515 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.434 0.946 10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.511 2.586 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.306 2.588 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.460 1.221 8.281 1.00 0.00 H new ATOM 1895 N HIS A 116 4.837 2.387 7.417 1.00 0.00 N ATOM 1896 CA HIS A 116 6.204 2.907 7.372 1.00 0.00 C ATOM 1897 C HIS A 116 6.202 4.426 7.214 1.00 0.00 C ATOM 1898 O HIS A 116 5.215 5.007 6.765 1.00 0.00 O ATOM 1899 CB HIS A 116 6.978 2.268 6.216 1.00 0.00 C ATOM 1900 CG HIS A 116 8.076 1.351 6.661 1.00 0.00 C ATOM 1901 ND1 HIS A 116 9.415 1.641 6.493 1.00 0.00 N ATOM 1902 CD2 HIS A 116 8.030 0.145 7.275 1.00 0.00 C ATOM 1903 CE1 HIS A 116 10.142 0.654 6.981 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.327 -0.265 7.462 1.00 0.00 N ATOM 0 H HIS A 116 4.235 2.730 6.669 1.00 0.00 H new ATOM 0 HA HIS A 116 6.693 2.655 8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.282 1.710 5.589 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.404 3.057 5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.140 -0.394 7.564 1.00 0.00 H new ATOM 0 HE1 HIS A 116 11.221 0.607 6.986 1.00 0.00 H new ATOM 0 HE2 HIS A 116 9.614 -1.139 7.902 1.00 0.00 H new ATOM 1913 N VAL A 117 7.312 5.062 7.580 1.00 0.00 N ATOM 1914 CA VAL A 117 7.433 6.515 7.474 1.00 0.00 C ATOM 1915 C VAL A 117 8.624 6.916 6.601 1.00 0.00 C ATOM 1916 O VAL A 117 9.707 6.332 6.704 1.00 0.00 O ATOM 1917 CB VAL A 117 7.566 7.173 8.869 1.00 0.00 C ATOM 1918 CG1 VAL A 117 8.825 6.695 9.581 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.553 8.693 8.755 1.00 0.00 C ATOM 0 H VAL A 117 8.140 4.596 7.952 1.00 0.00 H new ATOM 0 HA VAL A 117 6.518 6.874 7.002 1.00 0.00 H new ATOM 0 HB VAL A 117 6.706 6.870 9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 117 8.894 7.173 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.783 5.613 9.708 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.701 6.957 8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.648 9.133 9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.387 9.018 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.615 9.016 8.303 1.00 0.00 H new ATOM 1929 N ILE A 118 8.417 7.922 5.750 1.00 0.00 N ATOM 1930 CA ILE A 118 9.467 8.417 4.864 1.00 0.00 C ATOM 1931 C ILE A 118 9.672 9.917 5.076 1.00 0.00 C ATOM 1932 O ILE A 118 8.807 10.727 4.737 1.00 0.00 O ATOM 1933 CB ILE A 118 9.140 8.152 3.374 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.695 6.699 3.165 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.345 8.470 2.498 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.191 6.526 3.126 1.00 0.00 C ATOM 0 H ILE A 118 7.527 8.411 5.657 1.00 0.00 H new ATOM 0 HA ILE A 118 10.380 7.877 5.113 1.00 0.00 H new ATOM 0 HB ILE A 118 8.318 8.807 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.119 6.328 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.103 6.084 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.097 8.278 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.616 9.519 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.185 7.841 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.950 5.474 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.761 6.866 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.778 7.114 2.306 1.00 0.00 H new ATOM 1948 N GLN A 119 10.821 10.279 5.649 1.00 0.00 N ATOM 1949 CA GLN A 119 11.142 11.678 5.919 1.00 0.00 C ATOM 1950 C GLN A 119 12.530 12.028 5.394 1.00 0.00 C ATOM 1951 O GLN A 119 13.524 11.435 5.812 1.00 0.00 O ATOM 1952 CB GLN A 119 11.075 11.957 7.424 1.00 0.00 C ATOM 1953 CG GLN A 119 9.713 11.688 8.046 1.00 0.00 C ATOM 1954 CD GLN A 119 9.721 11.828 9.560 1.00 0.00 C ATOM 1955 OE1 GLN A 119 10.777 11.967 10.178 1.00 0.00 O ATOM 1956 NE2 GLN A 119 8.540 11.793 10.168 1.00 0.00 N ATOM 0 H GLN A 119 11.545 9.620 5.935 1.00 0.00 H new ATOM 0 HA GLN A 119 10.408 12.298 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.821 11.344 7.930 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.344 12.998 7.602 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.983 12.380 7.625 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.389 10.682 7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.688 11.676 9.620 1.00 0.00 H new ATOM 0 HE22 GLN A 119 8.486 11.883 11.183 1.00 0.00 H new ATOM 1965 N ILE A 120 12.595 12.999 4.482 1.00 0.00 N ATOM 1966 CA ILE A 120 13.874 13.423 3.915 1.00 0.00 C ATOM 1967 C ILE A 120 13.896 14.925 3.591 1.00 0.00 C ATOM 1968 O ILE A 120 14.174 15.322 2.457 1.00 0.00 O ATOM 1969 CB ILE A 120 14.239 12.608 2.647 1.00 0.00 C ATOM 1970 CG1 ILE A 120 13.025 12.449 1.723 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.795 11.244 3.039 1.00 0.00 C ATOM 1972 CD1 ILE A 120 13.251 12.981 0.323 1.00 0.00 C ATOM 0 H ILE A 120 11.784 13.503 4.123 1.00 0.00 H new ATOM 0 HA ILE A 120 14.623 13.229 4.683 1.00 0.00 H new ATOM 0 HB ILE A 120 15.006 13.156 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.761 11.393 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.173 12.965 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 120 15.047 10.682 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.690 11.377 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 120 14.046 10.696 3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 120 12.350 12.834 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.484 14.045 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.082 12.448 -0.139 1.00 0.00 H new ATOM 1984 N PRO A 121 13.604 15.787 4.593 1.00 0.00 N ATOM 1985 CA PRO A 121 13.601 17.241 4.405 1.00 0.00 C ATOM 1986 C PRO A 121 15.011 17.840 4.373 1.00 0.00 C ATOM 1987 O PRO A 121 15.309 18.689 3.532 1.00 0.00 O ATOM 1988 CB PRO A 121 12.832 17.752 5.624 1.00 0.00 C ATOM 1989 CG PRO A 121 13.063 16.730 6.684 1.00 0.00 C ATOM 1990 CD PRO A 121 13.258 15.410 5.979 1.00 0.00 C ATOM 0 HA PRO A 121 13.158 17.523 3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 121 13.193 18.732 5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.770 17.859 5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.939 16.983 7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.215 16.682 7.367 1.00 0.00 H new ATOM 0 HD2 PRO A 121 14.052 14.824 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.353 14.803 6.013 1.00 0.00 H new