USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 81 SER OG : rot -161:sc= 0.267 USER MOD Set 1.2: A 82 GLN : amide:sc= 0.0999 X(o=0.37,f=0.17) USER MOD Set 2.1: A 46 SER OG : rot -62:sc= 0.396 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0.365 USER MOD Single : A 26 MET CE :methyl -167:sc= -0.688 (180deg=-0.922) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 0.189 (180deg=0.0834) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 153:sc= 0.332 (180deg=0.105) USER MOD Single : A 32 THR OG1 : rot -58:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= -0.237 (180deg=-0.813) USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= -0.466 (180deg=-2.36!) USER MOD Single : A 44 ASN : amide:sc= -0.0657 X(o=-0.066,f=-0.066) USER MOD Single : A 45 SER OG : rot -170:sc= -1.3 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.0742) USER MOD Single : A 55 SER OG : rot 78:sc= 1.22 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 0.293 (180deg=0.000466) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0.58 (180deg=0.579) USER MOD Single : A 60 SER OG : rot 140:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.628 K(o=-0.63,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.41 (180deg=1.17) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.913 K(o=-0.91,f=-3.7) USER MOD Single : A 86 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.022) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00751 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -178:sc= 0.418 (180deg=0.417) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -12.297 13.722 6.532 1.00 0.00 N ATOM 38 CA ILE A 25 -11.061 12.927 6.616 1.00 0.00 C ATOM 39 C ILE A 25 -10.406 12.829 5.207 1.00 0.00 C ATOM 40 O ILE A 25 -11.081 13.055 4.189 1.00 0.00 O ATOM 41 CB ILE A 25 -11.408 11.517 7.225 1.00 0.00 C ATOM 42 CG1 ILE A 25 -10.144 10.835 7.823 1.00 0.00 C ATOM 43 CG2 ILE A 25 -12.115 10.600 6.193 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.410 9.567 8.600 1.00 0.00 C ATOM 0 HA ILE A 25 -10.332 13.404 7.272 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.113 11.681 8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.454 10.607 7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.642 11.546 8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.337 9.637 6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.043 11.068 5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.462 10.449 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.469 9.167 8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.072 9.786 9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.881 8.832 7.947 1.00 0.00 H new ATOM 56 N MET A 26 -9.099 12.503 5.151 1.00 0.00 N ATOM 57 CA MET A 26 -8.326 12.503 3.888 1.00 0.00 C ATOM 58 C MET A 26 -8.542 11.189 3.122 1.00 0.00 C ATOM 59 O MET A 26 -8.153 10.109 3.584 1.00 0.00 O ATOM 60 CB MET A 26 -6.816 12.757 4.175 1.00 0.00 C ATOM 61 CG MET A 26 -5.890 12.697 2.947 1.00 0.00 C ATOM 62 SD MET A 26 -4.362 13.631 3.174 1.00 0.00 S ATOM 63 CE MET A 26 -4.988 15.314 3.274 1.00 0.00 C ATOM 0 H MET A 26 -8.552 12.235 5.969 1.00 0.00 H new ATOM 0 HA MET A 26 -8.686 13.315 3.256 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.712 13.738 4.639 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.474 12.022 4.903 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.646 11.657 2.733 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.421 13.085 2.078 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.160 16.016 3.182 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.700 15.486 2.467 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.484 15.461 4.233 1.00 0.00 H new ATOM 73 N LYS A 27 -9.176 11.309 1.944 1.00 0.00 N ATOM 74 CA LYS A 27 -9.582 10.165 1.118 1.00 0.00 C ATOM 75 C LYS A 27 -8.452 9.816 0.133 1.00 0.00 C ATOM 76 O LYS A 27 -8.393 10.362 -0.968 1.00 0.00 O ATOM 77 CB LYS A 27 -10.911 10.495 0.368 1.00 0.00 C ATOM 78 CG LYS A 27 -12.035 11.104 1.255 1.00 0.00 C ATOM 79 CD LYS A 27 -12.420 10.223 2.478 1.00 0.00 C ATOM 80 CE LYS A 27 -12.990 8.843 2.082 1.00 0.00 C ATOM 81 NZ LYS A 27 -14.220 8.957 1.254 1.00 0.00 N ATOM 0 H LYS A 27 -9.422 12.211 1.537 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.763 9.297 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.690 11.191 -0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.287 9.581 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.713 12.082 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.922 11.264 0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.540 10.079 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.157 10.753 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.234 8.285 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.213 8.272 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.356 8.080 0.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.042 9.113 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.124 9.758 0.598 1.00 0.00 H new ATOM 95 N VAL A 28 -7.536 8.927 0.544 1.00 0.00 N ATOM 96 CA VAL A 28 -6.358 8.563 -0.268 1.00 0.00 C ATOM 97 C VAL A 28 -6.684 7.328 -1.112 1.00 0.00 C ATOM 98 O VAL A 28 -6.950 6.251 -0.572 1.00 0.00 O ATOM 99 CB VAL A 28 -5.099 8.262 0.625 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.804 8.179 -0.226 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.968 9.293 1.758 1.00 0.00 C ATOM 0 H VAL A 28 -7.586 8.442 1.440 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.120 9.412 -0.908 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.243 7.284 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.954 7.970 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.903 7.381 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.644 9.128 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.090 9.062 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.863 10.291 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.858 9.258 2.386 1.00 0.00 H new ATOM 111 N THR A 29 -6.683 7.513 -2.430 1.00 0.00 N ATOM 112 CA THR A 29 -6.933 6.445 -3.393 1.00 0.00 C ATOM 113 C THR A 29 -5.601 5.715 -3.677 1.00 0.00 C ATOM 114 O THR A 29 -4.540 6.340 -3.673 1.00 0.00 O ATOM 115 CB THR A 29 -7.549 7.032 -4.714 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.467 8.090 -4.395 1.00 0.00 O ATOM 117 CG2 THR A 29 -8.312 5.972 -5.515 1.00 0.00 C ATOM 0 H THR A 29 -6.507 8.419 -2.864 1.00 0.00 H new ATOM 0 HA THR A 29 -7.652 5.735 -2.984 1.00 0.00 H new ATOM 0 HB THR A 29 -6.718 7.399 -5.316 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.847 8.454 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.720 6.423 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.634 5.163 -5.787 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.126 5.574 -4.909 1.00 0.00 H new ATOM 125 N VAL A 30 -5.645 4.382 -3.799 1.00 0.00 N ATOM 126 CA VAL A 30 -4.471 3.541 -4.105 1.00 0.00 C ATOM 127 C VAL A 30 -4.802 2.604 -5.273 1.00 0.00 C ATOM 128 O VAL A 30 -5.790 1.857 -5.222 1.00 0.00 O ATOM 129 CB VAL A 30 -4.031 2.697 -2.844 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.962 1.623 -3.176 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.524 3.620 -1.721 1.00 0.00 C ATOM 0 H VAL A 30 -6.506 3.847 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.642 4.192 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.920 2.166 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.701 1.077 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.361 0.929 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.072 2.108 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.226 3.018 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.667 4.191 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.319 4.305 -1.426 1.00 0.00 H new ATOM 141 N LYS A 31 -3.958 2.653 -6.311 1.00 0.00 N ATOM 142 CA LYS A 31 -4.056 1.800 -7.499 1.00 0.00 C ATOM 143 C LYS A 31 -3.100 0.613 -7.291 1.00 0.00 C ATOM 144 O LYS A 31 -1.928 0.799 -6.946 1.00 0.00 O ATOM 145 CB LYS A 31 -3.699 2.613 -8.793 1.00 0.00 C ATOM 146 CG LYS A 31 -4.405 2.137 -10.093 1.00 0.00 C ATOM 147 CD LYS A 31 -4.000 0.714 -10.546 1.00 0.00 C ATOM 148 CE LYS A 31 -4.808 0.205 -11.748 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.398 -1.169 -12.139 1.00 0.00 N ATOM 0 H LYS A 31 -3.171 3.301 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.074 1.435 -7.634 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.951 3.660 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.621 2.565 -8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.484 2.165 -9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.179 2.840 -10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.940 0.710 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.130 0.024 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.870 0.213 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.671 0.881 -12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.196 -1.652 -12.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.597 -1.117 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.113 -1.701 -11.292 1.00 0.00 H new ATOM 163 N THR A 32 -3.630 -0.597 -7.476 1.00 0.00 N ATOM 164 CA THR A 32 -2.949 -1.862 -7.167 1.00 0.00 C ATOM 165 C THR A 32 -2.985 -2.766 -8.417 1.00 0.00 C ATOM 166 O THR A 32 -3.692 -2.443 -9.391 1.00 0.00 O ATOM 167 CB THR A 32 -3.660 -2.565 -5.941 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.905 -3.158 -6.345 1.00 0.00 O ATOM 169 CG2 THR A 32 -3.945 -1.579 -4.799 1.00 0.00 C ATOM 0 H THR A 32 -4.568 -0.731 -7.854 1.00 0.00 H new ATOM 0 HA THR A 32 -1.910 -1.674 -6.895 1.00 0.00 H new ATOM 0 HB THR A 32 -2.973 -3.333 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.487 -2.469 -6.728 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.434 -2.104 -3.978 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.007 -1.149 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.597 -0.783 -5.160 1.00 0.00 H new ATOM 177 N PRO A 33 -2.221 -3.914 -8.440 1.00 0.00 N ATOM 178 CA PRO A 33 -2.297 -4.899 -9.559 1.00 0.00 C ATOM 179 C PRO A 33 -3.703 -5.541 -9.703 1.00 0.00 C ATOM 180 O PRO A 33 -4.018 -6.144 -10.728 1.00 0.00 O ATOM 181 CB PRO A 33 -1.228 -5.958 -9.163 1.00 0.00 C ATOM 182 CG PRO A 33 -1.061 -5.809 -7.680 1.00 0.00 C ATOM 183 CD PRO A 33 -1.205 -4.333 -7.422 1.00 0.00 C ATOM 0 HA PRO A 33 -2.118 -4.436 -10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.555 -6.965 -9.424 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.287 -5.783 -9.685 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.814 -6.380 -7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.088 -6.174 -7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.544 -4.132 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.260 -3.806 -7.553 1.00 0.00 H new ATOM 191 N LYS A 34 -4.531 -5.388 -8.661 1.00 0.00 N ATOM 192 CA LYS A 34 -5.836 -6.053 -8.528 1.00 0.00 C ATOM 193 C LYS A 34 -6.992 -5.120 -8.947 1.00 0.00 C ATOM 194 O LYS A 34 -7.851 -5.506 -9.749 1.00 0.00 O ATOM 195 CB LYS A 34 -5.959 -6.517 -7.053 1.00 0.00 C ATOM 196 CG LYS A 34 -4.886 -7.565 -6.664 1.00 0.00 C ATOM 197 CD LYS A 34 -4.773 -7.812 -5.142 1.00 0.00 C ATOM 198 CE LYS A 34 -4.023 -9.114 -4.808 1.00 0.00 C ATOM 199 NZ LYS A 34 -4.645 -10.284 -5.487 1.00 0.00 N ATOM 0 H LYS A 34 -4.308 -4.785 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.903 -6.912 -9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.871 -5.652 -6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.950 -6.941 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.118 -8.508 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.918 -7.236 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.258 -6.971 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.772 -7.851 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.981 -9.025 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.026 -9.272 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.652 -11.098 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.621 -10.049 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.097 -10.523 -6.338 1.00 0.00 H new ATOM 213 N GLU A 35 -6.976 -3.879 -8.421 1.00 0.00 N ATOM 214 CA GLU A 35 -8.036 -2.859 -8.657 1.00 0.00 C ATOM 215 C GLU A 35 -7.566 -1.491 -8.110 1.00 0.00 C ATOM 216 O GLU A 35 -6.392 -1.337 -7.787 1.00 0.00 O ATOM 217 CB GLU A 35 -9.371 -3.303 -7.987 1.00 0.00 C ATOM 218 CG GLU A 35 -9.313 -3.396 -6.449 1.00 0.00 C ATOM 219 CD GLU A 35 -10.571 -4.000 -5.801 1.00 0.00 C ATOM 220 OE1 GLU A 35 -11.678 -3.489 -6.049 1.00 0.00 O ATOM 221 OE2 GLU A 35 -10.460 -4.970 -5.016 1.00 0.00 O ATOM 0 H GLU A 35 -6.225 -3.547 -7.815 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.216 -2.762 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.155 -2.599 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.658 -4.276 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.449 -3.997 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.154 -2.397 -6.042 1.00 0.00 H new ATOM 228 N LYS A 36 -8.464 -0.491 -8.026 1.00 0.00 N ATOM 229 CA LYS A 36 -8.149 0.793 -7.347 1.00 0.00 C ATOM 230 C LYS A 36 -9.214 1.076 -6.275 1.00 0.00 C ATOM 231 O LYS A 36 -10.409 1.123 -6.582 1.00 0.00 O ATOM 232 CB LYS A 36 -8.069 1.967 -8.360 1.00 0.00 C ATOM 233 CG LYS A 36 -7.558 3.288 -7.754 1.00 0.00 C ATOM 234 CD LYS A 36 -7.505 4.471 -8.758 1.00 0.00 C ATOM 235 CE LYS A 36 -8.896 4.971 -9.219 1.00 0.00 C ATOM 236 NZ LYS A 36 -9.525 4.105 -10.251 1.00 0.00 N ATOM 0 H LYS A 36 -9.406 -0.540 -8.414 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.171 0.706 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.413 1.679 -9.182 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.059 2.134 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.201 3.564 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.560 3.126 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.967 5.300 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.932 4.165 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.557 5.031 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.797 5.982 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.893 4.696 -11.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.816 3.444 -10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.306 3.568 -9.824 1.00 0.00 H new ATOM 250 N GLU A 37 -8.762 1.282 -5.022 1.00 0.00 N ATOM 251 CA GLU A 37 -9.649 1.484 -3.847 1.00 0.00 C ATOM 252 C GLU A 37 -9.366 2.829 -3.160 1.00 0.00 C ATOM 253 O GLU A 37 -8.343 3.459 -3.400 1.00 0.00 O ATOM 254 CB GLU A 37 -9.485 0.306 -2.843 1.00 0.00 C ATOM 255 CG GLU A 37 -9.972 -1.061 -3.376 1.00 0.00 C ATOM 256 CD GLU A 37 -11.500 -1.130 -3.586 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.998 -0.724 -4.659 1.00 0.00 O ATOM 258 OE2 GLU A 37 -12.216 -1.585 -2.671 1.00 0.00 O ATOM 0 H GLU A 37 -7.769 1.314 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.681 1.504 -4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.433 0.222 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.033 0.543 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.473 -1.272 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.673 -1.842 -2.677 1.00 0.00 H new ATOM 265 N GLU A 38 -10.294 3.232 -2.284 1.00 0.00 N ATOM 266 CA GLU A 38 -10.264 4.517 -1.569 1.00 0.00 C ATOM 267 C GLU A 38 -10.173 4.245 -0.060 1.00 0.00 C ATOM 268 O GLU A 38 -10.894 3.388 0.468 1.00 0.00 O ATOM 269 CB GLU A 38 -11.539 5.338 -1.897 1.00 0.00 C ATOM 270 CG GLU A 38 -11.662 6.677 -1.136 1.00 0.00 C ATOM 271 CD GLU A 38 -12.997 7.390 -1.396 1.00 0.00 C ATOM 272 OE1 GLU A 38 -14.030 6.954 -0.842 1.00 0.00 O ATOM 273 OE2 GLU A 38 -13.022 8.386 -2.147 1.00 0.00 O ATOM 0 H GLU A 38 -11.106 2.662 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.396 5.095 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.557 5.542 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.414 4.728 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.556 6.493 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.842 7.333 -1.429 1.00 0.00 H new ATOM 280 N PHE A 39 -9.290 4.989 0.623 1.00 0.00 N ATOM 281 CA PHE A 39 -8.990 4.798 2.059 1.00 0.00 C ATOM 282 C PHE A 39 -9.170 6.123 2.805 1.00 0.00 C ATOM 283 O PHE A 39 -8.957 7.189 2.236 1.00 0.00 O ATOM 284 CB PHE A 39 -7.549 4.260 2.236 1.00 0.00 C ATOM 285 CG PHE A 39 -7.318 2.951 1.488 1.00 0.00 C ATOM 286 CD1 PHE A 39 -7.690 1.737 2.056 1.00 0.00 C ATOM 287 CD2 PHE A 39 -6.783 2.943 0.200 1.00 0.00 C ATOM 288 CE1 PHE A 39 -7.521 0.557 1.367 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.621 1.759 -0.489 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.989 0.566 0.094 1.00 0.00 C ATOM 0 H PHE A 39 -8.758 5.747 0.196 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.681 4.066 2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.839 5.008 1.881 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.349 4.109 3.297 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.116 1.720 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.492 3.874 -0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.806 -0.379 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.206 1.767 -1.486 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.861 -0.361 -0.445 1.00 0.00 H new ATOM 300 N ALA A 40 -9.568 6.044 4.078 1.00 0.00 N ATOM 301 CA ALA A 40 -9.846 7.219 4.914 1.00 0.00 C ATOM 302 C ALA A 40 -8.834 7.283 6.070 1.00 0.00 C ATOM 303 O ALA A 40 -8.869 6.449 6.976 1.00 0.00 O ATOM 304 CB ALA A 40 -11.286 7.143 5.428 1.00 0.00 C ATOM 0 H ALA A 40 -9.708 5.157 4.562 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.741 8.132 4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.497 8.013 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.974 7.125 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.414 6.236 6.019 1.00 0.00 H new ATOM 310 N VAL A 41 -7.916 8.260 6.008 1.00 0.00 N ATOM 311 CA VAL A 41 -6.837 8.449 7.006 1.00 0.00 C ATOM 312 C VAL A 41 -6.807 9.923 7.456 1.00 0.00 C ATOM 313 O VAL A 41 -7.129 10.800 6.651 1.00 0.00 O ATOM 314 CB VAL A 41 -5.430 8.020 6.439 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.408 6.521 6.057 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.981 8.903 5.252 1.00 0.00 C ATOM 0 H VAL A 41 -7.897 8.951 5.258 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.049 7.807 7.861 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.709 8.174 7.242 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.423 6.259 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.624 5.918 6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.161 6.329 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.007 8.568 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.708 8.824 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.911 9.941 5.577 1.00 0.00 H new ATOM 326 N PRO A 42 -6.466 10.231 8.749 1.00 0.00 N ATOM 327 CA PRO A 42 -6.474 11.625 9.274 1.00 0.00 C ATOM 328 C PRO A 42 -5.216 12.444 8.868 1.00 0.00 C ATOM 329 O PRO A 42 -4.554 13.030 9.721 1.00 0.00 O ATOM 330 CB PRO A 42 -6.561 11.386 10.803 1.00 0.00 C ATOM 331 CG PRO A 42 -5.795 10.116 11.021 1.00 0.00 C ATOM 332 CD PRO A 42 -6.095 9.249 9.815 1.00 0.00 C ATOM 0 HA PRO A 42 -7.288 12.230 8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.125 12.215 11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.595 11.289 11.133 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.726 10.312 11.107 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.104 9.625 11.944 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.229 8.654 9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.908 8.552 10.017 1.00 0.00 H new ATOM 340 N GLU A 43 -4.920 12.467 7.543 1.00 0.00 N ATOM 341 CA GLU A 43 -3.794 13.206 6.879 1.00 0.00 C ATOM 342 C GLU A 43 -2.405 13.058 7.557 1.00 0.00 C ATOM 343 O GLU A 43 -1.456 13.772 7.202 1.00 0.00 O ATOM 344 CB GLU A 43 -4.146 14.721 6.674 1.00 0.00 C ATOM 345 CG GLU A 43 -4.008 15.642 7.913 1.00 0.00 C ATOM 346 CD GLU A 43 -4.316 17.121 7.615 1.00 0.00 C ATOM 347 OE1 GLU A 43 -3.844 17.642 6.576 1.00 0.00 O ATOM 348 OE2 GLU A 43 -5.034 17.772 8.407 1.00 0.00 O ATOM 0 H GLU A 43 -5.482 11.948 6.868 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.691 12.716 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.506 15.115 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.173 14.786 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.680 15.289 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.994 15.562 8.305 1.00 0.00 H new ATOM 355 N ASN A 44 -2.276 12.104 8.484 1.00 0.00 N ATOM 356 CA ASN A 44 -1.081 11.958 9.334 1.00 0.00 C ATOM 357 C ASN A 44 -0.682 10.475 9.464 1.00 0.00 C ATOM 358 O ASN A 44 0.367 10.155 10.042 1.00 0.00 O ATOM 359 CB ASN A 44 -1.360 12.630 10.709 1.00 0.00 C ATOM 360 CG ASN A 44 -0.172 12.602 11.674 1.00 0.00 C ATOM 361 OD1 ASN A 44 -0.099 11.752 12.559 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.787 13.499 11.480 1.00 0.00 N ATOM 0 H ASN A 44 -2.997 11.407 8.670 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.228 12.461 8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.653 13.666 10.541 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.207 12.131 11.179 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.616 13.496 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.695 14.191 10.736 1.00 0.00 H new ATOM 369 N SER A 45 -1.512 9.567 8.912 1.00 0.00 N ATOM 370 CA SER A 45 -1.140 8.162 8.767 1.00 0.00 C ATOM 371 C SER A 45 0.043 8.049 7.796 1.00 0.00 C ATOM 372 O SER A 45 -0.107 8.319 6.595 1.00 0.00 O ATOM 373 CB SER A 45 -2.336 7.327 8.262 1.00 0.00 C ATOM 374 OG SER A 45 -3.433 7.417 9.153 1.00 0.00 O ATOM 0 H SER A 45 -2.443 9.791 8.562 1.00 0.00 H new ATOM 0 HA SER A 45 -0.847 7.769 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.636 7.677 7.274 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.036 6.285 8.154 1.00 0.00 H new ATOM 0 HG SER A 45 -4.116 6.762 8.898 1.00 0.00 H new ATOM 380 N SER A 46 1.226 7.705 8.334 1.00 0.00 N ATOM 381 CA SER A 46 2.404 7.362 7.528 1.00 0.00 C ATOM 382 C SER A 46 2.100 6.134 6.673 1.00 0.00 C ATOM 383 O SER A 46 1.154 5.412 6.964 1.00 0.00 O ATOM 384 CB SER A 46 3.603 7.082 8.450 1.00 0.00 C ATOM 385 OG SER A 46 3.814 8.169 9.329 1.00 0.00 O ATOM 0 H SER A 46 1.389 7.658 9.340 1.00 0.00 H new ATOM 0 HA SER A 46 2.651 8.198 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.424 6.172 9.023 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.498 6.911 7.852 1.00 0.00 H new ATOM 0 HG SER A 46 4.027 8.973 8.810 1.00 0.00 H new ATOM 391 N VAL A 47 2.916 5.891 5.640 1.00 0.00 N ATOM 392 CA VAL A 47 2.828 4.666 4.814 1.00 0.00 C ATOM 393 C VAL A 47 2.919 3.394 5.706 1.00 0.00 C ATOM 394 O VAL A 47 2.335 2.366 5.384 1.00 0.00 O ATOM 395 CB VAL A 47 3.942 4.683 3.699 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.014 3.355 2.893 1.00 0.00 C ATOM 397 CG2 VAL A 47 3.726 5.898 2.754 1.00 0.00 C ATOM 0 H VAL A 47 3.655 6.531 5.349 1.00 0.00 H new ATOM 0 HA VAL A 47 1.859 4.641 4.316 1.00 0.00 H new ATOM 0 HB VAL A 47 4.903 4.783 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.799 3.428 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.236 2.530 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.057 3.175 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.499 5.904 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.746 5.822 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.781 6.821 3.330 1.00 0.00 H new ATOM 407 N GLN A 48 3.628 3.531 6.847 1.00 0.00 N ATOM 408 CA GLN A 48 3.656 2.548 7.952 1.00 0.00 C ATOM 409 C GLN A 48 2.241 2.236 8.491 1.00 0.00 C ATOM 410 O GLN A 48 1.867 1.078 8.631 1.00 0.00 O ATOM 411 CB GLN A 48 4.534 3.102 9.107 1.00 0.00 C ATOM 412 CG GLN A 48 4.741 2.128 10.291 1.00 0.00 C ATOM 413 CD GLN A 48 5.785 2.612 11.304 1.00 0.00 C ATOM 414 OE1 GLN A 48 5.974 3.810 11.504 1.00 0.00 O ATOM 415 NE2 GLN A 48 6.474 1.683 11.943 1.00 0.00 N ATOM 0 H GLN A 48 4.211 4.348 7.030 1.00 0.00 H new ATOM 0 HA GLN A 48 4.074 1.620 7.561 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.510 3.374 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.078 4.018 9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.790 1.983 10.803 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.046 1.156 9.903 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.295 0.696 11.756 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.185 1.953 12.623 1.00 0.00 H new ATOM 424 N GLN A 49 1.481 3.290 8.796 1.00 0.00 N ATOM 425 CA GLN A 49 0.124 3.183 9.368 1.00 0.00 C ATOM 426 C GLN A 49 -0.925 2.879 8.266 1.00 0.00 C ATOM 427 O GLN A 49 -1.977 2.278 8.524 1.00 0.00 O ATOM 428 CB GLN A 49 -0.205 4.516 10.095 1.00 0.00 C ATOM 429 CG GLN A 49 -1.537 4.548 10.878 1.00 0.00 C ATOM 430 CD GLN A 49 -1.550 3.662 12.128 1.00 0.00 C ATOM 431 OE1 GLN A 49 -0.529 3.442 12.775 1.00 0.00 O ATOM 432 NE2 GLN A 49 -2.720 3.193 12.512 1.00 0.00 N ATOM 0 H GLN A 49 1.787 4.253 8.654 1.00 0.00 H new ATOM 0 HA GLN A 49 0.089 2.356 10.077 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.606 4.739 10.788 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.222 5.316 9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.748 5.576 11.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.343 4.234 10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.554 3.389 11.959 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.791 2.634 13.363 1.00 0.00 H new ATOM 441 N PHE A 50 -0.581 3.265 7.027 1.00 0.00 N ATOM 442 CA PHE A 50 -1.515 3.328 5.893 1.00 0.00 C ATOM 443 C PHE A 50 -1.592 2.001 5.128 1.00 0.00 C ATOM 444 O PHE A 50 -2.685 1.571 4.750 1.00 0.00 O ATOM 445 CB PHE A 50 -1.083 4.481 4.951 1.00 0.00 C ATOM 446 CG PHE A 50 -1.941 4.661 3.704 1.00 0.00 C ATOM 447 CD1 PHE A 50 -3.322 4.804 3.804 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.367 4.701 2.439 1.00 0.00 C ATOM 449 CE1 PHE A 50 -4.095 4.982 2.683 1.00 0.00 C ATOM 450 CE2 PHE A 50 -2.144 4.883 1.317 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.509 5.020 1.440 1.00 0.00 C ATOM 0 H PHE A 50 0.368 3.546 6.782 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.515 3.518 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.093 5.413 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.053 4.308 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.792 4.775 4.776 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.298 4.588 2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.165 5.092 2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.683 4.918 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.119 5.157 0.560 1.00 0.00 H new ATOM 461 N LYS A 51 -0.433 1.344 4.898 1.00 0.00 N ATOM 462 CA LYS A 51 -0.385 0.099 4.101 1.00 0.00 C ATOM 463 C LYS A 51 -1.069 -1.056 4.862 1.00 0.00 C ATOM 464 O LYS A 51 -1.459 -2.042 4.262 1.00 0.00 O ATOM 465 CB LYS A 51 1.082 -0.244 3.635 1.00 0.00 C ATOM 466 CG LYS A 51 1.952 -1.184 4.519 1.00 0.00 C ATOM 467 CD LYS A 51 2.167 -0.703 5.981 1.00 0.00 C ATOM 468 CE LYS A 51 3.403 -1.340 6.650 1.00 0.00 C ATOM 469 NZ LYS A 51 3.441 -1.130 8.121 1.00 0.00 N ATOM 0 H LYS A 51 0.474 1.652 5.250 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.952 0.254 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.016 -0.692 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.621 0.697 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.486 -2.169 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.926 -1.303 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.275 0.382 5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.280 -0.939 6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.411 -2.410 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.306 -0.921 6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.416 -1.248 8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.110 -0.170 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.824 -1.825 8.587 1.00 0.00 H new ATOM 483 N GLU A 52 -1.234 -0.870 6.192 1.00 0.00 N ATOM 484 CA GLU A 52 -1.999 -1.778 7.067 1.00 0.00 C ATOM 485 C GLU A 52 -3.504 -1.704 6.730 1.00 0.00 C ATOM 486 O GLU A 52 -4.187 -2.733 6.653 1.00 0.00 O ATOM 487 CB GLU A 52 -1.761 -1.402 8.552 1.00 0.00 C ATOM 488 CG GLU A 52 -0.277 -1.314 8.954 1.00 0.00 C ATOM 489 CD GLU A 52 -0.073 -0.982 10.443 1.00 0.00 C ATOM 490 OE1 GLU A 52 -0.365 0.159 10.852 1.00 0.00 O ATOM 491 OE2 GLU A 52 0.381 -1.863 11.206 1.00 0.00 O ATOM 0 H GLU A 52 -0.834 -0.075 6.690 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.658 -2.800 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.237 -0.442 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.254 -2.140 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.211 -2.262 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.213 -0.552 8.348 1.00 0.00 H new ATOM 498 N GLU A 53 -3.987 -0.458 6.522 1.00 0.00 N ATOM 499 CA GLU A 53 -5.367 -0.165 6.082 1.00 0.00 C ATOM 500 C GLU A 53 -5.642 -0.777 4.692 1.00 0.00 C ATOM 501 O GLU A 53 -6.772 -1.187 4.394 1.00 0.00 O ATOM 502 CB GLU A 53 -5.607 1.377 6.047 1.00 0.00 C ATOM 503 CG GLU A 53 -5.516 2.095 7.413 1.00 0.00 C ATOM 504 CD GLU A 53 -6.695 1.773 8.352 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.804 2.308 8.135 1.00 0.00 O ATOM 506 OE2 GLU A 53 -6.532 0.980 9.304 1.00 0.00 O ATOM 0 H GLU A 53 -3.422 0.380 6.657 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.056 -0.615 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.879 1.825 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.593 1.564 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.584 1.813 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.476 3.172 7.248 1.00 0.00 H new ATOM 513 N ILE A 54 -4.594 -0.820 3.847 1.00 0.00 N ATOM 514 CA ILE A 54 -4.670 -1.438 2.511 1.00 0.00 C ATOM 515 C ILE A 54 -4.582 -2.989 2.618 1.00 0.00 C ATOM 516 O ILE A 54 -5.179 -3.714 1.813 1.00 0.00 O ATOM 517 CB ILE A 54 -3.534 -0.915 1.554 1.00 0.00 C ATOM 518 CG1 ILE A 54 -3.364 0.638 1.612 1.00 0.00 C ATOM 519 CG2 ILE A 54 -3.802 -1.357 0.094 1.00 0.00 C ATOM 520 CD1 ILE A 54 -2.176 1.156 0.804 1.00 0.00 C ATOM 0 H ILE A 54 -3.678 -0.430 4.070 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.632 -1.154 2.085 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.604 -1.360 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.276 1.108 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.246 0.943 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.006 -0.985 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.832 -2.445 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.757 -0.952 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.122 2.241 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.256 0.715 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.302 0.883 -0.244 1.00 0.00 H new ATOM 532 N SER A 55 -3.827 -3.481 3.628 1.00 0.00 N ATOM 533 CA SER A 55 -3.592 -4.928 3.838 1.00 0.00 C ATOM 534 C SER A 55 -4.889 -5.666 4.211 1.00 0.00 C ATOM 535 O SER A 55 -5.165 -6.727 3.667 1.00 0.00 O ATOM 536 CB SER A 55 -2.495 -5.158 4.908 1.00 0.00 C ATOM 537 OG SER A 55 -1.227 -4.747 4.430 1.00 0.00 O ATOM 0 H SER A 55 -3.365 -2.888 4.318 1.00 0.00 H new ATOM 0 HA SER A 55 -3.241 -5.344 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.743 -4.605 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.461 -6.213 5.179 1.00 0.00 H new ATOM 0 HG SER A 55 -1.157 -3.771 4.485 1.00 0.00 H new ATOM 543 N LYS A 56 -5.689 -5.075 5.120 1.00 0.00 N ATOM 544 CA LYS A 56 -7.001 -5.638 5.535 1.00 0.00 C ATOM 545 C LYS A 56 -8.040 -5.531 4.397 1.00 0.00 C ATOM 546 O LYS A 56 -9.053 -6.225 4.411 1.00 0.00 O ATOM 547 CB LYS A 56 -7.527 -4.901 6.802 1.00 0.00 C ATOM 548 CG LYS A 56 -7.856 -3.408 6.564 1.00 0.00 C ATOM 549 CD LYS A 56 -8.397 -2.680 7.814 1.00 0.00 C ATOM 550 CE LYS A 56 -8.737 -1.208 7.516 1.00 0.00 C ATOM 551 NZ LYS A 56 -9.170 -0.467 8.728 1.00 0.00 N ATOM 0 H LYS A 56 -5.452 -4.200 5.588 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.854 -6.693 5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.423 -5.408 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.780 -4.977 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.956 -2.898 6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.592 -3.331 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.288 -3.193 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.656 -2.728 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.864 -0.717 7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.527 -1.166 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.824 0.294 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.651 -1.119 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.339 -0.057 9.200 1.00 0.00 H new ATOM 565 N ARG A 57 -7.770 -4.639 3.429 1.00 0.00 N ATOM 566 CA ARG A 57 -8.659 -4.395 2.282 1.00 0.00 C ATOM 567 C ARG A 57 -8.510 -5.527 1.244 1.00 0.00 C ATOM 568 O ARG A 57 -9.501 -6.135 0.824 1.00 0.00 O ATOM 569 CB ARG A 57 -8.330 -3.014 1.652 1.00 0.00 C ATOM 570 CG ARG A 57 -9.364 -2.488 0.630 1.00 0.00 C ATOM 571 CD ARG A 57 -10.736 -2.226 1.270 1.00 0.00 C ATOM 572 NE ARG A 57 -11.717 -1.712 0.305 1.00 0.00 N ATOM 573 CZ ARG A 57 -12.807 -0.991 0.617 1.00 0.00 C ATOM 574 NH1 ARG A 57 -13.044 -0.620 1.866 1.00 0.00 N ATOM 575 NH2 ARG A 57 -13.664 -0.648 -0.331 1.00 0.00 N ATOM 0 H ARG A 57 -6.926 -4.066 3.421 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.695 -4.383 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.232 -2.282 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.359 -3.080 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.992 -1.566 0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.474 -3.212 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.112 -3.151 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.623 -1.511 2.085 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.558 -1.919 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.394 -0.881 2.608 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.876 -0.073 2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.497 -0.931 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.492 -0.101 -0.096 1.00 0.00 H new ATOM 589 N PHE A 58 -7.247 -5.814 0.873 1.00 0.00 N ATOM 590 CA PHE A 58 -6.896 -6.862 -0.118 1.00 0.00 C ATOM 591 C PHE A 58 -6.586 -8.205 0.560 1.00 0.00 C ATOM 592 O PHE A 58 -6.219 -9.162 -0.120 1.00 0.00 O ATOM 593 CB PHE A 58 -5.695 -6.386 -0.978 1.00 0.00 C ATOM 594 CG PHE A 58 -6.054 -5.188 -1.854 1.00 0.00 C ATOM 595 CD1 PHE A 58 -6.709 -5.379 -3.064 1.00 0.00 C ATOM 596 CD2 PHE A 58 -5.787 -3.880 -1.449 1.00 0.00 C ATOM 597 CE1 PHE A 58 -7.084 -4.308 -3.839 1.00 0.00 C ATOM 598 CE2 PHE A 58 -6.158 -2.803 -2.233 1.00 0.00 C ATOM 599 CZ PHE A 58 -6.811 -3.022 -3.428 1.00 0.00 C ATOM 0 H PHE A 58 -6.435 -5.326 1.251 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.758 -7.023 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.864 -6.120 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.354 -7.207 -1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.926 -6.382 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.283 -3.706 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.595 -4.475 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.938 -1.796 -1.911 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.108 -2.185 -4.042 1.00 0.00 H new ATOM 609 N LYS A 59 -6.712 -8.240 1.911 1.00 0.00 N ATOM 610 CA LYS A 59 -6.502 -9.444 2.763 1.00 0.00 C ATOM 611 C LYS A 59 -5.035 -9.934 2.715 1.00 0.00 C ATOM 612 O LYS A 59 -4.725 -11.057 3.129 1.00 0.00 O ATOM 613 CB LYS A 59 -7.519 -10.574 2.414 1.00 0.00 C ATOM 614 CG LYS A 59 -8.998 -10.113 2.364 1.00 0.00 C ATOM 615 CD LYS A 59 -9.466 -9.423 3.670 1.00 0.00 C ATOM 616 CE LYS A 59 -10.898 -8.863 3.563 1.00 0.00 C ATOM 617 NZ LYS A 59 -11.289 -8.106 4.781 1.00 0.00 N ATOM 0 H LYS A 59 -6.968 -7.415 2.453 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.696 -9.153 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.251 -11.001 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.425 -11.371 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.129 -9.424 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.635 -10.976 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.420 -10.138 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.780 -8.612 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.969 -8.211 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.598 -9.684 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.252 -7.731 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.262 -8.738 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.627 -7.318 4.927 1.00 0.00 H new ATOM 631 N SER A 60 -4.139 -9.048 2.246 1.00 0.00 N ATOM 632 CA SER A 60 -2.704 -9.321 2.092 1.00 0.00 C ATOM 633 C SER A 60 -1.948 -8.930 3.372 1.00 0.00 C ATOM 634 O SER A 60 -2.508 -8.279 4.250 1.00 0.00 O ATOM 635 CB SER A 60 -2.179 -8.525 0.877 1.00 0.00 C ATOM 636 OG SER A 60 -2.914 -8.830 -0.301 1.00 0.00 O ATOM 0 H SER A 60 -4.400 -8.105 1.959 1.00 0.00 H new ATOM 0 HA SER A 60 -2.542 -10.386 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.247 -7.457 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.125 -8.753 0.719 1.00 0.00 H new ATOM 0 HG SER A 60 -3.063 -8.009 -0.816 1.00 0.00 H new ATOM 642 N HIS A 61 -0.678 -9.346 3.477 1.00 0.00 N ATOM 643 CA HIS A 61 0.194 -9.001 4.627 1.00 0.00 C ATOM 644 C HIS A 61 1.084 -7.807 4.247 1.00 0.00 C ATOM 645 O HIS A 61 1.514 -7.723 3.099 1.00 0.00 O ATOM 646 CB HIS A 61 1.055 -10.218 5.043 1.00 0.00 C ATOM 647 CG HIS A 61 0.246 -11.424 5.440 1.00 0.00 C ATOM 648 ND1 HIS A 61 0.048 -11.810 6.744 1.00 0.00 N ATOM 649 CD2 HIS A 61 -0.421 -12.330 4.686 1.00 0.00 C ATOM 650 CE1 HIS A 61 -0.699 -12.894 6.774 1.00 0.00 C ATOM 651 NE2 HIS A 61 -0.996 -13.231 5.536 1.00 0.00 N ATOM 0 H HIS A 61 -0.221 -9.928 2.775 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.426 -8.727 5.480 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.711 -10.488 4.215 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.696 -9.931 5.877 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.486 -12.338 3.608 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.015 -13.418 7.664 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -1.562 -14.033 5.258 1.00 0.00 H new ATOM 660 N THR A 62 1.382 -6.934 5.227 1.00 0.00 N ATOM 661 CA THR A 62 2.053 -5.630 5.017 1.00 0.00 C ATOM 662 C THR A 62 3.450 -5.741 4.351 1.00 0.00 C ATOM 663 O THR A 62 3.847 -4.848 3.591 1.00 0.00 O ATOM 664 CB THR A 62 2.175 -4.871 6.377 1.00 0.00 C ATOM 665 OG1 THR A 62 2.782 -5.725 7.360 1.00 0.00 O ATOM 666 CG2 THR A 62 0.811 -4.391 6.906 1.00 0.00 C ATOM 0 H THR A 62 1.161 -7.115 6.206 1.00 0.00 H new ATOM 0 HA THR A 62 1.425 -5.074 4.321 1.00 0.00 H new ATOM 0 HB THR A 62 2.794 -3.992 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.857 -5.243 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.951 -3.870 7.853 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.358 -3.713 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.157 -5.250 7.058 1.00 0.00 H new ATOM 674 N ASP A 63 4.169 -6.847 4.631 1.00 0.00 N ATOM 675 CA ASP A 63 5.507 -7.139 4.046 1.00 0.00 C ATOM 676 C ASP A 63 5.432 -7.247 2.502 1.00 0.00 C ATOM 677 O ASP A 63 6.406 -6.943 1.800 1.00 0.00 O ATOM 678 CB ASP A 63 6.069 -8.453 4.668 1.00 0.00 C ATOM 679 CG ASP A 63 7.413 -8.932 4.060 1.00 0.00 C ATOM 680 OD1 ASP A 63 8.487 -8.491 4.525 1.00 0.00 O ATOM 681 OD2 ASP A 63 7.399 -9.759 3.116 1.00 0.00 O ATOM 0 H ASP A 63 3.842 -7.570 5.272 1.00 0.00 H new ATOM 0 HA ASP A 63 6.181 -6.315 4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.203 -8.304 5.739 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.328 -9.243 4.546 1.00 0.00 H new ATOM 686 N GLN A 64 4.260 -7.659 1.996 1.00 0.00 N ATOM 687 CA GLN A 64 4.016 -7.824 0.550 1.00 0.00 C ATOM 688 C GLN A 64 3.774 -6.470 -0.149 1.00 0.00 C ATOM 689 O GLN A 64 4.063 -6.326 -1.337 1.00 0.00 O ATOM 690 CB GLN A 64 2.813 -8.775 0.312 1.00 0.00 C ATOM 691 CG GLN A 64 2.946 -10.146 1.007 1.00 0.00 C ATOM 692 CD GLN A 64 1.843 -11.163 0.681 1.00 0.00 C ATOM 693 OE1 GLN A 64 2.066 -12.369 0.758 1.00 0.00 O ATOM 694 NE2 GLN A 64 0.662 -10.710 0.278 1.00 0.00 N ATOM 0 H GLN A 64 3.453 -7.888 2.576 1.00 0.00 H new ATOM 0 HA GLN A 64 4.912 -8.264 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.904 -8.288 0.664 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.695 -8.933 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.908 -10.580 0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.962 -9.987 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.494 -9.706 0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.077 -11.366 0.027 1.00 0.00 H new ATOM 703 N LEU A 65 3.249 -5.491 0.609 1.00 0.00 N ATOM 704 CA LEU A 65 2.835 -4.179 0.070 1.00 0.00 C ATOM 705 C LEU A 65 4.009 -3.179 0.047 1.00 0.00 C ATOM 706 O LEU A 65 4.573 -2.851 1.093 1.00 0.00 O ATOM 707 CB LEU A 65 1.652 -3.581 0.899 1.00 0.00 C ATOM 708 CG LEU A 65 0.236 -4.225 0.685 1.00 0.00 C ATOM 709 CD1 LEU A 65 0.133 -5.640 1.277 1.00 0.00 C ATOM 710 CD2 LEU A 65 -0.875 -3.318 1.248 1.00 0.00 C ATOM 0 H LEU A 65 3.099 -5.585 1.613 1.00 0.00 H new ATOM 0 HA LEU A 65 2.503 -4.345 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.904 -3.661 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.579 -2.518 0.668 1.00 0.00 H new ATOM 0 HG LEU A 65 0.098 -4.320 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.867 -6.037 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.870 -6.288 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.323 -5.600 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.845 -3.788 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.717 -3.170 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.850 -2.354 0.740 1.00 0.00 H new ATOM 722 N VAL A 66 4.370 -2.715 -1.159 1.00 0.00 N ATOM 723 CA VAL A 66 5.234 -1.533 -1.361 1.00 0.00 C ATOM 724 C VAL A 66 4.450 -0.475 -2.164 1.00 0.00 C ATOM 725 O VAL A 66 3.977 -0.755 -3.275 1.00 0.00 O ATOM 726 CB VAL A 66 6.603 -1.872 -2.099 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.615 -2.555 -1.151 1.00 0.00 C ATOM 728 CG2 VAL A 66 6.385 -2.740 -3.361 1.00 0.00 C ATOM 0 H VAL A 66 4.070 -3.150 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 66 5.505 -1.153 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 66 7.022 -0.917 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.535 -2.769 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.834 -1.892 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.190 -3.486 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.346 -2.946 -3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.910 -3.680 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.744 -2.207 -4.063 1.00 0.00 H new ATOM 738 N LEU A 67 4.285 0.730 -1.588 1.00 0.00 N ATOM 739 CA LEU A 67 3.693 1.867 -2.305 1.00 0.00 C ATOM 740 C LEU A 67 4.790 2.510 -3.159 1.00 0.00 C ATOM 741 O LEU A 67 5.950 2.513 -2.764 1.00 0.00 O ATOM 742 CB LEU A 67 3.105 2.921 -1.321 1.00 0.00 C ATOM 743 CG LEU A 67 1.775 2.548 -0.583 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.315 3.704 0.335 1.00 0.00 C ATOM 745 CD2 LEU A 67 0.648 2.183 -1.584 1.00 0.00 C ATOM 0 H LEU A 67 4.555 0.938 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 67 2.872 1.510 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.861 3.137 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.936 3.844 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 67 1.980 1.670 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.389 3.423 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.085 3.906 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.146 4.599 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.259 1.930 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.451 3.034 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.958 1.328 -2.185 1.00 0.00 H new ATOM 757 N ILE A 68 4.427 2.986 -4.358 1.00 0.00 N ATOM 758 CA ILE A 68 5.330 3.749 -5.228 1.00 0.00 C ATOM 759 C ILE A 68 4.668 5.092 -5.549 1.00 0.00 C ATOM 760 O ILE A 68 3.490 5.148 -5.930 1.00 0.00 O ATOM 761 CB ILE A 68 5.715 3.005 -6.578 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.476 1.658 -6.313 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.564 3.922 -7.510 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.601 0.474 -5.936 1.00 0.00 C ATOM 0 H ILE A 68 3.496 2.852 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 68 6.266 3.878 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 68 4.777 2.769 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.042 1.399 -7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.200 1.821 -5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.811 3.383 -8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.993 4.816 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.483 4.209 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.226 -0.404 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.054 0.702 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.894 0.273 -6.741 1.00 0.00 H new ATOM 776 N PHE A 69 5.445 6.157 -5.381 1.00 0.00 N ATOM 777 CA PHE A 69 5.050 7.522 -5.742 1.00 0.00 C ATOM 778 C PHE A 69 6.322 8.324 -6.024 1.00 0.00 C ATOM 779 O PHE A 69 7.363 8.040 -5.424 1.00 0.00 O ATOM 780 CB PHE A 69 4.210 8.174 -4.617 1.00 0.00 C ATOM 781 CG PHE A 69 3.555 9.505 -5.011 1.00 0.00 C ATOM 782 CD1 PHE A 69 2.314 9.529 -5.659 1.00 0.00 C ATOM 783 CD2 PHE A 69 4.173 10.731 -4.733 1.00 0.00 C ATOM 784 CE1 PHE A 69 1.717 10.729 -6.010 1.00 0.00 C ATOM 785 CE2 PHE A 69 3.572 11.924 -5.090 1.00 0.00 C ATOM 786 CZ PHE A 69 2.346 11.926 -5.724 1.00 0.00 C ATOM 0 H PHE A 69 6.383 6.099 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 69 4.420 7.506 -6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.431 7.476 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.850 8.340 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.815 8.599 -5.888 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.131 10.745 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.759 10.729 -6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.065 12.860 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.879 12.861 -5.996 1.00 0.00 H new ATOM 796 N ALA A 70 6.219 9.302 -6.953 1.00 0.00 N ATOM 797 CA ALA A 70 7.354 10.139 -7.411 1.00 0.00 C ATOM 798 C ALA A 70 8.426 9.305 -8.146 1.00 0.00 C ATOM 799 O ALA A 70 9.554 9.767 -8.347 1.00 0.00 O ATOM 800 CB ALA A 70 7.961 10.940 -6.235 1.00 0.00 C ATOM 0 H ALA A 70 5.338 9.535 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 70 6.963 10.854 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.792 11.546 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.199 11.590 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.321 10.250 -5.472 1.00 0.00 H new ATOM 806 N GLY A 71 8.037 8.087 -8.579 1.00 0.00 N ATOM 807 CA GLY A 71 8.952 7.136 -9.209 1.00 0.00 C ATOM 808 C GLY A 71 9.933 6.506 -8.224 1.00 0.00 C ATOM 809 O GLY A 71 11.069 6.208 -8.594 1.00 0.00 O ATOM 0 H GLY A 71 7.080 7.744 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.373 6.348 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.511 7.645 -9.994 1.00 0.00 H new ATOM 813 N LYS A 72 9.490 6.305 -6.965 1.00 0.00 N ATOM 814 CA LYS A 72 10.303 5.670 -5.899 1.00 0.00 C ATOM 815 C LYS A 72 9.389 4.936 -4.898 1.00 0.00 C ATOM 816 O LYS A 72 8.217 5.297 -4.747 1.00 0.00 O ATOM 817 CB LYS A 72 11.213 6.744 -5.212 1.00 0.00 C ATOM 818 CG LYS A 72 10.489 7.965 -4.548 1.00 0.00 C ATOM 819 CD LYS A 72 10.037 7.710 -3.082 1.00 0.00 C ATOM 820 CE LYS A 72 11.224 7.404 -2.153 1.00 0.00 C ATOM 821 NZ LYS A 72 10.790 7.040 -0.788 1.00 0.00 N ATOM 0 H LYS A 72 8.557 6.578 -6.656 1.00 0.00 H new ATOM 0 HA LYS A 72 10.963 4.919 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.808 6.245 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.909 7.127 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.158 8.825 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.616 8.226 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.503 8.585 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.336 6.876 -3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.811 6.588 -2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.878 8.275 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.606 7.075 -0.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.064 7.711 -0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.394 6.078 -0.794 1.00 0.00 H new ATOM 835 N ILE A 73 9.930 3.912 -4.202 1.00 0.00 N ATOM 836 CA ILE A 73 9.150 3.122 -3.223 1.00 0.00 C ATOM 837 C ILE A 73 9.045 3.882 -1.873 1.00 0.00 C ATOM 838 O ILE A 73 10.058 4.291 -1.283 1.00 0.00 O ATOM 839 CB ILE A 73 9.678 1.632 -2.992 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.051 1.542 -2.224 1.00 0.00 C ATOM 841 CG2 ILE A 73 9.748 0.856 -4.335 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.269 2.087 -2.950 1.00 0.00 C ATOM 0 H ILE A 73 10.901 3.614 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 73 8.160 3.009 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 73 8.944 1.161 -2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.949 2.076 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.238 0.496 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.110 -0.156 -4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.755 0.811 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.429 1.367 -5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.151 1.969 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.412 1.540 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.119 3.144 -3.169 1.00 0.00 H new ATOM 854 N LEU A 74 7.804 4.118 -1.441 1.00 0.00 N ATOM 855 CA LEU A 74 7.488 4.715 -0.140 1.00 0.00 C ATOM 856 C LEU A 74 7.675 3.668 0.968 1.00 0.00 C ATOM 857 O LEU A 74 7.025 2.612 0.957 1.00 0.00 O ATOM 858 CB LEU A 74 6.029 5.243 -0.118 1.00 0.00 C ATOM 859 CG LEU A 74 5.604 6.192 -1.282 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.133 6.647 -1.107 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.555 7.411 -1.419 1.00 0.00 C ATOM 0 H LEU A 74 6.976 3.896 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 74 8.163 5.554 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.357 4.384 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.873 5.770 0.823 1.00 0.00 H new ATOM 0 HG LEU A 74 5.681 5.625 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.856 7.308 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.480 5.774 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.027 7.179 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.220 8.043 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.546 7.986 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.568 7.062 -1.619 1.00 0.00 H new ATOM 873 N LYS A 75 8.574 3.972 1.902 1.00 0.00 N ATOM 874 CA LYS A 75 8.854 3.131 3.072 1.00 0.00 C ATOM 875 C LYS A 75 7.992 3.585 4.265 1.00 0.00 C ATOM 876 O LYS A 75 7.149 4.474 4.135 1.00 0.00 O ATOM 877 CB LYS A 75 10.369 3.213 3.420 1.00 0.00 C ATOM 878 CG LYS A 75 11.313 2.890 2.238 1.00 0.00 C ATOM 879 CD LYS A 75 11.143 1.445 1.697 1.00 0.00 C ATOM 880 CE LYS A 75 11.599 0.369 2.700 1.00 0.00 C ATOM 881 NZ LYS A 75 11.309 -1.009 2.218 1.00 0.00 N ATOM 0 H LYS A 75 9.138 4.821 1.870 1.00 0.00 H new ATOM 0 HA LYS A 75 8.603 2.095 2.846 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.592 4.216 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.580 2.523 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.128 3.598 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.346 3.033 2.557 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.096 1.278 1.445 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.714 1.339 0.774 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.669 0.472 2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.100 0.530 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.633 -1.699 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.285 -1.117 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.806 -1.174 1.320 1.00 0.00 H new ATOM 895 N ASP A 76 8.215 2.962 5.430 1.00 0.00 N ATOM 896 CA ASP A 76 7.507 3.302 6.681 1.00 0.00 C ATOM 897 C ASP A 76 7.938 4.682 7.221 1.00 0.00 C ATOM 898 O ASP A 76 7.180 5.330 7.952 1.00 0.00 O ATOM 899 CB ASP A 76 7.728 2.199 7.745 1.00 0.00 C ATOM 900 CG ASP A 76 9.198 1.986 8.128 1.00 0.00 C ATOM 901 OD1 ASP A 76 9.906 1.273 7.393 1.00 0.00 O ATOM 902 OD2 ASP A 76 9.650 2.533 9.158 1.00 0.00 O ATOM 0 H ASP A 76 8.892 2.206 5.536 1.00 0.00 H new ATOM 0 HA ASP A 76 6.442 3.359 6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.163 2.455 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.321 1.260 7.370 1.00 0.00 H new ATOM 907 N GLN A 77 9.153 5.127 6.829 1.00 0.00 N ATOM 908 CA GLN A 77 9.681 6.464 7.183 1.00 0.00 C ATOM 909 C GLN A 77 9.009 7.569 6.329 1.00 0.00 C ATOM 910 O GLN A 77 9.155 8.764 6.610 1.00 0.00 O ATOM 911 CB GLN A 77 11.226 6.502 7.002 1.00 0.00 C ATOM 912 CG GLN A 77 11.724 6.446 5.540 1.00 0.00 C ATOM 913 CD GLN A 77 13.253 6.390 5.418 1.00 0.00 C ATOM 914 OE1 GLN A 77 13.928 7.421 5.402 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.808 5.192 5.297 1.00 0.00 N ATOM 0 H GLN A 77 9.793 4.572 6.261 1.00 0.00 H new ATOM 0 HA GLN A 77 9.447 6.655 8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.606 7.414 7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.659 5.664 7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.296 5.571 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.356 7.322 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.224 4.356 5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.818 5.107 5.187 1.00 0.00 H new ATOM 924 N ASP A 78 8.292 7.139 5.274 1.00 0.00 N ATOM 925 CA ASP A 78 7.539 8.017 4.372 1.00 0.00 C ATOM 926 C ASP A 78 6.087 8.115 4.848 1.00 0.00 C ATOM 927 O ASP A 78 5.555 7.183 5.468 1.00 0.00 O ATOM 928 CB ASP A 78 7.575 7.468 2.916 1.00 0.00 C ATOM 929 CG ASP A 78 8.991 7.347 2.324 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.791 6.539 2.826 1.00 0.00 O ATOM 931 OD2 ASP A 78 9.300 8.024 1.331 1.00 0.00 O ATOM 0 H ASP A 78 8.221 6.153 5.024 1.00 0.00 H new ATOM 0 HA ASP A 78 7.998 9.006 4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.100 6.487 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.981 8.122 2.278 1.00 0.00 H new ATOM 936 N THR A 79 5.471 9.267 4.581 1.00 0.00 N ATOM 937 CA THR A 79 4.050 9.499 4.769 1.00 0.00 C ATOM 938 C THR A 79 3.480 10.026 3.452 1.00 0.00 C ATOM 939 O THR A 79 4.157 10.790 2.747 1.00 0.00 O ATOM 940 CB THR A 79 3.818 10.539 5.907 1.00 0.00 C ATOM 941 OG1 THR A 79 4.416 10.074 7.120 1.00 0.00 O ATOM 942 CG2 THR A 79 2.334 10.827 6.152 1.00 0.00 C ATOM 0 H THR A 79 5.965 10.082 4.219 1.00 0.00 H new ATOM 0 HA THR A 79 3.553 8.572 5.053 1.00 0.00 H new ATOM 0 HB THR A 79 4.284 11.470 5.585 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.268 10.732 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.233 11.558 6.955 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.885 11.224 5.241 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.826 9.905 6.435 1.00 0.00 H new ATOM 950 N LEU A 80 2.246 9.611 3.137 1.00 0.00 N ATOM 951 CA LEU A 80 1.536 10.019 1.922 1.00 0.00 C ATOM 952 C LEU A 80 1.448 11.569 1.811 1.00 0.00 C ATOM 953 O LEU A 80 1.860 12.138 0.803 1.00 0.00 O ATOM 954 CB LEU A 80 0.134 9.324 1.881 1.00 0.00 C ATOM 955 CG LEU A 80 -0.778 9.465 3.171 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.787 10.641 3.079 1.00 0.00 C ATOM 957 CD2 LEU A 80 -1.495 8.140 3.505 1.00 0.00 C ATOM 0 H LEU A 80 1.708 8.976 3.727 1.00 0.00 H new ATOM 0 HA LEU A 80 2.096 9.692 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.418 9.725 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.288 8.262 1.689 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.102 9.703 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.381 10.683 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.244 11.578 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.446 10.489 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.111 8.274 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.127 7.847 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.754 7.362 3.690 1.00 0.00 H new ATOM 969 N SER A 81 1.009 12.222 2.905 1.00 0.00 N ATOM 970 CA SER A 81 0.758 13.683 2.958 1.00 0.00 C ATOM 971 C SER A 81 2.047 14.494 2.737 1.00 0.00 C ATOM 972 O SER A 81 2.052 15.482 1.995 1.00 0.00 O ATOM 973 CB SER A 81 0.137 14.031 4.324 1.00 0.00 C ATOM 974 OG SER A 81 0.994 13.642 5.386 1.00 0.00 O ATOM 0 H SER A 81 0.816 11.749 3.788 1.00 0.00 H new ATOM 0 HA SER A 81 0.072 13.947 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.052 15.103 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.826 13.531 4.428 1.00 0.00 H new ATOM 0 HG SER A 81 0.478 13.580 6.217 1.00 0.00 H new ATOM 980 N GLN A 82 3.141 14.030 3.365 1.00 0.00 N ATOM 981 CA GLN A 82 4.465 14.683 3.296 1.00 0.00 C ATOM 982 C GLN A 82 5.064 14.578 1.879 1.00 0.00 C ATOM 983 O GLN A 82 5.876 15.413 1.475 1.00 0.00 O ATOM 984 CB GLN A 82 5.428 14.042 4.336 1.00 0.00 C ATOM 985 CG GLN A 82 4.917 14.041 5.793 1.00 0.00 C ATOM 986 CD GLN A 82 4.524 15.429 6.311 1.00 0.00 C ATOM 987 OE1 GLN A 82 5.358 16.166 6.839 1.00 0.00 O ATOM 988 NE2 GLN A 82 3.247 15.789 6.192 1.00 0.00 N ATOM 0 H GLN A 82 3.134 13.187 3.939 1.00 0.00 H new ATOM 0 HA GLN A 82 4.337 15.740 3.530 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.627 13.013 4.037 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.379 14.573 4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.054 13.379 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.691 13.628 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.578 15.158 5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.938 16.696 6.543 1.00 0.00 H new ATOM 997 N HIS A 83 4.638 13.546 1.128 1.00 0.00 N ATOM 998 CA HIS A 83 5.122 13.275 -0.241 1.00 0.00 C ATOM 999 C HIS A 83 4.151 13.809 -1.306 1.00 0.00 C ATOM 1000 O HIS A 83 4.270 13.464 -2.476 1.00 0.00 O ATOM 1001 CB HIS A 83 5.391 11.756 -0.392 1.00 0.00 C ATOM 1002 CG HIS A 83 6.567 11.309 0.436 1.00 0.00 C ATOM 1003 ND1 HIS A 83 6.651 11.543 1.794 1.00 0.00 N ATOM 1004 CD2 HIS A 83 7.750 10.763 0.086 1.00 0.00 C ATOM 1005 CE1 HIS A 83 7.828 11.165 2.233 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.512 10.691 1.220 1.00 0.00 N ATOM 0 H HIS A 83 3.945 12.872 1.454 1.00 0.00 H new ATOM 0 HA HIS A 83 6.058 13.810 -0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.503 11.199 -0.093 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.576 11.522 -1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.041 10.443 -0.904 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.174 11.233 3.254 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.463 10.326 1.270 1.00 0.00 H new ATOM 1015 N GLY A 84 3.209 14.671 -0.876 1.00 0.00 N ATOM 1016 CA GLY A 84 2.330 15.414 -1.787 1.00 0.00 C ATOM 1017 C GLY A 84 1.119 14.622 -2.256 1.00 0.00 C ATOM 1018 O GLY A 84 0.470 15.005 -3.231 1.00 0.00 O ATOM 0 H GLY A 84 3.040 14.868 0.110 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.988 16.321 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.906 15.728 -2.657 1.00 0.00 H new ATOM 1022 N ILE A 85 0.818 13.516 -1.559 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.387 12.704 -1.798 1.00 0.00 C ATOM 1024 C ILE A 85 -1.440 13.134 -0.776 1.00 0.00 C ATOM 1025 O ILE A 85 -1.268 12.883 0.424 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.117 11.161 -1.609 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.230 10.731 -2.270 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.306 10.331 -2.156 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.736 9.365 -1.844 1.00 0.00 C ATOM 0 H ILE A 85 1.407 13.157 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.712 12.861 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.027 10.962 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.106 10.736 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.990 11.476 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.103 9.269 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.215 10.600 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.438 10.540 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.676 9.150 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.897 9.357 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.999 8.606 -2.107 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.515 13.785 -1.231 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.528 14.334 -0.320 1.00 0.00 C ATOM 1043 C HIS A 86 -4.907 14.360 -0.982 1.00 0.00 C ATOM 1044 O HIS A 86 -5.065 14.972 -2.041 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.103 15.748 0.178 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.897 16.794 -0.899 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -3.729 17.878 -1.066 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -1.931 16.931 -1.838 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -3.284 18.627 -2.049 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -2.193 18.077 -2.539 1.00 0.00 N ATOM 0 H HIS A 86 -2.707 13.945 -2.220 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.600 13.681 0.550 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.862 16.112 0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.177 15.650 0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.103 16.258 -2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.738 19.543 -2.398 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.636 18.443 -3.311 1.00 0.00 H new ATOM 1059 N ASP A 87 -5.844 13.594 -0.375 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.308 13.702 -0.562 1.00 0.00 C ATOM 1061 C ASP A 87 -7.746 13.816 -2.047 1.00 0.00 C ATOM 1062 O ASP A 87 -7.739 14.907 -2.626 1.00 0.00 O ATOM 1063 CB ASP A 87 -7.844 14.883 0.293 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.373 15.002 0.278 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -10.046 14.090 0.804 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.912 15.988 -0.281 1.00 0.00 O ATOM 0 H ASP A 87 -5.590 12.857 0.283 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.753 12.768 -0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.507 14.759 1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.411 15.813 -0.074 1.00 0.00 H new ATOM 1071 N GLY A 88 -8.112 12.675 -2.647 1.00 0.00 N ATOM 1072 CA GLY A 88 -8.500 12.594 -4.059 1.00 0.00 C ATOM 1073 C GLY A 88 -7.395 12.021 -4.935 1.00 0.00 C ATOM 1074 O GLY A 88 -7.674 11.439 -5.994 1.00 0.00 O ATOM 0 H GLY A 88 -8.147 11.778 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.392 11.974 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.764 13.589 -4.417 1.00 0.00 H new ATOM 1078 N LEU A 89 -6.130 12.177 -4.486 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.945 11.699 -5.230 1.00 0.00 C ATOM 1080 C LEU A 89 -4.740 10.191 -5.038 1.00 0.00 C ATOM 1081 O LEU A 89 -5.262 9.592 -4.086 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.669 12.476 -4.815 1.00 0.00 C ATOM 1083 CG LEU A 89 -3.670 14.011 -5.119 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -2.281 14.636 -4.856 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -4.157 14.310 -6.564 1.00 0.00 C ATOM 0 H LEU A 89 -5.903 12.635 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.128 11.886 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.516 12.338 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.814 12.027 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.379 14.476 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.314 15.703 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.008 14.490 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.539 14.157 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.144 15.386 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.497 13.819 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.172 13.935 -6.691 1.00 0.00 H new ATOM 1097 N THR A 90 -3.947 9.602 -5.950 1.00 0.00 N ATOM 1098 CA THR A 90 -3.740 8.156 -6.042 1.00 0.00 C ATOM 1099 C THR A 90 -2.245 7.798 -5.899 1.00 0.00 C ATOM 1100 O THR A 90 -1.378 8.455 -6.490 1.00 0.00 O ATOM 1101 CB THR A 90 -4.306 7.628 -7.405 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.683 8.038 -7.548 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.236 6.095 -7.530 1.00 0.00 C ATOM 0 H THR A 90 -3.427 10.129 -6.651 1.00 0.00 H new ATOM 0 HA THR A 90 -4.274 7.675 -5.223 1.00 0.00 H new ATOM 0 HB THR A 90 -3.683 8.055 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.035 7.709 -8.401 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.642 5.790 -8.494 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.198 5.771 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.818 5.638 -6.730 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.965 6.766 -5.081 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.631 6.145 -4.967 1.00 0.00 C ATOM 1113 C VAL A 91 -0.613 4.890 -5.866 1.00 0.00 C ATOM 1114 O VAL A 91 -1.666 4.391 -6.246 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.296 5.715 -3.470 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.232 5.601 -3.235 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.945 6.656 -2.429 1.00 0.00 C ATOM 0 H VAL A 91 -2.664 6.336 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 91 0.119 6.873 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.733 4.726 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.420 5.306 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.649 4.852 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.703 6.565 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.687 6.321 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.578 7.672 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.028 6.640 -2.550 1.00 0.00 H new ATOM 1127 N HIS A 92 0.574 4.396 -6.217 1.00 0.00 N ATOM 1128 CA HIS A 92 0.721 3.066 -6.855 1.00 0.00 C ATOM 1129 C HIS A 92 1.074 2.034 -5.778 1.00 0.00 C ATOM 1130 O HIS A 92 1.619 2.393 -4.738 1.00 0.00 O ATOM 1131 CB HIS A 92 1.798 3.091 -7.961 1.00 0.00 C ATOM 1132 CG HIS A 92 1.432 3.964 -9.132 1.00 0.00 C ATOM 1133 ND1 HIS A 92 0.877 3.474 -10.293 1.00 0.00 N ATOM 1134 CD2 HIS A 92 1.548 5.301 -9.315 1.00 0.00 C ATOM 1135 CE1 HIS A 92 0.672 4.466 -11.133 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.068 5.583 -10.564 1.00 0.00 N ATOM 0 H HIS A 92 1.455 4.889 -6.075 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.222 2.793 -7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.738 3.442 -7.535 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.969 2.074 -8.315 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.946 6.012 -8.606 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.250 4.377 -12.123 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.024 6.511 -10.986 1.00 0.00 H new ATOM 1145 N LEU A 93 0.730 0.766 -6.022 1.00 0.00 N ATOM 1146 CA LEU A 93 1.007 -0.340 -5.087 1.00 0.00 C ATOM 1147 C LEU A 93 1.409 -1.596 -5.861 1.00 0.00 C ATOM 1148 O LEU A 93 0.890 -1.865 -6.949 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.237 -0.638 -4.203 1.00 0.00 C ATOM 1150 CG LEU A 93 -0.077 -1.755 -3.110 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.030 -1.417 -2.100 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.399 -2.037 -2.387 1.00 0.00 C ATOM 0 H LEU A 93 0.251 0.472 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 93 1.830 -0.041 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.529 0.286 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.061 -0.920 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 93 0.219 -2.662 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.106 -2.216 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.981 -1.314 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.790 -0.481 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.246 -2.815 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.748 -1.127 -1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.145 -2.369 -3.109 1.00 0.00 H new ATOM 1164 N VAL A 94 2.339 -2.353 -5.274 1.00 0.00 N ATOM 1165 CA VAL A 94 2.805 -3.652 -5.788 1.00 0.00 C ATOM 1166 C VAL A 94 2.787 -4.633 -4.613 1.00 0.00 C ATOM 1167 O VAL A 94 3.537 -4.461 -3.644 1.00 0.00 O ATOM 1168 CB VAL A 94 4.261 -3.562 -6.409 1.00 0.00 C ATOM 1169 CG1 VAL A 94 4.797 -4.951 -6.842 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.313 -2.570 -7.600 1.00 0.00 C ATOM 0 H VAL A 94 2.802 -2.077 -4.408 1.00 0.00 H new ATOM 0 HA VAL A 94 2.149 -3.983 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 94 4.911 -3.185 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.797 -4.841 -7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.838 -5.611 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.134 -5.379 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.326 -2.535 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.627 -2.901 -8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.023 -1.576 -7.259 1.00 0.00 H new ATOM 1180 N ILE A 95 1.876 -5.620 -4.673 1.00 0.00 N ATOM 1181 CA ILE A 95 1.712 -6.621 -3.609 1.00 0.00 C ATOM 1182 C ILE A 95 2.341 -7.947 -4.069 1.00 0.00 C ATOM 1183 O ILE A 95 2.122 -8.365 -5.214 1.00 0.00 O ATOM 1184 CB ILE A 95 0.193 -6.871 -3.250 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.629 -5.540 -3.212 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.087 -7.604 -1.894 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -2.119 -5.713 -2.918 1.00 0.00 C ATOM 0 H ILE A 95 1.236 -5.744 -5.458 1.00 0.00 H new ATOM 0 HA ILE A 95 2.207 -6.240 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.235 -7.493 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.198 -4.885 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.519 -5.034 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.962 -7.773 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.604 -8.562 -1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.545 -6.995 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.604 -4.737 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.571 -6.339 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.245 -6.187 -1.945 1.00 0.00 H new ATOM 1199 N LYS A 96 3.105 -8.606 -3.177 1.00 0.00 N ATOM 1200 CA LYS A 96 3.724 -9.923 -3.452 1.00 0.00 C ATOM 1201 C LYS A 96 2.705 -11.075 -3.222 1.00 0.00 C ATOM 1202 O LYS A 96 2.964 -12.002 -2.445 1.00 0.00 O ATOM 1203 CB LYS A 96 5.007 -10.120 -2.575 1.00 0.00 C ATOM 1204 CG LYS A 96 6.118 -9.056 -2.775 1.00 0.00 C ATOM 1205 CD LYS A 96 7.424 -9.371 -1.987 1.00 0.00 C ATOM 1206 CE LYS A 96 7.223 -9.436 -0.459 1.00 0.00 C ATOM 1207 NZ LYS A 96 8.498 -9.690 0.266 1.00 0.00 N ATOM 0 H LYS A 96 3.312 -8.244 -2.246 1.00 0.00 H new ATOM 0 HA LYS A 96 4.022 -9.950 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.713 -10.121 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.426 -11.103 -2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.352 -8.981 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.739 -8.083 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.826 -10.323 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.169 -8.608 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.790 -8.498 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.509 -10.224 -0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.309 -9.759 1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.917 -10.581 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.160 -8.908 0.089 1.00 0.00 H new