USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 667 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 61 HIS : no HE2:sc= 0.0978 K(o=-1.6,f=-4.5) USER MOD Set 1.2: A 64 GLN : amide:sc= -1.72! X(o=-1.6!,f=-1.9) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0388 (180deg=-0.107) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -119:sc= 0.737 (180deg=-0.0394) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0.983 (180deg=0.729) USER MOD Single : A 32 THR OG1 : rot -46:sc= 1.54 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0.38 (180deg=0.38) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00128) USER MOD Single : A 44 ASN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.599 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 49 GLN : amide:sc= -0.0426 K(o=-0.043,f=-2.8) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= -0.638 (180deg=-1.97!) USER MOD Single : A 55 SER OG : rot -71:sc= 1.1 USER MOD Single : A 56 LYS NZ :NH3+ 138:sc= 0.97 (180deg=0.113) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0.00889 (180deg=0.00768) USER MOD Single : A 60 SER OG : rot 110:sc= -0.512 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0339) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0703 (180deg=-0.372) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 81 SER OG : rot -150:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 83 HIS : no HE2:sc= 0.165 K(o=0.17,f=-1.9!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= -0.0188 (180deg=-0.179) USER MOD Single : A 97 THR OG1 : rot 170:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 99 ASN : amide:sc= -0.0036 K(o=-0.0036,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 23 -11.794 19.202 9.269 1.00 0.00 N ATOM 2 CA PRO A 23 -11.859 19.069 7.793 1.00 0.00 C ATOM 3 C PRO A 23 -12.403 17.683 7.402 1.00 0.00 C ATOM 4 O PRO A 23 -12.646 16.833 8.273 1.00 0.00 O ATOM 5 CB PRO A 23 -10.435 19.307 7.224 1.00 0.00 C ATOM 6 CG PRO A 23 -9.602 19.560 8.454 1.00 0.00 C ATOM 7 CD PRO A 23 -10.382 18.987 9.631 1.00 0.00 C ATOM 0 HA PRO A 23 -12.542 19.807 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.076 18.442 6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.412 20.157 6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.626 19.083 8.366 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.424 20.627 8.589 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.165 17.929 9.775 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.128 19.494 10.562 1.00 0.00 H new ATOM 15 N LYS A 24 -12.592 17.477 6.085 1.00 0.00 N ATOM 16 CA LYS A 24 -12.895 16.152 5.514 1.00 0.00 C ATOM 17 C LYS A 24 -11.608 15.297 5.505 1.00 0.00 C ATOM 18 O LYS A 24 -10.494 15.834 5.429 1.00 0.00 O ATOM 19 CB LYS A 24 -13.459 16.272 4.064 1.00 0.00 C ATOM 20 CG LYS A 24 -13.861 14.910 3.415 1.00 0.00 C ATOM 21 CD LYS A 24 -14.022 14.981 1.881 1.00 0.00 C ATOM 22 CE LYS A 24 -12.726 15.426 1.181 1.00 0.00 C ATOM 23 NZ LYS A 24 -12.894 15.515 -0.287 1.00 0.00 N ATOM 0 H LYS A 24 -12.539 18.221 5.390 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.657 15.676 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.331 16.925 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.711 16.754 3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.105 14.164 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.798 14.570 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.320 14.003 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.824 15.676 1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.418 16.396 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.928 14.721 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.120 16.079 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.877 14.559 -0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.804 15.969 -0.505 1.00 0.00 H new ATOM 37 N ILE A 25 -11.778 13.978 5.599 1.00 0.00 N ATOM 38 CA ILE A 25 -10.670 13.015 5.595 1.00 0.00 C ATOM 39 C ILE A 25 -10.265 12.698 4.131 1.00 0.00 C ATOM 40 O ILE A 25 -11.105 12.778 3.217 1.00 0.00 O ATOM 41 CB ILE A 25 -11.107 11.729 6.396 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.877 10.979 6.971 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.991 10.783 5.551 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.206 9.880 7.957 1.00 0.00 C ATOM 0 H ILE A 25 -12.696 13.541 5.681 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.791 13.430 6.088 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.716 12.071 7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.313 10.548 6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.224 11.702 7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.266 9.913 6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.893 11.309 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.438 10.459 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.284 9.414 8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.741 10.302 8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.831 9.130 7.471 1.00 0.00 H new ATOM 56 N MET A 26 -8.985 12.358 3.901 1.00 0.00 N ATOM 57 CA MET A 26 -8.477 12.129 2.535 1.00 0.00 C ATOM 58 C MET A 26 -8.812 10.716 2.068 1.00 0.00 C ATOM 59 O MET A 26 -8.363 9.722 2.665 1.00 0.00 O ATOM 60 CB MET A 26 -6.954 12.384 2.438 1.00 0.00 C ATOM 61 CG MET A 26 -6.582 13.856 2.570 1.00 0.00 C ATOM 62 SD MET A 26 -7.439 14.893 1.368 1.00 0.00 S ATOM 63 CE MET A 26 -6.941 16.540 1.853 1.00 0.00 C ATOM 0 H MET A 26 -8.288 12.236 4.635 1.00 0.00 H new ATOM 0 HA MET A 26 -8.973 12.844 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.447 11.816 3.218 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.589 12.008 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.820 14.199 3.577 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.506 13.969 2.441 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.403 17.270 1.189 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.259 16.729 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.856 16.626 1.788 1.00 0.00 H new ATOM 73 N LYS A 27 -9.612 10.644 0.997 1.00 0.00 N ATOM 74 CA LYS A 27 -10.079 9.384 0.422 1.00 0.00 C ATOM 75 C LYS A 27 -9.044 8.872 -0.590 1.00 0.00 C ATOM 76 O LYS A 27 -9.082 9.223 -1.769 1.00 0.00 O ATOM 77 CB LYS A 27 -11.471 9.586 -0.233 1.00 0.00 C ATOM 78 CG LYS A 27 -12.492 10.369 0.642 1.00 0.00 C ATOM 79 CD LYS A 27 -12.702 9.773 2.056 1.00 0.00 C ATOM 80 CE LYS A 27 -13.211 8.318 2.036 1.00 0.00 C ATOM 81 NZ LYS A 27 -14.506 8.186 1.324 1.00 0.00 N ATOM 0 H LYS A 27 -9.954 11.468 0.503 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.189 8.634 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.340 10.115 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.891 8.609 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.153 11.400 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.451 10.397 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.760 9.813 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.414 10.392 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.468 7.682 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.323 7.960 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.227 7.824 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.801 9.116 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.399 7.525 0.528 1.00 0.00 H new ATOM 95 N VAL A 28 -8.088 8.072 -0.106 1.00 0.00 N ATOM 96 CA VAL A 28 -6.935 7.644 -0.903 1.00 0.00 C ATOM 97 C VAL A 28 -7.203 6.295 -1.575 1.00 0.00 C ATOM 98 O VAL A 28 -7.353 5.272 -0.904 1.00 0.00 O ATOM 99 CB VAL A 28 -5.647 7.555 -0.020 1.00 0.00 C ATOM 100 CG1 VAL A 28 -4.415 7.170 -0.868 1.00 0.00 C ATOM 101 CG2 VAL A 28 -5.432 8.882 0.741 1.00 0.00 C ATOM 0 H VAL A 28 -8.092 7.705 0.846 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.775 8.393 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.782 6.764 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.535 7.116 -0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.584 6.200 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.256 7.922 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.533 8.809 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.320 9.697 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.292 9.077 1.382 1.00 0.00 H new ATOM 111 N THR A 29 -7.231 6.311 -2.904 1.00 0.00 N ATOM 112 CA THR A 29 -7.428 5.124 -3.719 1.00 0.00 C ATOM 113 C THR A 29 -6.074 4.422 -3.919 1.00 0.00 C ATOM 114 O THR A 29 -5.045 5.080 -4.042 1.00 0.00 O ATOM 115 CB THR A 29 -8.058 5.525 -5.084 1.00 0.00 C ATOM 116 OG1 THR A 29 -9.207 6.350 -4.846 1.00 0.00 O ATOM 117 CG2 THR A 29 -8.485 4.300 -5.910 1.00 0.00 C ATOM 0 H THR A 29 -7.115 7.164 -3.451 1.00 0.00 H new ATOM 0 HA THR A 29 -8.110 4.434 -3.221 1.00 0.00 H new ATOM 0 HB THR A 29 -7.300 6.064 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.608 6.608 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.919 4.631 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.615 3.675 -6.110 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.224 3.725 -5.352 1.00 0.00 H new ATOM 125 N VAL A 30 -6.074 3.088 -3.851 1.00 0.00 N ATOM 126 CA VAL A 30 -4.867 2.263 -4.018 1.00 0.00 C ATOM 127 C VAL A 30 -5.095 1.250 -5.143 1.00 0.00 C ATOM 128 O VAL A 30 -6.056 0.476 -5.092 1.00 0.00 O ATOM 129 CB VAL A 30 -4.507 1.528 -2.671 1.00 0.00 C ATOM 130 CG1 VAL A 30 -3.369 0.503 -2.848 1.00 0.00 C ATOM 131 CG2 VAL A 30 -4.135 2.552 -1.580 1.00 0.00 C ATOM 0 H VAL A 30 -6.918 2.542 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.027 2.906 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.395 0.977 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.159 0.024 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.669 -0.253 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.473 1.012 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.889 2.027 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.274 3.135 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.979 3.219 -1.404 1.00 0.00 H new ATOM 141 N LYS A 31 -4.191 1.256 -6.131 1.00 0.00 N ATOM 142 CA LYS A 31 -4.278 0.416 -7.333 1.00 0.00 C ATOM 143 C LYS A 31 -3.411 -0.830 -7.134 1.00 0.00 C ATOM 144 O LYS A 31 -2.245 -0.731 -6.754 1.00 0.00 O ATOM 145 CB LYS A 31 -3.808 1.242 -8.574 1.00 0.00 C ATOM 146 CG LYS A 31 -3.944 0.578 -9.977 1.00 0.00 C ATOM 147 CD LYS A 31 -2.780 -0.380 -10.349 1.00 0.00 C ATOM 148 CE LYS A 31 -2.943 -0.999 -11.743 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.167 -1.835 -11.866 1.00 0.00 N ATOM 0 H LYS A 31 -3.365 1.854 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.306 0.098 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.370 2.176 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.760 1.503 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.881 0.023 -10.013 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.009 1.362 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.838 0.167 -10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.720 -1.177 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.977 -0.203 -12.487 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.068 -1.609 -11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.079 -2.460 -12.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.282 -2.410 -11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.997 -1.220 -11.984 1.00 0.00 H new ATOM 163 N THR A 32 -4.006 -1.994 -7.376 1.00 0.00 N ATOM 164 CA THR A 32 -3.295 -3.274 -7.454 1.00 0.00 C ATOM 165 C THR A 32 -3.582 -3.884 -8.835 1.00 0.00 C ATOM 166 O THR A 32 -4.537 -3.458 -9.505 1.00 0.00 O ATOM 167 CB THR A 32 -3.752 -4.249 -6.311 1.00 0.00 C ATOM 168 OG1 THR A 32 -5.131 -4.609 -6.466 1.00 0.00 O ATOM 169 CG2 THR A 32 -3.561 -3.621 -4.931 1.00 0.00 C ATOM 0 H THR A 32 -5.011 -2.080 -7.526 1.00 0.00 H new ATOM 0 HA THR A 32 -2.225 -3.113 -7.323 1.00 0.00 H new ATOM 0 HB THR A 32 -3.129 -5.140 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.660 -3.805 -6.652 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.887 -4.323 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.508 -3.384 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.152 -2.708 -4.862 1.00 0.00 H new ATOM 177 N PRO A 33 -2.763 -4.875 -9.310 1.00 0.00 N ATOM 178 CA PRO A 33 -3.048 -5.609 -10.574 1.00 0.00 C ATOM 179 C PRO A 33 -4.410 -6.347 -10.561 1.00 0.00 C ATOM 180 O PRO A 33 -4.885 -6.782 -11.609 1.00 0.00 O ATOM 181 CB PRO A 33 -1.845 -6.585 -10.690 1.00 0.00 C ATOM 182 CG PRO A 33 -1.336 -6.713 -9.287 1.00 0.00 C ATOM 183 CD PRO A 33 -1.486 -5.338 -8.696 1.00 0.00 C ATOM 0 HA PRO A 33 -3.143 -4.940 -11.429 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.153 -7.551 -11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.078 -6.193 -11.357 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.909 -7.450 -8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.296 -7.039 -9.272 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.543 -5.365 -7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.650 -4.689 -8.955 1.00 0.00 H new ATOM 191 N LYS A 34 -5.013 -6.476 -9.365 1.00 0.00 N ATOM 192 CA LYS A 34 -6.364 -7.027 -9.184 1.00 0.00 C ATOM 193 C LYS A 34 -7.426 -5.930 -9.374 1.00 0.00 C ATOM 194 O LYS A 34 -8.221 -5.982 -10.316 1.00 0.00 O ATOM 195 CB LYS A 34 -6.508 -7.690 -7.774 1.00 0.00 C ATOM 196 CG LYS A 34 -5.939 -9.118 -7.658 1.00 0.00 C ATOM 197 CD LYS A 34 -4.406 -9.206 -7.813 1.00 0.00 C ATOM 198 CE LYS A 34 -3.911 -10.665 -7.756 1.00 0.00 C ATOM 199 NZ LYS A 34 -2.443 -10.785 -7.959 1.00 0.00 N ATOM 0 H LYS A 34 -4.570 -6.197 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.522 -7.795 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.009 -7.057 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.565 -7.715 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.219 -9.530 -6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.406 -9.745 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.110 -8.758 -8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.926 -8.628 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.176 -11.096 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.427 -11.249 -8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.167 -11.786 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.189 -10.400 -8.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.945 -10.252 -7.217 1.00 0.00 H new ATOM 213 N GLU A 35 -7.412 -4.930 -8.478 1.00 0.00 N ATOM 214 CA GLU A 35 -8.474 -3.901 -8.391 1.00 0.00 C ATOM 215 C GLU A 35 -7.974 -2.659 -7.640 1.00 0.00 C ATOM 216 O GLU A 35 -6.830 -2.605 -7.208 1.00 0.00 O ATOM 217 CB GLU A 35 -9.719 -4.488 -7.671 1.00 0.00 C ATOM 218 CG GLU A 35 -9.444 -4.982 -6.232 1.00 0.00 C ATOM 219 CD GLU A 35 -10.717 -5.485 -5.538 1.00 0.00 C ATOM 220 OE1 GLU A 35 -11.523 -4.656 -5.081 1.00 0.00 O ATOM 221 OE2 GLU A 35 -10.934 -6.709 -5.462 1.00 0.00 O ATOM 0 H GLU A 35 -6.667 -4.808 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.747 -3.603 -9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.499 -3.727 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.108 -5.318 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.706 -5.784 -6.260 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.010 -4.170 -5.648 1.00 0.00 H new ATOM 228 N LYS A 36 -8.852 -1.656 -7.484 1.00 0.00 N ATOM 229 CA LYS A 36 -8.552 -0.445 -6.699 1.00 0.00 C ATOM 230 C LYS A 36 -9.560 -0.296 -5.544 1.00 0.00 C ATOM 231 O LYS A 36 -10.768 -0.429 -5.747 1.00 0.00 O ATOM 232 CB LYS A 36 -8.533 0.821 -7.601 1.00 0.00 C ATOM 233 CG LYS A 36 -9.854 1.120 -8.355 1.00 0.00 C ATOM 234 CD LYS A 36 -9.816 2.464 -9.127 1.00 0.00 C ATOM 235 CE LYS A 36 -8.797 2.485 -10.278 1.00 0.00 C ATOM 236 NZ LYS A 36 -9.165 1.548 -11.381 1.00 0.00 N ATOM 0 H LYS A 36 -9.785 -1.660 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.555 -0.551 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.284 1.683 -6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.733 0.713 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.058 0.310 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.678 1.140 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.808 2.671 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.580 3.267 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.722 3.497 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.812 2.220 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.457 1.611 -12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.195 0.575 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.100 1.805 -11.757 1.00 0.00 H new ATOM 250 N GLU A 37 -9.043 -0.037 -4.328 1.00 0.00 N ATOM 251 CA GLU A 37 -9.864 0.167 -3.102 1.00 0.00 C ATOM 252 C GLU A 37 -9.545 1.530 -2.474 1.00 0.00 C ATOM 253 O GLU A 37 -8.396 1.981 -2.505 1.00 0.00 O ATOM 254 CB GLU A 37 -9.622 -0.971 -2.068 1.00 0.00 C ATOM 255 CG GLU A 37 -10.140 -2.363 -2.506 1.00 0.00 C ATOM 256 CD GLU A 37 -11.678 -2.495 -2.490 1.00 0.00 C ATOM 257 OE1 GLU A 37 -12.345 -2.040 -3.437 1.00 0.00 O ATOM 258 OE2 GLU A 37 -12.226 -3.075 -1.532 1.00 0.00 O ATOM 0 H GLU A 37 -8.040 0.039 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.915 0.144 -3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.553 -1.042 -1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.103 -0.698 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.778 -2.574 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.714 -3.121 -1.849 1.00 0.00 H new ATOM 265 N GLU A 38 -10.573 2.162 -1.883 1.00 0.00 N ATOM 266 CA GLU A 38 -10.485 3.517 -1.323 1.00 0.00 C ATOM 267 C GLU A 38 -10.353 3.427 0.206 1.00 0.00 C ATOM 268 O GLU A 38 -11.062 2.650 0.859 1.00 0.00 O ATOM 269 CB GLU A 38 -11.739 4.335 -1.720 1.00 0.00 C ATOM 270 CG GLU A 38 -11.787 5.773 -1.157 1.00 0.00 C ATOM 271 CD GLU A 38 -13.150 6.452 -1.367 1.00 0.00 C ATOM 272 OE1 GLU A 38 -14.113 6.101 -0.647 1.00 0.00 O ATOM 273 OE2 GLU A 38 -13.273 7.326 -2.245 1.00 0.00 O ATOM 0 H GLU A 38 -11.496 1.741 -1.781 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.607 4.024 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.792 4.385 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.626 3.799 -1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.559 5.748 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.011 6.371 -1.635 1.00 0.00 H new ATOM 280 N PHE A 39 -9.438 4.228 0.753 1.00 0.00 N ATOM 281 CA PHE A 39 -9.149 4.301 2.194 1.00 0.00 C ATOM 282 C PHE A 39 -9.445 5.718 2.689 1.00 0.00 C ATOM 283 O PHE A 39 -9.576 6.638 1.886 1.00 0.00 O ATOM 284 CB PHE A 39 -7.672 3.923 2.476 1.00 0.00 C ATOM 285 CG PHE A 39 -7.345 2.492 2.061 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.895 2.209 0.774 1.00 0.00 C ATOM 287 CD2 PHE A 39 -7.527 1.430 2.946 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.637 0.910 0.384 1.00 0.00 C ATOM 289 CE2 PHE A 39 -7.263 0.136 2.557 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.817 -0.126 1.274 1.00 0.00 C ATOM 0 H PHE A 39 -8.862 4.860 0.198 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.781 3.590 2.726 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.016 4.611 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.466 4.046 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.746 3.016 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.879 1.625 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.294 0.706 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.404 -0.676 3.255 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.610 -1.142 0.970 1.00 0.00 H new ATOM 300 N ALA A 40 -9.556 5.885 4.005 1.00 0.00 N ATOM 301 CA ALA A 40 -9.806 7.189 4.629 1.00 0.00 C ATOM 302 C ALA A 40 -8.743 7.439 5.698 1.00 0.00 C ATOM 303 O ALA A 40 -8.736 6.771 6.740 1.00 0.00 O ATOM 304 CB ALA A 40 -11.220 7.213 5.215 1.00 0.00 C ATOM 0 H ALA A 40 -9.475 5.119 4.674 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.741 7.987 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.405 8.182 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.946 7.046 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.317 6.428 5.965 1.00 0.00 H new ATOM 310 N VAL A 41 -7.829 8.392 5.427 1.00 0.00 N ATOM 311 CA VAL A 41 -6.676 8.693 6.304 1.00 0.00 C ATOM 312 C VAL A 41 -6.588 10.220 6.558 1.00 0.00 C ATOM 313 O VAL A 41 -6.808 11.012 5.630 1.00 0.00 O ATOM 314 CB VAL A 41 -5.317 8.149 5.706 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.341 6.608 5.584 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.975 8.794 4.344 1.00 0.00 C ATOM 0 H VAL A 41 -7.868 8.977 4.592 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.837 8.179 7.252 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.531 8.432 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.394 6.261 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.489 6.167 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.156 6.308 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.033 8.388 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.769 8.577 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.882 9.873 4.466 1.00 0.00 H new ATOM 326 N PRO A 42 -6.289 10.668 7.825 1.00 0.00 N ATOM 327 CA PRO A 42 -6.341 12.117 8.221 1.00 0.00 C ATOM 328 C PRO A 42 -5.082 12.920 7.825 1.00 0.00 C ATOM 329 O PRO A 42 -4.696 13.864 8.532 1.00 0.00 O ATOM 330 CB PRO A 42 -6.481 12.004 9.758 1.00 0.00 C ATOM 331 CG PRO A 42 -5.666 10.795 10.113 1.00 0.00 C ATOM 332 CD PRO A 42 -5.902 9.804 8.990 1.00 0.00 C ATOM 0 HA PRO A 42 -7.142 12.663 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.108 12.897 10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.523 11.884 10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.609 11.046 10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.975 10.381 11.073 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.006 9.221 8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.691 9.095 9.241 1.00 0.00 H new ATOM 340 N GLU A 43 -4.470 12.538 6.678 1.00 0.00 N ATOM 341 CA GLU A 43 -3.156 13.051 6.195 1.00 0.00 C ATOM 342 C GLU A 43 -2.001 12.740 7.182 1.00 0.00 C ATOM 343 O GLU A 43 -0.859 13.146 6.944 1.00 0.00 O ATOM 344 CB GLU A 43 -3.218 14.586 5.898 1.00 0.00 C ATOM 345 CG GLU A 43 -4.257 14.982 4.842 1.00 0.00 C ATOM 346 CD GLU A 43 -4.405 16.500 4.652 1.00 0.00 C ATOM 347 OE1 GLU A 43 -5.129 17.145 5.440 1.00 0.00 O ATOM 348 OE2 GLU A 43 -3.809 17.058 3.714 1.00 0.00 O ATOM 0 H GLU A 43 -4.881 11.850 6.047 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.943 12.524 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.439 15.115 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.235 14.920 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.981 14.532 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.224 14.565 5.124 1.00 0.00 H new ATOM 355 N ASN A 44 -2.293 11.990 8.259 1.00 0.00 N ATOM 356 CA ASN A 44 -1.358 11.785 9.378 1.00 0.00 C ATOM 357 C ASN A 44 -0.891 10.328 9.422 1.00 0.00 C ATOM 358 O ASN A 44 0.159 10.022 10.005 1.00 0.00 O ATOM 359 CB ASN A 44 -2.026 12.208 10.712 1.00 0.00 C ATOM 360 CG ASN A 44 -1.069 12.236 11.918 1.00 0.00 C ATOM 361 OD1 ASN A 44 -1.470 11.945 13.044 1.00 0.00 O ATOM 362 ND2 ASN A 44 0.186 12.632 11.703 1.00 0.00 N ATOM 0 H ASN A 44 -3.185 11.509 8.378 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.478 12.410 9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.464 13.198 10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.845 11.522 10.928 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.840 12.700 12.483 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.492 12.867 10.759 1.00 0.00 H new ATOM 369 N SER A 45 -1.682 9.430 8.798 1.00 0.00 N ATOM 370 CA SER A 45 -1.283 8.039 8.588 1.00 0.00 C ATOM 371 C SER A 45 -0.040 7.994 7.687 1.00 0.00 C ATOM 372 O SER A 45 -0.081 8.466 6.548 1.00 0.00 O ATOM 373 CB SER A 45 -2.438 7.236 7.953 1.00 0.00 C ATOM 374 OG SER A 45 -3.619 7.374 8.721 1.00 0.00 O ATOM 0 H SER A 45 -2.607 9.655 8.431 1.00 0.00 H new ATOM 0 HA SER A 45 -1.044 7.587 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.616 7.586 6.936 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.163 6.184 7.885 1.00 0.00 H new ATOM 0 HG SER A 45 -4.342 6.860 8.304 1.00 0.00 H new ATOM 380 N SER A 46 1.071 7.498 8.233 1.00 0.00 N ATOM 381 CA SER A 46 2.316 7.299 7.474 1.00 0.00 C ATOM 382 C SER A 46 2.178 6.078 6.561 1.00 0.00 C ATOM 383 O SER A 46 1.245 5.295 6.728 1.00 0.00 O ATOM 384 CB SER A 46 3.493 7.118 8.452 1.00 0.00 C ATOM 385 OG SER A 46 3.564 8.216 9.345 1.00 0.00 O ATOM 0 H SER A 46 1.138 7.222 9.213 1.00 0.00 H new ATOM 0 HA SER A 46 2.509 8.174 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.369 6.192 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.427 7.032 7.896 1.00 0.00 H new ATOM 0 HG SER A 46 4.315 8.088 9.962 1.00 0.00 H new ATOM 391 N VAL A 47 3.113 5.913 5.606 1.00 0.00 N ATOM 392 CA VAL A 47 3.166 4.714 4.740 1.00 0.00 C ATOM 393 C VAL A 47 3.313 3.437 5.588 1.00 0.00 C ATOM 394 O VAL A 47 2.694 2.414 5.284 1.00 0.00 O ATOM 395 CB VAL A 47 4.337 4.826 3.704 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.583 3.498 2.946 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.073 5.990 2.715 1.00 0.00 C ATOM 0 H VAL A 47 3.845 6.596 5.412 1.00 0.00 H new ATOM 0 HA VAL A 47 2.228 4.653 4.188 1.00 0.00 H new ATOM 0 HB VAL A 47 5.247 5.040 4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.404 3.628 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.838 2.714 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.680 3.216 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.895 6.055 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.141 5.808 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.997 6.927 3.267 1.00 0.00 H new ATOM 407 N GLN A 48 4.098 3.558 6.684 1.00 0.00 N ATOM 408 CA GLN A 48 4.290 2.493 7.691 1.00 0.00 C ATOM 409 C GLN A 48 2.942 1.962 8.212 1.00 0.00 C ATOM 410 O GLN A 48 2.771 0.764 8.403 1.00 0.00 O ATOM 411 CB GLN A 48 5.109 3.036 8.890 1.00 0.00 C ATOM 412 CG GLN A 48 5.471 1.967 9.954 1.00 0.00 C ATOM 413 CD GLN A 48 6.176 2.538 11.187 1.00 0.00 C ATOM 414 OE1 GLN A 48 6.871 3.552 11.115 1.00 0.00 O ATOM 415 NE2 GLN A 48 6.016 1.880 12.323 1.00 0.00 N ATOM 0 H GLN A 48 4.621 4.408 6.894 1.00 0.00 H new ATOM 0 HA GLN A 48 4.826 1.677 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.029 3.483 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.542 3.833 9.371 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.560 1.459 10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.113 1.214 9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.434 1.043 12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.475 2.210 13.172 1.00 0.00 H new ATOM 424 N GLN A 49 1.996 2.886 8.416 1.00 0.00 N ATOM 425 CA GLN A 49 0.670 2.587 8.979 1.00 0.00 C ATOM 426 C GLN A 49 -0.360 2.312 7.873 1.00 0.00 C ATOM 427 O GLN A 49 -1.348 1.612 8.099 1.00 0.00 O ATOM 428 CB GLN A 49 0.217 3.777 9.865 1.00 0.00 C ATOM 429 CG GLN A 49 1.192 4.106 11.021 1.00 0.00 C ATOM 430 CD GLN A 49 0.888 5.426 11.747 1.00 0.00 C ATOM 431 OE1 GLN A 49 0.367 6.376 11.156 1.00 0.00 O ATOM 432 NE2 GLN A 49 1.250 5.503 13.016 1.00 0.00 N ATOM 0 H GLN A 49 2.129 3.873 8.193 1.00 0.00 H new ATOM 0 HA GLN A 49 0.740 1.684 9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.102 4.661 9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.764 3.553 10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.166 3.292 11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.206 4.148 10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.678 4.698 13.474 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.101 6.367 13.537 1.00 0.00 H new ATOM 441 N PHE A 50 -0.091 2.844 6.667 1.00 0.00 N ATOM 442 CA PHE A 50 -1.052 2.843 5.558 1.00 0.00 C ATOM 443 C PHE A 50 -1.227 1.438 4.969 1.00 0.00 C ATOM 444 O PHE A 50 -2.357 1.012 4.728 1.00 0.00 O ATOM 445 CB PHE A 50 -0.629 3.861 4.468 1.00 0.00 C ATOM 446 CG PHE A 50 -1.676 4.089 3.370 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.951 4.564 3.686 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.394 3.819 2.035 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.901 4.760 2.702 1.00 0.00 C ATOM 450 CE2 PHE A 50 -2.341 4.012 1.058 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.595 4.483 1.390 1.00 0.00 C ATOM 0 H PHE A 50 0.799 3.286 6.438 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.020 3.151 5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.409 4.815 4.946 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.295 3.515 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.198 4.781 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.416 3.452 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.882 5.130 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.103 3.794 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.336 4.634 0.619 1.00 0.00 H new ATOM 461 N LYS A 51 -0.105 0.708 4.751 1.00 0.00 N ATOM 462 CA LYS A 51 -0.172 -0.678 4.234 1.00 0.00 C ATOM 463 C LYS A 51 -0.705 -1.647 5.313 1.00 0.00 C ATOM 464 O LYS A 51 -1.141 -2.753 5.000 1.00 0.00 O ATOM 465 CB LYS A 51 1.174 -1.153 3.598 1.00 0.00 C ATOM 466 CG LYS A 51 2.263 -1.742 4.533 1.00 0.00 C ATOM 467 CD LYS A 51 2.782 -0.753 5.602 1.00 0.00 C ATOM 468 CE LYS A 51 4.167 -1.147 6.152 1.00 0.00 C ATOM 469 NZ LYS A 51 4.181 -2.491 6.779 1.00 0.00 N ATOM 0 H LYS A 51 0.841 1.050 4.922 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.891 -0.684 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.939 -1.906 2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.611 -0.304 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.859 -2.622 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.104 -2.078 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.838 0.246 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.069 -0.706 6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.894 -1.123 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.484 -0.406 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.846 -2.494 7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.227 -2.724 7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.480 -3.198 6.077 1.00 0.00 H new ATOM 483 N GLU A 52 -0.674 -1.204 6.587 1.00 0.00 N ATOM 484 CA GLU A 52 -1.300 -1.937 7.702 1.00 0.00 C ATOM 485 C GLU A 52 -2.833 -1.790 7.650 1.00 0.00 C ATOM 486 O GLU A 52 -3.566 -2.687 8.076 1.00 0.00 O ATOM 487 CB GLU A 52 -0.725 -1.469 9.060 1.00 0.00 C ATOM 488 CG GLU A 52 0.808 -1.623 9.161 1.00 0.00 C ATOM 489 CD GLU A 52 1.371 -1.284 10.553 1.00 0.00 C ATOM 490 OE1 GLU A 52 1.411 -0.095 10.916 1.00 0.00 O ATOM 491 OE2 GLU A 52 1.792 -2.209 11.282 1.00 0.00 O ATOM 0 H GLU A 52 -0.218 -0.336 6.868 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.065 -2.996 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.989 -0.423 9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.194 -2.040 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.079 -2.648 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.279 -0.977 8.420 1.00 0.00 H new ATOM 498 N GLU A 53 -3.313 -0.651 7.121 1.00 0.00 N ATOM 499 CA GLU A 53 -4.748 -0.453 6.835 1.00 0.00 C ATOM 500 C GLU A 53 -5.157 -1.233 5.567 1.00 0.00 C ATOM 501 O GLU A 53 -6.301 -1.686 5.444 1.00 0.00 O ATOM 502 CB GLU A 53 -5.084 1.061 6.679 1.00 0.00 C ATOM 503 CG GLU A 53 -4.600 1.964 7.842 1.00 0.00 C ATOM 504 CD GLU A 53 -4.935 1.411 9.246 1.00 0.00 C ATOM 505 OE1 GLU A 53 -6.131 1.349 9.604 1.00 0.00 O ATOM 506 OE2 GLU A 53 -4.006 1.018 9.990 1.00 0.00 O ATOM 0 H GLU A 53 -2.728 0.149 6.882 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.319 -0.839 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.641 1.422 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.164 1.169 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.521 2.095 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.050 2.951 7.734 1.00 0.00 H new ATOM 513 N ILE A 54 -4.195 -1.378 4.633 1.00 0.00 N ATOM 514 CA ILE A 54 -4.371 -2.150 3.388 1.00 0.00 C ATOM 515 C ILE A 54 -4.443 -3.678 3.665 1.00 0.00 C ATOM 516 O ILE A 54 -5.162 -4.393 2.959 1.00 0.00 O ATOM 517 CB ILE A 54 -3.205 -1.843 2.365 1.00 0.00 C ATOM 518 CG1 ILE A 54 -3.224 -0.346 1.903 1.00 0.00 C ATOM 519 CG2 ILE A 54 -3.246 -2.779 1.139 1.00 0.00 C ATOM 520 CD1 ILE A 54 -2.101 0.049 0.947 1.00 0.00 C ATOM 0 H ILE A 54 -3.269 -0.960 4.723 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.319 -1.839 2.949 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.272 -2.029 2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.180 -0.143 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.170 0.292 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.427 -2.531 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.145 -3.813 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.195 -2.655 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.200 1.102 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.138 -0.116 1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.163 -0.557 0.043 1.00 0.00 H new ATOM 532 N SER A 55 -3.717 -4.151 4.705 1.00 0.00 N ATOM 533 CA SER A 55 -3.539 -5.598 4.989 1.00 0.00 C ATOM 534 C SER A 55 -4.886 -6.311 5.206 1.00 0.00 C ATOM 535 O SER A 55 -5.167 -7.340 4.597 1.00 0.00 O ATOM 536 CB SER A 55 -2.614 -5.807 6.215 1.00 0.00 C ATOM 537 OG SER A 55 -3.190 -5.287 7.401 1.00 0.00 O ATOM 0 H SER A 55 -3.239 -3.544 5.370 1.00 0.00 H new ATOM 0 HA SER A 55 -3.068 -6.043 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.415 -6.871 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.655 -5.323 6.034 1.00 0.00 H new ATOM 0 HG SER A 55 -3.190 -4.308 7.362 1.00 0.00 H new ATOM 543 N LYS A 56 -5.713 -5.706 6.056 1.00 0.00 N ATOM 544 CA LYS A 56 -7.052 -6.213 6.413 1.00 0.00 C ATOM 545 C LYS A 56 -8.060 -6.034 5.255 1.00 0.00 C ATOM 546 O LYS A 56 -9.063 -6.751 5.192 1.00 0.00 O ATOM 547 CB LYS A 56 -7.525 -5.477 7.694 1.00 0.00 C ATOM 548 CG LYS A 56 -7.600 -3.938 7.535 1.00 0.00 C ATOM 549 CD LYS A 56 -7.800 -3.187 8.873 1.00 0.00 C ATOM 550 CE LYS A 56 -7.860 -1.653 8.684 1.00 0.00 C ATOM 551 NZ LYS A 56 -7.898 -0.911 9.978 1.00 0.00 N ATOM 0 H LYS A 56 -5.475 -4.834 6.528 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.995 -7.285 6.603 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.508 -5.853 7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.846 -5.716 8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.683 -3.585 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.421 -3.690 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.722 -3.529 9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.984 -3.435 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.992 -1.328 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.743 -1.398 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.274 -0.081 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.871 -0.600 10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.575 -1.534 10.745 1.00 0.00 H new ATOM 565 N ARG A 57 -7.773 -5.088 4.338 1.00 0.00 N ATOM 566 CA ARG A 57 -8.655 -4.776 3.196 1.00 0.00 C ATOM 567 C ARG A 57 -8.502 -5.842 2.086 1.00 0.00 C ATOM 568 O ARG A 57 -9.471 -6.506 1.707 1.00 0.00 O ATOM 569 CB ARG A 57 -8.319 -3.369 2.629 1.00 0.00 C ATOM 570 CG ARG A 57 -9.327 -2.831 1.578 1.00 0.00 C ATOM 571 CD ARG A 57 -10.668 -2.404 2.211 1.00 0.00 C ATOM 572 NE ARG A 57 -11.675 -2.082 1.192 1.00 0.00 N ATOM 573 CZ ARG A 57 -12.899 -1.576 1.432 1.00 0.00 C ATOM 574 NH1 ARG A 57 -13.275 -1.233 2.659 1.00 0.00 N ATOM 575 NH2 ARG A 57 -13.737 -1.413 0.419 1.00 0.00 N ATOM 0 H ARG A 57 -6.926 -4.521 4.368 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.687 -4.782 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.268 -2.662 3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.328 -3.403 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.886 -1.980 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.511 -3.601 0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.040 -3.206 2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.508 -1.536 2.851 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.426 -2.257 0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.631 -1.351 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.207 -0.851 2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.451 -1.670 -0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.668 -1.031 0.584 1.00 0.00 H new ATOM 589 N PHE A 58 -7.260 -5.989 1.584 1.00 0.00 N ATOM 590 CA PHE A 58 -6.919 -6.939 0.499 1.00 0.00 C ATOM 591 C PHE A 58 -6.589 -8.343 1.049 1.00 0.00 C ATOM 592 O PHE A 58 -6.249 -9.236 0.267 1.00 0.00 O ATOM 593 CB PHE A 58 -5.730 -6.398 -0.345 1.00 0.00 C ATOM 594 CG PHE A 58 -6.072 -5.180 -1.218 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.986 -3.884 -0.713 1.00 0.00 C ATOM 596 CD2 PHE A 58 -6.465 -5.340 -2.550 1.00 0.00 C ATOM 597 CE1 PHE A 58 -6.281 -2.790 -1.503 1.00 0.00 C ATOM 598 CE2 PHE A 58 -6.762 -4.245 -3.341 1.00 0.00 C ATOM 599 CZ PHE A 58 -6.663 -2.969 -2.819 1.00 0.00 C ATOM 0 H PHE A 58 -6.460 -5.452 1.919 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.796 -7.032 -0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.915 -6.130 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.363 -7.198 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.684 -3.733 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.538 -6.333 -2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.213 -1.794 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.071 -4.387 -4.366 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.884 -2.113 -3.439 1.00 0.00 H new ATOM 609 N LYS A 59 -6.680 -8.521 2.390 1.00 0.00 N ATOM 610 CA LYS A 59 -6.447 -9.815 3.087 1.00 0.00 C ATOM 611 C LYS A 59 -5.002 -10.321 2.873 1.00 0.00 C ATOM 612 O LYS A 59 -4.726 -11.517 2.996 1.00 0.00 O ATOM 613 CB LYS A 59 -7.496 -10.884 2.661 1.00 0.00 C ATOM 614 CG LYS A 59 -8.970 -10.444 2.820 1.00 0.00 C ATOM 615 CD LYS A 59 -9.347 -10.060 4.270 1.00 0.00 C ATOM 616 CE LYS A 59 -10.828 -9.648 4.403 1.00 0.00 C ATOM 617 NZ LYS A 59 -11.158 -9.184 5.776 1.00 0.00 N ATOM 0 H LYS A 59 -6.920 -7.762 3.028 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.574 -9.640 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.321 -11.149 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.335 -11.786 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.159 -9.592 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.620 -11.253 2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.147 -10.904 4.930 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.713 -9.238 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.048 -8.854 3.690 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.464 -10.495 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.176 -8.982 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.909 -9.925 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.620 -8.320 5.989 1.00 0.00 H new ATOM 631 N SER A 60 -4.083 -9.381 2.619 1.00 0.00 N ATOM 632 CA SER A 60 -2.676 -9.674 2.303 1.00 0.00 C ATOM 633 C SER A 60 -1.775 -9.218 3.454 1.00 0.00 C ATOM 634 O SER A 60 -2.059 -8.214 4.095 1.00 0.00 O ATOM 635 CB SER A 60 -2.295 -8.951 1.002 1.00 0.00 C ATOM 636 OG SER A 60 -3.155 -9.321 -0.066 1.00 0.00 O ATOM 0 H SER A 60 -4.296 -8.384 2.627 1.00 0.00 H new ATOM 0 HA SER A 60 -2.543 -10.748 2.170 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.345 -7.873 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.264 -9.189 0.740 1.00 0.00 H new ATOM 0 HG SER A 60 -3.731 -8.563 -0.300 1.00 0.00 H new ATOM 642 N HIS A 61 -0.683 -9.958 3.701 1.00 0.00 N ATOM 643 CA HIS A 61 0.292 -9.605 4.754 1.00 0.00 C ATOM 644 C HIS A 61 1.086 -8.342 4.338 1.00 0.00 C ATOM 645 O HIS A 61 1.344 -8.143 3.149 1.00 0.00 O ATOM 646 CB HIS A 61 1.249 -10.789 5.018 1.00 0.00 C ATOM 647 CG HIS A 61 0.553 -12.081 5.374 1.00 0.00 C ATOM 648 ND1 HIS A 61 0.739 -13.257 4.680 1.00 0.00 N ATOM 649 CD2 HIS A 61 -0.324 -12.377 6.360 1.00 0.00 C ATOM 650 CE1 HIS A 61 0.005 -14.205 5.216 1.00 0.00 C ATOM 651 NE2 HIS A 61 -0.649 -13.700 6.237 1.00 0.00 N ATOM 0 H HIS A 61 -0.449 -10.807 3.186 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.246 -9.389 5.677 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.861 -10.952 4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.927 -10.520 5.828 1.00 0.00 H new ATOM 0 HD1 HIS A 61 1.353 -13.373 3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.699 -11.694 7.108 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.051 -15.228 4.875 1.00 0.00 H new ATOM 660 N THR A 62 1.477 -7.507 5.321 1.00 0.00 N ATOM 661 CA THR A 62 2.114 -6.190 5.066 1.00 0.00 C ATOM 662 C THR A 62 3.482 -6.292 4.349 1.00 0.00 C ATOM 663 O THR A 62 3.924 -5.322 3.723 1.00 0.00 O ATOM 664 CB THR A 62 2.271 -5.383 6.396 1.00 0.00 C ATOM 665 OG1 THR A 62 2.888 -6.204 7.397 1.00 0.00 O ATOM 666 CG2 THR A 62 0.925 -4.867 6.919 1.00 0.00 C ATOM 0 H THR A 62 1.363 -7.721 6.312 1.00 0.00 H new ATOM 0 HA THR A 62 1.442 -5.662 4.390 1.00 0.00 H new ATOM 0 HB THR A 62 2.900 -4.520 6.180 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.985 -5.691 8.227 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.083 -4.313 7.844 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.473 -4.211 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.261 -5.710 7.110 1.00 0.00 H new ATOM 674 N ASP A 63 4.145 -7.460 4.457 1.00 0.00 N ATOM 675 CA ASP A 63 5.444 -7.725 3.782 1.00 0.00 C ATOM 676 C ASP A 63 5.246 -8.012 2.278 1.00 0.00 C ATOM 677 O ASP A 63 6.176 -7.875 1.482 1.00 0.00 O ATOM 678 CB ASP A 63 6.182 -8.905 4.462 1.00 0.00 C ATOM 679 CG ASP A 63 5.482 -10.262 4.260 1.00 0.00 C ATOM 680 OD1 ASP A 63 4.441 -10.495 4.896 1.00 0.00 O ATOM 681 OD2 ASP A 63 5.960 -11.092 3.461 1.00 0.00 O ATOM 0 H ASP A 63 3.803 -8.246 5.010 1.00 0.00 H new ATOM 0 HA ASP A 63 6.056 -6.828 3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.196 -8.965 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.267 -8.704 5.530 1.00 0.00 H new ATOM 686 N GLN A 64 4.032 -8.450 1.912 1.00 0.00 N ATOM 687 CA GLN A 64 3.624 -8.617 0.502 1.00 0.00 C ATOM 688 C GLN A 64 3.363 -7.240 -0.128 1.00 0.00 C ATOM 689 O GLN A 64 3.617 -7.012 -1.316 1.00 0.00 O ATOM 690 CB GLN A 64 2.335 -9.476 0.407 1.00 0.00 C ATOM 691 CG GLN A 64 2.445 -10.891 1.014 1.00 0.00 C ATOM 692 CD GLN A 64 1.108 -11.644 1.102 1.00 0.00 C ATOM 693 OE1 GLN A 64 0.903 -12.445 2.002 1.00 0.00 O ATOM 694 NE2 GLN A 64 0.191 -11.416 0.167 1.00 0.00 N ATOM 0 H GLN A 64 3.304 -8.699 2.581 1.00 0.00 H new ATOM 0 HA GLN A 64 4.427 -9.122 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.525 -8.945 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.055 -9.568 -0.642 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.141 -11.478 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.872 -10.813 2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.378 -10.744 -0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.699 -11.913 0.194 1.00 0.00 H new ATOM 703 N LEU A 65 2.853 -6.334 0.712 1.00 0.00 N ATOM 704 CA LEU A 65 2.385 -5.009 0.311 1.00 0.00 C ATOM 705 C LEU A 65 3.561 -4.026 0.198 1.00 0.00 C ATOM 706 O LEU A 65 4.096 -3.563 1.219 1.00 0.00 O ATOM 707 CB LEU A 65 1.348 -4.510 1.351 1.00 0.00 C ATOM 708 CG LEU A 65 0.133 -5.461 1.587 1.00 0.00 C ATOM 709 CD1 LEU A 65 -0.723 -5.003 2.778 1.00 0.00 C ATOM 710 CD2 LEU A 65 -0.722 -5.606 0.314 1.00 0.00 C ATOM 0 H LEU A 65 2.753 -6.508 1.712 1.00 0.00 H new ATOM 0 HA LEU A 65 1.915 -5.071 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.857 -4.354 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.972 -3.539 1.028 1.00 0.00 H new ATOM 0 HG LEU A 65 0.536 -6.444 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.559 -5.690 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.114 -4.994 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.104 -4.000 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.560 -6.275 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.101 -4.628 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.111 -6.018 -0.489 1.00 0.00 H new ATOM 722 N VAL A 66 3.975 -3.732 -1.046 1.00 0.00 N ATOM 723 CA VAL A 66 4.989 -2.696 -1.328 1.00 0.00 C ATOM 724 C VAL A 66 4.340 -1.559 -2.142 1.00 0.00 C ATOM 725 O VAL A 66 3.820 -1.773 -3.247 1.00 0.00 O ATOM 726 CB VAL A 66 6.274 -3.282 -2.044 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.078 -4.198 -1.083 1.00 0.00 C ATOM 728 CG2 VAL A 66 5.929 -4.043 -3.348 1.00 0.00 C ATOM 0 H VAL A 66 3.621 -4.200 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 66 5.345 -2.294 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 66 6.893 -2.428 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.955 -4.587 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.395 -3.623 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.449 -5.028 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.845 -4.425 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.263 -4.875 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.436 -3.366 -4.045 1.00 0.00 H new ATOM 738 N LEU A 67 4.313 -0.359 -1.543 1.00 0.00 N ATOM 739 CA LEU A 67 3.778 0.844 -2.180 1.00 0.00 C ATOM 740 C LEU A 67 4.879 1.507 -3.016 1.00 0.00 C ATOM 741 O LEU A 67 5.997 1.684 -2.545 1.00 0.00 O ATOM 742 CB LEU A 67 3.244 1.822 -1.103 1.00 0.00 C ATOM 743 CG LEU A 67 1.957 1.353 -0.343 1.00 0.00 C ATOM 744 CD1 LEU A 67 1.639 2.271 0.848 1.00 0.00 C ATOM 745 CD2 LEU A 67 0.743 1.269 -1.299 1.00 0.00 C ATOM 0 H LEU A 67 4.664 -0.200 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 67 2.950 0.574 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.033 1.995 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.035 2.780 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 67 2.158 0.355 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.740 1.915 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.475 2.262 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.476 3.288 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.136 0.941 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.553 2.251 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.956 0.556 -2.095 1.00 0.00 H new ATOM 757 N ILE A 68 4.559 1.803 -4.280 1.00 0.00 N ATOM 758 CA ILE A 68 5.416 2.581 -5.185 1.00 0.00 C ATOM 759 C ILE A 68 4.676 3.891 -5.544 1.00 0.00 C ATOM 760 O ILE A 68 3.443 3.904 -5.656 1.00 0.00 O ATOM 761 CB ILE A 68 5.795 1.783 -6.514 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.560 0.445 -6.206 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.640 2.651 -7.485 1.00 0.00 C ATOM 764 CD1 ILE A 68 5.683 -0.726 -5.779 1.00 0.00 C ATOM 0 H ILE A 68 3.684 1.505 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 68 6.356 2.789 -4.673 1.00 0.00 H new ATOM 0 HB ILE A 68 4.849 1.535 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.119 0.153 -7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.290 0.636 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.878 2.072 -8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.073 3.538 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.564 2.954 -6.992 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.308 -1.599 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.143 -0.463 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.970 -0.954 -6.571 1.00 0.00 H new ATOM 776 N PHE A 69 5.434 4.977 -5.688 1.00 0.00 N ATOM 777 CA PHE A 69 4.930 6.264 -6.189 1.00 0.00 C ATOM 778 C PHE A 69 6.125 7.078 -6.685 1.00 0.00 C ATOM 779 O PHE A 69 7.193 7.037 -6.060 1.00 0.00 O ATOM 780 CB PHE A 69 4.145 7.041 -5.099 1.00 0.00 C ATOM 781 CG PHE A 69 3.404 8.283 -5.622 1.00 0.00 C ATOM 782 CD1 PHE A 69 2.126 8.173 -6.174 1.00 0.00 C ATOM 783 CD2 PHE A 69 3.985 9.552 -5.571 1.00 0.00 C ATOM 784 CE1 PHE A 69 1.455 9.290 -6.650 1.00 0.00 C ATOM 785 CE2 PHE A 69 3.314 10.660 -6.050 1.00 0.00 C ATOM 786 CZ PHE A 69 2.051 10.531 -6.589 1.00 0.00 C ATOM 0 H PHE A 69 6.428 4.993 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 69 4.229 6.085 -7.004 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.422 6.368 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.839 7.348 -4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.653 7.204 -6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.973 9.669 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.465 9.187 -7.069 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.781 11.633 -6.002 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.530 11.400 -6.962 1.00 0.00 H new ATOM 796 N ALA A 70 5.933 7.786 -7.819 1.00 0.00 N ATOM 797 CA ALA A 70 6.959 8.648 -8.447 1.00 0.00 C ATOM 798 C ALA A 70 8.170 7.843 -8.971 1.00 0.00 C ATOM 799 O ALA A 70 9.211 8.428 -9.285 1.00 0.00 O ATOM 800 CB ALA A 70 7.413 9.771 -7.488 1.00 0.00 C ATOM 0 H ALA A 70 5.051 7.775 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 70 6.487 9.110 -9.314 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.167 10.386 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.556 10.390 -7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.837 9.330 -6.586 1.00 0.00 H new ATOM 806 N GLY A 71 8.005 6.512 -9.096 1.00 0.00 N ATOM 807 CA GLY A 71 9.070 5.621 -9.563 1.00 0.00 C ATOM 808 C GLY A 71 10.035 5.186 -8.463 1.00 0.00 C ATOM 809 O GLY A 71 11.154 4.768 -8.763 1.00 0.00 O ATOM 0 H GLY A 71 7.132 6.032 -8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.620 4.735 -10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.633 6.124 -10.350 1.00 0.00 H new ATOM 813 N LYS A 72 9.602 5.277 -7.190 1.00 0.00 N ATOM 814 CA LYS A 72 10.376 4.789 -6.021 1.00 0.00 C ATOM 815 C LYS A 72 9.431 4.069 -5.048 1.00 0.00 C ATOM 816 O LYS A 72 8.227 4.304 -5.065 1.00 0.00 O ATOM 817 CB LYS A 72 11.158 5.964 -5.330 1.00 0.00 C ATOM 818 CG LYS A 72 10.329 7.216 -4.914 1.00 0.00 C ATOM 819 CD LYS A 72 9.545 7.049 -3.574 1.00 0.00 C ATOM 820 CE LYS A 72 10.457 6.864 -2.346 1.00 0.00 C ATOM 821 NZ LYS A 72 11.373 8.009 -2.132 1.00 0.00 N ATOM 0 H LYS A 72 8.704 5.691 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 72 11.128 4.075 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.645 5.569 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.948 6.290 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.001 8.069 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.621 7.450 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.915 7.925 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.881 6.189 -3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.840 6.728 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.044 5.954 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.890 7.878 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.051 8.063 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.823 8.890 -2.088 1.00 0.00 H new ATOM 835 N ILE A 73 9.997 3.221 -4.180 1.00 0.00 N ATOM 836 CA ILE A 73 9.216 2.481 -3.168 1.00 0.00 C ATOM 837 C ILE A 73 9.102 3.313 -1.872 1.00 0.00 C ATOM 838 O ILE A 73 10.107 3.818 -1.346 1.00 0.00 O ATOM 839 CB ILE A 73 9.776 1.029 -2.855 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.180 1.021 -2.145 1.00 0.00 C ATOM 841 CG2 ILE A 73 9.810 0.167 -4.137 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.376 1.433 -2.987 1.00 0.00 C ATOM 0 H ILE A 73 10.998 3.026 -4.155 1.00 0.00 H new ATOM 0 HA ILE A 73 8.226 2.328 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 73 9.079 0.592 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.128 1.684 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.363 0.016 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.197 -0.824 -3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.802 0.075 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.455 0.641 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.281 1.385 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.472 0.758 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.234 2.452 -3.347 1.00 0.00 H new ATOM 854 N LEU A 74 7.866 3.484 -1.401 1.00 0.00 N ATOM 855 CA LEU A 74 7.549 4.234 -0.186 1.00 0.00 C ATOM 856 C LEU A 74 7.921 3.398 1.062 1.00 0.00 C ATOM 857 O LEU A 74 7.404 2.282 1.247 1.00 0.00 O ATOM 858 CB LEU A 74 6.034 4.595 -0.177 1.00 0.00 C ATOM 859 CG LEU A 74 5.435 5.225 -1.479 1.00 0.00 C ATOM 860 CD1 LEU A 74 3.940 5.597 -1.285 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.249 6.448 -1.948 1.00 0.00 C ATOM 0 H LEU A 74 7.042 3.098 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 74 8.129 5.157 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.473 3.688 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.858 5.289 0.645 1.00 0.00 H new ATOM 0 HG LEU A 74 5.498 4.469 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.551 6.032 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.371 4.701 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.847 6.320 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.802 6.857 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.246 7.208 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.275 6.144 -2.155 1.00 0.00 H new ATOM 873 N LYS A 75 8.828 3.930 1.886 1.00 0.00 N ATOM 874 CA LYS A 75 9.295 3.270 3.117 1.00 0.00 C ATOM 875 C LYS A 75 8.492 3.757 4.337 1.00 0.00 C ATOM 876 O LYS A 75 7.603 4.609 4.212 1.00 0.00 O ATOM 877 CB LYS A 75 10.807 3.553 3.315 1.00 0.00 C ATOM 878 CG LYS A 75 11.731 3.005 2.207 1.00 0.00 C ATOM 879 CD LYS A 75 11.652 1.469 2.082 1.00 0.00 C ATOM 880 CE LYS A 75 12.750 0.896 1.179 1.00 0.00 C ATOM 881 NZ LYS A 75 14.115 1.186 1.697 1.00 0.00 N ATOM 0 H LYS A 75 9.264 4.837 1.720 1.00 0.00 H new ATOM 0 HA LYS A 75 9.140 2.195 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.952 4.631 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.118 3.126 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.460 3.459 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.760 3.297 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.732 1.023 3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.676 1.190 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.619 -0.182 1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.648 1.313 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.804 0.567 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.355 2.180 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.141 1.014 2.722 1.00 0.00 H new ATOM 895 N ASP A 76 8.840 3.213 5.525 1.00 0.00 N ATOM 896 CA ASP A 76 8.200 3.594 6.807 1.00 0.00 C ATOM 897 C ASP A 76 8.479 5.070 7.156 1.00 0.00 C ATOM 898 O ASP A 76 7.647 5.730 7.782 1.00 0.00 O ATOM 899 CB ASP A 76 8.668 2.677 7.969 1.00 0.00 C ATOM 900 CG ASP A 76 10.161 2.822 8.316 1.00 0.00 C ATOM 901 OD1 ASP A 76 10.990 2.140 7.687 1.00 0.00 O ATOM 902 OD2 ASP A 76 10.508 3.617 9.212 1.00 0.00 O ATOM 0 H ASP A 76 9.566 2.503 5.623 1.00 0.00 H new ATOM 0 HA ASP A 76 7.125 3.465 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.076 2.900 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.466 1.639 7.704 1.00 0.00 H new ATOM 907 N GLN A 77 9.647 5.572 6.700 1.00 0.00 N ATOM 908 CA GLN A 77 10.100 6.961 6.934 1.00 0.00 C ATOM 909 C GLN A 77 9.288 7.978 6.102 1.00 0.00 C ATOM 910 O GLN A 77 9.446 9.186 6.276 1.00 0.00 O ATOM 911 CB GLN A 77 11.612 7.095 6.579 1.00 0.00 C ATOM 912 CG GLN A 77 11.947 6.799 5.093 1.00 0.00 C ATOM 913 CD GLN A 77 13.392 7.112 4.698 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.309 7.044 5.513 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.608 7.442 3.434 1.00 0.00 N ATOM 0 H GLN A 77 10.308 5.020 6.154 1.00 0.00 H new ATOM 0 HA GLN A 77 9.942 7.183 7.989 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.942 8.106 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.183 6.415 7.211 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.747 5.747 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.276 7.379 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.828 7.491 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.555 7.648 3.115 1.00 0.00 H new ATOM 924 N ASP A 78 8.437 7.467 5.194 1.00 0.00 N ATOM 925 CA ASP A 78 7.632 8.281 4.273 1.00 0.00 C ATOM 926 C ASP A 78 6.177 8.376 4.739 1.00 0.00 C ATOM 927 O ASP A 78 5.679 7.509 5.470 1.00 0.00 O ATOM 928 CB ASP A 78 7.674 7.669 2.842 1.00 0.00 C ATOM 929 CG ASP A 78 9.073 7.702 2.221 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.431 8.732 1.616 1.00 0.00 O ATOM 931 OD2 ASP A 78 9.832 6.723 2.349 1.00 0.00 O ATOM 0 H ASP A 78 8.289 6.464 5.080 1.00 0.00 H new ATOM 0 HA ASP A 78 8.058 9.284 4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.324 6.637 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.983 8.214 2.199 1.00 0.00 H new ATOM 936 N THR A 79 5.510 9.461 4.314 1.00 0.00 N ATOM 937 CA THR A 79 4.050 9.586 4.343 1.00 0.00 C ATOM 938 C THR A 79 3.572 9.741 2.897 1.00 0.00 C ATOM 939 O THR A 79 4.240 10.390 2.078 1.00 0.00 O ATOM 940 CB THR A 79 3.566 10.814 5.190 1.00 0.00 C ATOM 941 OG1 THR A 79 4.146 12.013 4.672 1.00 0.00 O ATOM 942 CG2 THR A 79 3.914 10.679 6.682 1.00 0.00 C ATOM 0 H THR A 79 5.979 10.285 3.936 1.00 0.00 H new ATOM 0 HA THR A 79 3.632 8.697 4.815 1.00 0.00 H new ATOM 0 HB THR A 79 2.479 10.851 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.841 12.779 5.201 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.556 11.557 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.439 9.786 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.995 10.599 6.798 1.00 0.00 H new ATOM 950 N LEU A 80 2.430 9.119 2.591 1.00 0.00 N ATOM 951 CA LEU A 80 1.756 9.257 1.284 1.00 0.00 C ATOM 952 C LEU A 80 1.410 10.740 1.003 1.00 0.00 C ATOM 953 O LEU A 80 1.593 11.228 -0.114 1.00 0.00 O ATOM 954 CB LEU A 80 0.480 8.359 1.196 1.00 0.00 C ATOM 955 CG LEU A 80 -0.591 8.505 2.343 1.00 0.00 C ATOM 956 CD1 LEU A 80 -2.013 8.229 1.827 1.00 0.00 C ATOM 957 CD2 LEU A 80 -0.286 7.582 3.545 1.00 0.00 C ATOM 0 H LEU A 80 1.941 8.503 3.240 1.00 0.00 H new ATOM 0 HA LEU A 80 2.449 8.913 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.013 8.567 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.802 7.318 1.167 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.534 9.539 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.725 8.339 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.257 8.938 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.067 7.214 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.050 7.717 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.283 6.543 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.690 7.834 3.959 1.00 0.00 H new ATOM 969 N SER A 81 0.976 11.446 2.062 1.00 0.00 N ATOM 970 CA SER A 81 0.572 12.862 2.011 1.00 0.00 C ATOM 971 C SER A 81 1.730 13.784 1.544 1.00 0.00 C ATOM 972 O SER A 81 1.494 14.734 0.792 1.00 0.00 O ATOM 973 CB SER A 81 0.051 13.278 3.407 1.00 0.00 C ATOM 974 OG SER A 81 -0.477 14.593 3.406 1.00 0.00 O ATOM 0 H SER A 81 0.895 11.041 2.994 1.00 0.00 H new ATOM 0 HA SER A 81 -0.222 12.976 1.272 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.720 12.578 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.863 13.214 4.131 1.00 0.00 H new ATOM 0 HG SER A 81 -0.353 14.996 4.291 1.00 0.00 H new ATOM 980 N GLN A 82 2.980 13.473 1.974 1.00 0.00 N ATOM 981 CA GLN A 82 4.195 14.219 1.554 1.00 0.00 C ATOM 982 C GLN A 82 4.453 14.072 0.035 1.00 0.00 C ATOM 983 O GLN A 82 4.983 14.985 -0.600 1.00 0.00 O ATOM 984 CB GLN A 82 5.426 13.736 2.365 1.00 0.00 C ATOM 985 CG GLN A 82 6.790 14.382 1.987 1.00 0.00 C ATOM 986 CD GLN A 82 6.843 15.904 2.164 1.00 0.00 C ATOM 987 OE1 GLN A 82 6.216 16.473 3.047 1.00 0.00 O ATOM 988 NE2 GLN A 82 7.628 16.571 1.334 1.00 0.00 N ATOM 0 H GLN A 82 3.173 12.705 2.616 1.00 0.00 H new ATOM 0 HA GLN A 82 4.029 15.277 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.237 13.926 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.513 12.656 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.573 13.931 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.016 14.142 0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.140 16.073 0.606 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.721 17.583 1.422 1.00 0.00 H new ATOM 997 N HIS A 83 4.046 12.925 -0.542 1.00 0.00 N ATOM 998 CA HIS A 83 4.206 12.650 -1.992 1.00 0.00 C ATOM 999 C HIS A 83 3.088 13.301 -2.833 1.00 0.00 C ATOM 1000 O HIS A 83 3.070 13.157 -4.055 1.00 0.00 O ATOM 1001 CB HIS A 83 4.265 11.124 -2.239 1.00 0.00 C ATOM 1002 CG HIS A 83 5.547 10.491 -1.762 1.00 0.00 C ATOM 1003 ND1 HIS A 83 5.779 10.159 -0.452 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.686 10.184 -2.429 1.00 0.00 C ATOM 1005 CE1 HIS A 83 6.999 9.686 -0.334 1.00 0.00 C ATOM 1006 NE2 HIS A 83 7.577 9.688 -1.515 1.00 0.00 N ATOM 0 H HIS A 83 3.600 12.166 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 83 5.146 13.099 -2.314 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.424 10.649 -1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 83 4.148 10.931 -3.305 1.00 0.00 H new ATOM 0 HD1 HIS A 83 5.110 10.263 0.311 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.859 10.308 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.454 9.349 0.586 1.00 0.00 H new ATOM 1015 N GLY A 84 2.179 14.034 -2.165 1.00 0.00 N ATOM 1016 CA GLY A 84 1.078 14.726 -2.835 1.00 0.00 C ATOM 1017 C GLY A 84 -0.169 13.869 -2.959 1.00 0.00 C ATOM 1018 O GLY A 84 -1.135 14.273 -3.617 1.00 0.00 O ATOM 0 H GLY A 84 2.192 14.159 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 84 0.836 15.634 -2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.401 15.035 -3.829 1.00 0.00 H new ATOM 1022 N ILE A 85 -0.153 12.683 -2.317 1.00 0.00 N ATOM 1023 CA ILE A 85 -1.259 11.727 -2.387 1.00 0.00 C ATOM 1024 C ILE A 85 -2.336 12.112 -1.365 1.00 0.00 C ATOM 1025 O ILE A 85 -2.137 11.964 -0.149 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.777 10.254 -2.121 1.00 0.00 C ATOM 1027 CG1 ILE A 85 0.449 9.885 -3.017 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.936 9.260 -2.341 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.113 8.561 -2.659 1.00 0.00 C ATOM 0 H ILE A 85 0.627 12.369 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.670 11.764 -3.396 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.456 10.188 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.125 9.846 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.190 10.681 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.586 8.245 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.752 9.495 -1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.291 9.337 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.954 8.383 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.471 8.600 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.390 7.752 -2.761 1.00 0.00 H new ATOM 1041 N HIS A 86 -3.466 12.632 -1.870 1.00 0.00 N ATOM 1042 CA HIS A 86 -4.600 13.049 -1.038 1.00 0.00 C ATOM 1043 C HIS A 86 -5.886 13.060 -1.878 1.00 0.00 C ATOM 1044 O HIS A 86 -5.866 13.576 -2.999 1.00 0.00 O ATOM 1045 CB HIS A 86 -4.328 14.448 -0.399 1.00 0.00 C ATOM 1046 CG HIS A 86 -4.112 15.587 -1.372 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -2.877 15.914 -1.885 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -4.982 16.462 -1.930 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -3.000 16.940 -2.706 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -4.268 17.287 -2.747 1.00 0.00 N ATOM 0 H HIS A 86 -3.617 12.774 -2.869 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.727 12.335 -0.224 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.169 14.701 0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.448 14.370 0.240 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -6.048 16.499 -1.759 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -2.197 17.414 -3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.655 18.051 -3.301 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.945 12.405 -1.343 1.00 0.00 N ATOM 1060 CA ASP A 87 -8.357 12.512 -1.800 1.00 0.00 C ATOM 1061 C ASP A 87 -8.549 12.459 -3.337 1.00 0.00 C ATOM 1062 O ASP A 87 -8.373 13.469 -4.039 1.00 0.00 O ATOM 1063 CB ASP A 87 -9.006 13.790 -1.223 1.00 0.00 C ATOM 1064 CG ASP A 87 -10.506 13.903 -1.535 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -11.290 13.094 -0.990 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -10.915 14.791 -2.318 1.00 0.00 O ATOM 0 H ASP A 87 -6.839 11.766 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.857 11.623 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.864 13.805 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.492 14.663 -1.624 1.00 0.00 H new ATOM 1071 N GLY A 88 -8.912 11.280 -3.844 1.00 0.00 N ATOM 1072 CA GLY A 88 -9.161 11.076 -5.269 1.00 0.00 C ATOM 1073 C GLY A 88 -7.945 10.564 -6.017 1.00 0.00 C ATOM 1074 O GLY A 88 -8.092 9.875 -7.035 1.00 0.00 O ATOM 0 H GLY A 88 -9.041 10.441 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.980 10.368 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.484 12.017 -5.714 1.00 0.00 H new ATOM 1078 N LEU A 89 -6.732 10.911 -5.528 1.00 0.00 N ATOM 1079 CA LEU A 89 -5.479 10.447 -6.132 1.00 0.00 C ATOM 1080 C LEU A 89 -5.226 8.980 -5.736 1.00 0.00 C ATOM 1081 O LEU A 89 -5.661 8.521 -4.665 1.00 0.00 O ATOM 1082 CB LEU A 89 -4.281 11.339 -5.708 1.00 0.00 C ATOM 1083 CG LEU A 89 -3.026 11.228 -6.633 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -3.371 11.677 -8.070 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -1.839 12.036 -6.078 1.00 0.00 C ATOM 0 H LEU A 89 -6.603 11.513 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.573 10.518 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.609 12.378 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.991 11.075 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.725 10.181 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.485 11.593 -8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.162 11.042 -8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.709 12.713 -8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.985 11.935 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.118 13.087 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.572 11.659 -5.091 1.00 0.00 H new ATOM 1097 N THR A 90 -4.502 8.267 -6.608 1.00 0.00 N ATOM 1098 CA THR A 90 -4.238 6.836 -6.470 1.00 0.00 C ATOM 1099 C THR A 90 -2.744 6.586 -6.138 1.00 0.00 C ATOM 1100 O THR A 90 -1.875 7.391 -6.493 1.00 0.00 O ATOM 1101 CB THR A 90 -4.641 6.107 -7.796 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.940 6.556 -8.232 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.674 4.578 -7.643 1.00 0.00 C ATOM 0 H THR A 90 -4.079 8.678 -7.440 1.00 0.00 H new ATOM 0 HA THR A 90 -4.832 6.438 -5.648 1.00 0.00 H new ATOM 0 HB THR A 90 -3.879 6.357 -8.534 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.183 6.096 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.959 4.123 -8.592 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.687 4.220 -7.351 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.400 4.305 -6.877 1.00 0.00 H new ATOM 1111 N VAL A 91 -2.472 5.483 -5.415 1.00 0.00 N ATOM 1112 CA VAL A 91 -1.104 4.985 -5.162 1.00 0.00 C ATOM 1113 C VAL A 91 -0.884 3.716 -5.998 1.00 0.00 C ATOM 1114 O VAL A 91 -1.853 3.040 -6.362 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.867 4.629 -3.630 1.00 0.00 C ATOM 1116 CG1 VAL A 91 0.643 4.485 -3.297 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -1.537 5.651 -2.693 1.00 0.00 C ATOM 0 H VAL A 91 -3.198 4.908 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.403 5.774 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.340 3.662 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.761 4.242 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.075 3.689 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.154 5.423 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.351 5.371 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.124 6.642 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.611 5.665 -2.878 1.00 0.00 H new ATOM 1127 N HIS A 92 0.375 3.390 -6.303 1.00 0.00 N ATOM 1128 CA HIS A 92 0.720 2.089 -6.894 1.00 0.00 C ATOM 1129 C HIS A 92 1.021 1.105 -5.754 1.00 0.00 C ATOM 1130 O HIS A 92 1.785 1.425 -4.845 1.00 0.00 O ATOM 1131 CB HIS A 92 1.946 2.188 -7.841 1.00 0.00 C ATOM 1132 CG HIS A 92 1.759 3.065 -9.055 1.00 0.00 C ATOM 1133 ND1 HIS A 92 1.788 2.583 -10.348 1.00 0.00 N ATOM 1134 CD2 HIS A 92 1.599 4.403 -9.163 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.650 3.584 -11.192 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.534 4.701 -10.501 1.00 0.00 N ATOM 0 H HIS A 92 1.173 4.007 -6.152 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.122 1.743 -7.493 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.795 2.564 -7.270 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.207 1.184 -8.176 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.534 5.107 -8.347 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.634 3.504 -12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.415 5.634 -10.896 1.00 0.00 H new ATOM 1145 N LEU A 93 0.373 -0.058 -5.778 1.00 0.00 N ATOM 1146 CA LEU A 93 0.631 -1.148 -4.828 1.00 0.00 C ATOM 1147 C LEU A 93 0.832 -2.445 -5.593 1.00 0.00 C ATOM 1148 O LEU A 93 0.034 -2.793 -6.475 1.00 0.00 O ATOM 1149 CB LEU A 93 -0.537 -1.320 -3.829 1.00 0.00 C ATOM 1150 CG LEU A 93 -0.421 -2.518 -2.819 1.00 0.00 C ATOM 1151 CD1 LEU A 93 0.789 -2.365 -1.883 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -1.714 -2.701 -2.010 1.00 0.00 C ATOM 0 H LEU A 93 -0.352 -0.276 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 93 1.528 -0.898 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.635 -0.398 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.459 -1.441 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.265 -3.417 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.831 -3.215 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.704 -2.328 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.691 -1.444 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.597 -3.538 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.921 -1.793 -1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.543 -2.902 -2.689 1.00 0.00 H new ATOM 1164 N VAL A 94 1.898 -3.152 -5.242 1.00 0.00 N ATOM 1165 CA VAL A 94 2.178 -4.484 -5.765 1.00 0.00 C ATOM 1166 C VAL A 94 2.165 -5.458 -4.595 1.00 0.00 C ATOM 1167 O VAL A 94 2.979 -5.339 -3.668 1.00 0.00 O ATOM 1168 CB VAL A 94 3.563 -4.551 -6.511 1.00 0.00 C ATOM 1169 CG1 VAL A 94 3.841 -5.973 -7.050 1.00 0.00 C ATOM 1170 CG2 VAL A 94 3.637 -3.505 -7.645 1.00 0.00 C ATOM 0 H VAL A 94 2.598 -2.815 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 94 1.415 -4.744 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 94 4.340 -4.313 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.804 -5.987 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.859 -6.680 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.056 -6.257 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.605 -3.575 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.843 -3.695 -8.368 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.515 -2.506 -7.227 1.00 0.00 H new ATOM 1180 N ILE A 95 1.191 -6.367 -4.605 1.00 0.00 N ATOM 1181 CA ILE A 95 1.080 -7.415 -3.597 1.00 0.00 C ATOM 1182 C ILE A 95 1.867 -8.632 -4.084 1.00 0.00 C ATOM 1183 O ILE A 95 1.686 -9.069 -5.228 1.00 0.00 O ATOM 1184 CB ILE A 95 -0.411 -7.830 -3.349 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -1.319 -6.574 -3.170 1.00 0.00 C ATOM 1186 CG2 ILE A 95 -0.504 -8.773 -2.127 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -2.772 -6.890 -2.889 1.00 0.00 C ATOM 0 H ILE A 95 0.458 -6.396 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 95 1.478 -7.037 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.773 -8.369 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.926 -5.970 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.260 -5.966 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.544 -9.055 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.090 -9.668 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.124 -8.261 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.332 -5.961 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.186 -7.466 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.847 -7.470 -1.969 1.00 0.00 H new ATOM 1199 N LYS A 96 2.734 -9.175 -3.228 1.00 0.00 N ATOM 1200 CA LYS A 96 3.533 -10.356 -3.561 1.00 0.00 C ATOM 1201 C LYS A 96 2.729 -11.637 -3.235 1.00 0.00 C ATOM 1202 O LYS A 96 3.082 -12.399 -2.332 1.00 0.00 O ATOM 1203 CB LYS A 96 4.898 -10.303 -2.806 1.00 0.00 C ATOM 1204 CG LYS A 96 6.034 -11.126 -3.461 1.00 0.00 C ATOM 1205 CD LYS A 96 6.469 -10.542 -4.831 1.00 0.00 C ATOM 1206 CE LYS A 96 7.498 -11.422 -5.558 1.00 0.00 C ATOM 1207 NZ LYS A 96 6.952 -12.770 -5.870 1.00 0.00 N ATOM 0 H LYS A 96 2.902 -8.811 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 96 3.754 -10.371 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.217 -9.263 -2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.748 -10.662 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.893 -11.153 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.703 -12.156 -3.596 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.590 -10.421 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.891 -9.549 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.806 -10.932 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.389 -11.525 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.590 -13.259 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.871 -13.323 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.012 -12.672 -6.305 1.00 0.00 H new ATOM 1221 N THR A 97 1.597 -11.818 -3.949 1.00 0.00 N ATOM 1222 CA THR A 97 0.774 -13.034 -3.863 1.00 0.00 C ATOM 1223 C THR A 97 0.146 -13.333 -5.235 1.00 0.00 C ATOM 1224 O THR A 97 -0.003 -12.424 -6.074 1.00 0.00 O ATOM 1225 CB THR A 97 -0.347 -12.901 -2.766 1.00 0.00 C ATOM 1226 OG1 THR A 97 -0.853 -14.192 -2.412 1.00 0.00 O ATOM 1227 CG2 THR A 97 -1.522 -12.011 -3.208 1.00 0.00 C ATOM 0 H THR A 97 1.232 -11.123 -4.600 1.00 0.00 H new ATOM 0 HA THR A 97 1.421 -13.861 -3.571 1.00 0.00 H new ATOM 0 HB THR A 97 0.125 -12.425 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.428 -14.113 -1.622 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.261 -11.960 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.156 -11.008 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.983 -12.434 -4.101 1.00 0.00 H new ATOM 1235 N GLN A 98 -0.213 -14.604 -5.466 1.00 0.00 N ATOM 1236 CA GLN A 98 -0.930 -15.017 -6.693 1.00 0.00 C ATOM 1237 C GLN A 98 -2.363 -14.438 -6.682 1.00 0.00 C ATOM 1238 O GLN A 98 -2.753 -13.742 -7.609 1.00 0.00 O ATOM 1239 CB GLN A 98 -0.908 -16.574 -6.855 1.00 0.00 C ATOM 1240 CG GLN A 98 -1.510 -17.373 -5.681 1.00 0.00 C ATOM 1241 CD GLN A 98 -1.262 -18.883 -5.738 1.00 0.00 C ATOM 1242 OE1 GLN A 98 -1.110 -19.467 -6.809 1.00 0.00 O ATOM 1243 NE2 GLN A 98 -1.241 -19.531 -4.583 1.00 0.00 N ATOM 0 H GLN A 98 -0.020 -15.370 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.419 -14.611 -7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.449 -16.835 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.125 -16.892 -6.996 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.099 -16.986 -4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.585 -17.196 -5.653 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.370 -19.021 -3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.096 -20.540 -4.567 1.00 0.00 H new ATOM 1252 N ASN A 99 -3.088 -14.678 -5.578 1.00 0.00 N ATOM 1253 CA ASN A 99 -4.479 -14.209 -5.337 1.00 0.00 C ATOM 1254 C ASN A 99 -4.772 -14.337 -3.840 1.00 0.00 C ATOM 1255 O ASN A 99 -4.070 -15.068 -3.130 1.00 0.00 O ATOM 1256 CB ASN A 99 -5.544 -15.049 -6.131 1.00 0.00 C ATOM 1257 CG ASN A 99 -5.689 -14.684 -7.614 1.00 0.00 C ATOM 1258 OD1 ASN A 99 -5.568 -13.526 -8.003 1.00 0.00 O ATOM 1259 ND2 ASN A 99 -5.932 -15.675 -8.454 1.00 0.00 N ATOM 0 H ASN A 99 -2.718 -15.221 -4.798 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.552 -13.177 -5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.280 -16.104 -6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -6.513 -14.928 -5.647 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.023 -15.487 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -6.028 -16.628 -8.104 1.00 0.00 H new ATOM 1266 N ARG A 100 -5.817 -13.639 -3.370 1.00 0.00 N ATOM 1267 CA ARG A 100 -6.340 -13.791 -2.002 1.00 0.00 C ATOM 1268 C ARG A 100 -7.816 -14.233 -2.080 1.00 0.00 C ATOM 1269 O ARG A 100 -8.711 -13.382 -2.130 1.00 0.00 O ATOM 1270 CB ARG A 100 -6.168 -12.474 -1.184 1.00 0.00 C ATOM 1271 CG ARG A 100 -4.698 -12.051 -0.898 1.00 0.00 C ATOM 1272 CD ARG A 100 -3.971 -12.965 0.117 1.00 0.00 C ATOM 1273 NE ARG A 100 -3.729 -14.330 -0.396 1.00 0.00 N ATOM 1274 CZ ARG A 100 -3.924 -15.475 0.283 1.00 0.00 C ATOM 1275 NH1 ARG A 100 -4.274 -15.470 1.561 1.00 0.00 N ATOM 1276 NH2 ARG A 100 -3.753 -16.639 -0.334 1.00 0.00 N ATOM 0 H ARG A 100 -6.324 -12.952 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.771 -14.557 -1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.662 -11.665 -1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.687 -12.587 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.141 -12.050 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.691 -11.028 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.017 -12.511 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.564 -13.027 1.030 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.383 -14.411 -1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.401 -14.585 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.416 -16.351 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.476 -16.660 -1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.899 -17.512 0.174 1.00 0.00 H new ATOM 1290 N PRO A 101 -8.089 -15.582 -2.168 1.00 0.00 N ATOM 1291 CA PRO A 101 -9.467 -16.125 -2.209 1.00 0.00 C ATOM 1292 C PRO A 101 -10.150 -16.078 -0.804 1.00 0.00 C ATOM 1293 O PRO A 101 -9.996 -17.019 0.012 1.00 0.00 O ATOM 1294 CB PRO A 101 -9.262 -17.565 -2.762 1.00 0.00 C ATOM 1295 CG PRO A 101 -7.875 -17.953 -2.327 1.00 0.00 C ATOM 1296 CD PRO A 101 -7.066 -16.670 -2.275 1.00 0.00 C ATOM 1297 OXT PRO A 101 -10.801 -15.062 -0.504 1.00 0.00 O ATOM 0 HA PRO A 101 -10.149 -15.547 -2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.008 -18.252 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.357 -17.588 -3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.896 -18.438 -1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.433 -18.662 -3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.389 -16.663 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.453 -16.551 -3.169 1.00 0.00 H new TER 1305 PRO A 101