USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 660 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 6 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= -0.53 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -67:sc= -0.308 USER MOD Single : A 20 GLN : amide:sc= -0.426 K(o=-0.43,f=-4.1!) USER MOD Single : A 23 SER OG : rot 45:sc= 0.706 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.183 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1.5!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.117 F(o=-1.9!,f=-0.12) USER MOD Single : A 48 ASN : amide:sc= -0.0521 X(o=-0.052,f=-0.37) USER MOD Single : A 50 MET CE :methyl -162:sc= -0.0181 (180deg=-0.396) USER MOD Single : A 51 ASN : amide:sc= -3.08 K(o=-3.1,f=-3.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc=-0.00868 K(o=-0.0087,f=-1.7!) USER MOD Single : A 59 THR OG1 : rot 5:sc= -1.76! USER MOD Single : A 61 HIS : no HE2:sc= -0.431 K(o=-0.43,f=-3.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-4.2!) USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= -0.0171 (180deg=-0.447) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -25:sc= 0.293 USER MOD Single : A 77 SER OG : rot 180:sc= -0.317 USER MOD Single : A 79 HIS : no HE2:sc= -0.638 K(o=-0.64,f=-2.1!) USER MOD Single : A 82 THR OG1 : rot 150:sc= 0 USER MOD Single : A 83 CYS SG : rot -150:sc= -0.759 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.246 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 59.802 -11.421 13.847 1.00 0.00 N ATOM 45 CA GLU A 4 61.226 -11.080 13.802 1.00 0.00 C ATOM 46 C GLU A 4 61.438 -9.802 12.992 1.00 0.00 C ATOM 47 O GLU A 4 60.594 -8.906 12.997 1.00 0.00 O ATOM 48 CB GLU A 4 62.033 -12.240 13.195 1.00 0.00 C ATOM 49 CG GLU A 4 61.575 -12.526 11.758 1.00 0.00 C ATOM 50 CD GLU A 4 60.171 -13.119 11.775 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.398 -12.790 10.890 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.890 -13.897 12.671 1.00 0.00 O1- ATOM 0 HA GLU A 4 61.577 -10.909 14.820 1.00 0.00 H new ATOM 0 HB2 GLU A 4 63.095 -11.993 13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.910 -13.134 13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.585 -11.606 11.173 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.266 -13.217 11.276 1.00 0.00 H new ATOM 59 N VAL A 5 62.570 -9.721 12.300 1.00 0.00 N ATOM 60 CA VAL A 5 62.886 -8.547 11.491 1.00 0.00 C ATOM 61 C VAL A 5 62.058 -8.531 10.213 1.00 0.00 C ATOM 62 O VAL A 5 61.983 -9.536 9.507 1.00 0.00 O ATOM 63 CB VAL A 5 64.370 -8.558 11.126 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.657 -9.712 10.161 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.738 -7.224 10.471 1.00 0.00 C ATOM 0 H VAL A 5 63.282 -10.451 12.282 1.00 0.00 H new ATOM 0 HA VAL A 5 62.651 -7.656 12.074 1.00 0.00 H new ATOM 0 HB VAL A 5 64.968 -8.695 12.027 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.716 -9.716 9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 5 64.396 -10.657 10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.064 -9.585 9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.796 -7.227 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.141 -7.084 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.539 -6.410 11.168 1.00 0.00 H new ATOM 75 N THR A 6 61.442 -7.384 9.912 1.00 0.00 N ATOM 76 CA THR A 6 60.622 -7.262 8.693 1.00 0.00 C ATOM 77 C THR A 6 61.171 -6.178 7.776 1.00 0.00 C ATOM 78 O THR A 6 61.404 -5.055 8.210 1.00 0.00 O ATOM 79 CB THR A 6 59.177 -6.926 9.064 1.00 0.00 C ATOM 80 OG1 THR A 6 58.646 -7.965 9.878 1.00 0.00 O ATOM 81 CG2 THR A 6 58.340 -6.787 7.790 1.00 0.00 C ATOM 0 H THR A 6 61.490 -6.539 10.481 1.00 0.00 H new ATOM 0 HA THR A 6 60.654 -8.217 8.168 1.00 0.00 H new ATOM 0 HB THR A 6 59.150 -5.986 9.614 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.720 -7.751 10.119 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.310 -6.548 8.055 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.750 -5.989 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 6 58.363 -7.725 7.235 1.00 0.00 H new ATOM 89 N ILE A 7 61.381 -6.522 6.501 1.00 0.00 N ATOM 90 CA ILE A 7 61.908 -5.564 5.524 1.00 0.00 C ATOM 91 C ILE A 7 60.955 -5.384 4.346 1.00 0.00 C ATOM 92 O ILE A 7 60.779 -6.286 3.526 1.00 0.00 O ATOM 93 CB ILE A 7 63.276 -6.038 4.998 1.00 0.00 C ATOM 94 CG1 ILE A 7 64.124 -6.617 6.161 1.00 0.00 C ATOM 95 CG2 ILE A 7 64.008 -4.852 4.351 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.902 -8.132 6.287 1.00 0.00 C ATOM 0 H ILE A 7 61.195 -7.451 6.123 1.00 0.00 H new ATOM 0 HA ILE A 7 62.017 -4.606 6.032 1.00 0.00 H new ATOM 0 HB ILE A 7 63.126 -6.821 4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 7 65.180 -6.412 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.854 -6.125 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 7 64.977 -5.183 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 7 63.413 -4.465 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 7 64.154 -4.066 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.505 -8.521 7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 7 62.849 -8.330 6.485 1.00 0.00 H new ATOM 0 HD13 ILE A 7 64.195 -8.621 5.358 1.00 0.00 H new ATOM 108 N LEU A 8 60.384 -4.189 4.248 1.00 0.00 N ATOM 109 CA LEU A 8 59.487 -3.843 3.146 1.00 0.00 C ATOM 110 C LEU A 8 60.241 -2.924 2.196 1.00 0.00 C ATOM 111 O LEU A 8 60.296 -1.711 2.405 1.00 0.00 O ATOM 112 CB LEU A 8 58.243 -3.126 3.671 1.00 0.00 C ATOM 113 CG LEU A 8 57.351 -4.112 4.443 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.294 -3.323 5.226 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.659 -5.100 3.471 1.00 0.00 C ATOM 0 H LEU A 8 60.526 -3.437 4.922 1.00 0.00 H new ATOM 0 HA LEU A 8 59.167 -4.750 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.536 -2.302 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.686 -2.693 2.840 1.00 0.00 H new ATOM 0 HG LEU A 8 57.969 -4.688 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.657 -4.015 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.788 -2.649 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.685 -2.743 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 8 56.033 -5.789 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.041 -4.544 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.416 -5.663 2.925 1.00 0.00 H new ATOM 127 N GLU A 9 60.853 -3.514 1.175 1.00 0.00 N ATOM 128 CA GLU A 9 61.648 -2.758 0.206 1.00 0.00 C ATOM 129 C GLU A 9 61.044 -2.849 -1.205 1.00 0.00 C ATOM 130 O GLU A 9 61.392 -3.744 -1.976 1.00 0.00 O ATOM 131 CB GLU A 9 63.074 -3.322 0.204 1.00 0.00 C ATOM 132 CG GLU A 9 63.021 -4.843 0.364 1.00 0.00 C ATOM 133 CD GLU A 9 64.397 -5.444 0.099 1.00 0.00 C ATOM 134 OE1 GLU A 9 64.519 -6.200 -0.851 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.309 -5.138 0.848 1.00 0.00 O1- ATOM 0 H GLU A 9 60.815 -4.517 0.994 1.00 0.00 H new ATOM 0 HA GLU A 9 61.655 -1.706 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.579 -3.061 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.652 -2.880 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.691 -5.100 1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.292 -5.264 -0.328 1.00 0.00 H new ATOM 142 N PRO A 10 60.162 -1.942 -1.561 1.00 0.00 N ATOM 143 CA PRO A 10 59.528 -1.934 -2.910 1.00 0.00 C ATOM 144 C PRO A 10 60.524 -1.538 -4.004 1.00 0.00 C ATOM 145 O PRO A 10 60.245 -1.699 -5.191 1.00 0.00 O ATOM 146 CB PRO A 10 58.371 -0.906 -2.805 1.00 0.00 C ATOM 147 CG PRO A 10 58.389 -0.365 -1.395 1.00 0.00 C ATOM 148 CD PRO A 10 59.680 -0.842 -0.720 1.00 0.00 C ATOM 0 HA PRO A 10 59.171 -2.925 -3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.503 -0.102 -3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.414 -1.379 -3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.344 0.724 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.518 -0.715 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.415 -0.039 -0.661 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.492 -1.178 0.300 1.00 0.00 H new ATOM 156 N LEU A 11 61.682 -1.021 -3.598 1.00 0.00 N ATOM 157 CA LEU A 11 62.702 -0.609 -4.562 1.00 0.00 C ATOM 158 C LEU A 11 63.722 -1.730 -4.744 1.00 0.00 C ATOM 159 O LEU A 11 64.880 -1.606 -4.347 1.00 0.00 O ATOM 160 CB LEU A 11 63.406 0.694 -4.109 1.00 0.00 C ATOM 161 CG LEU A 11 63.423 0.820 -2.577 1.00 0.00 C ATOM 162 CD1 LEU A 11 64.337 -0.256 -1.981 1.00 0.00 C ATOM 163 CD2 LEU A 11 63.949 2.212 -2.193 1.00 0.00 C ATOM 0 H LEU A 11 61.936 -0.878 -2.621 1.00 0.00 H new ATOM 0 HA LEU A 11 62.214 -0.409 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.428 0.708 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 11 62.895 1.554 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 11 62.414 0.688 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.347 -0.164 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.966 -1.243 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.349 -0.128 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 11 63.964 2.309 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.959 2.339 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.298 2.977 -2.616 1.00 0.00 H new ATOM 175 N GLN A 12 63.273 -2.821 -5.355 1.00 0.00 N ATOM 176 CA GLN A 12 64.139 -3.967 -5.601 1.00 0.00 C ATOM 177 C GLN A 12 65.045 -3.694 -6.799 1.00 0.00 C ATOM 178 O GLN A 12 65.883 -4.519 -7.160 1.00 0.00 O ATOM 179 CB GLN A 12 63.297 -5.217 -5.872 1.00 0.00 C ATOM 180 CG GLN A 12 62.582 -5.655 -4.592 1.00 0.00 C ATOM 181 CD GLN A 12 61.683 -6.850 -4.891 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.911 -6.821 -5.850 1.00 0.00 O ATOM 183 NE2 GLN A 12 61.741 -7.909 -4.130 1.00 0.00 N ATOM 0 H GLN A 12 62.316 -2.935 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 12 64.753 -4.133 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 12 62.566 -5.011 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 12 63.934 -6.023 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 12 63.313 -5.919 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 12 61.989 -4.831 -4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 12 62.381 -7.932 -3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 12 61.147 -8.714 -4.329 1.00 0.00 H new ATOM 192 N ASP A 13 64.858 -2.529 -7.413 1.00 0.00 N ATOM 193 CA ASP A 13 65.648 -2.139 -8.577 1.00 0.00 C ATOM 194 C ASP A 13 65.343 -0.697 -8.960 1.00 0.00 C ATOM 195 O ASP A 13 64.203 -0.246 -8.841 1.00 0.00 O ATOM 196 CB ASP A 13 65.331 -3.058 -9.754 1.00 0.00 C ATOM 197 CG ASP A 13 63.832 -3.059 -10.029 1.00 0.00 C ATOM 198 OD1 ASP A 13 63.430 -3.681 -10.999 1.00 0.00 O ATOM 199 OD2 ASP A 13 63.107 -2.436 -9.270 1.00 0.00 O1- ATOM 0 H ASP A 13 64.166 -1.838 -7.124 1.00 0.00 H new ATOM 0 HA ASP A 13 66.705 -2.226 -8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 13 65.871 -2.726 -10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 13 65.669 -4.071 -9.536 1.00 0.00 H new ATOM 204 N VAL A 14 66.368 0.033 -9.406 1.00 0.00 N ATOM 205 CA VAL A 14 66.188 1.440 -9.787 1.00 0.00 C ATOM 206 C VAL A 14 66.885 1.751 -11.109 1.00 0.00 C ATOM 207 O VAL A 14 67.839 1.075 -11.495 1.00 0.00 O ATOM 208 CB VAL A 14 66.757 2.341 -8.689 1.00 0.00 C ATOM 209 CG1 VAL A 14 65.917 2.193 -7.418 1.00 0.00 C ATOM 210 CG2 VAL A 14 68.201 1.928 -8.389 1.00 0.00 C ATOM 0 H VAL A 14 67.320 -0.319 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 14 65.121 1.626 -9.911 1.00 0.00 H new ATOM 0 HB VAL A 14 66.733 3.378 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 14 66.323 2.835 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 14 64.887 2.483 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 14 65.942 1.156 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 14 68.608 2.569 -7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 14 68.221 0.891 -8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 14 68.804 2.030 -9.292 1.00 0.00 H new ATOM 220 N GLN A 15 66.404 2.793 -11.794 1.00 0.00 N ATOM 221 CA GLN A 15 66.985 3.212 -13.073 1.00 0.00 C ATOM 222 C GLN A 15 67.100 4.730 -13.126 1.00 0.00 C ATOM 223 O GLN A 15 66.099 5.439 -13.019 1.00 0.00 O ATOM 224 CB GLN A 15 66.100 2.745 -14.228 1.00 0.00 C ATOM 225 CG GLN A 15 66.139 1.224 -14.317 1.00 0.00 C ATOM 226 CD GLN A 15 65.177 0.749 -15.399 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.357 1.064 -16.576 1.00 0.00 O ATOM 228 NE2 GLN A 15 64.136 0.040 -15.061 1.00 0.00 N ATOM 0 H GLN A 15 65.615 3.361 -11.485 1.00 0.00 H new ATOM 0 HA GLN A 15 67.976 2.766 -13.163 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.076 3.085 -14.075 1.00 0.00 H new ATOM 0 HB3 GLN A 15 66.445 3.183 -15.164 1.00 0.00 H new ATOM 0 HG2 GLN A 15 67.151 0.889 -14.544 1.00 0.00 H new ATOM 0 HG3 GLN A 15 65.866 0.787 -13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 15 63.990 -0.219 -14.085 1.00 0.00 H new ATOM 0 HE22 GLN A 15 63.467 -0.256 -15.772 1.00 0.00 H new ATOM 237 N LEU A 16 68.323 5.225 -13.291 1.00 0.00 N ATOM 238 CA LEU A 16 68.554 6.668 -13.355 1.00 0.00 C ATOM 239 C LEU A 16 69.793 6.983 -14.190 1.00 0.00 C ATOM 240 O LEU A 16 70.810 6.299 -14.095 1.00 0.00 O ATOM 241 CB LEU A 16 68.715 7.229 -11.933 1.00 0.00 C ATOM 242 CG LEU A 16 69.976 6.624 -11.246 1.00 0.00 C ATOM 243 CD1 LEU A 16 71.072 7.687 -11.105 1.00 0.00 C ATOM 244 CD2 LEU A 16 69.617 6.105 -9.846 1.00 0.00 C ATOM 0 H LEU A 16 69.164 4.655 -13.382 1.00 0.00 H new ATOM 0 HA LEU A 16 67.695 7.138 -13.833 1.00 0.00 H new ATOM 0 HB2 LEU A 16 68.801 8.315 -11.972 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.827 7.000 -11.343 1.00 0.00 H new ATOM 0 HG LEU A 16 70.338 5.804 -11.866 1.00 0.00 H new ATOM 0 HD11 LEU A 16 71.945 7.247 -10.623 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.350 8.057 -12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 16 70.701 8.514 -10.499 1.00 0.00 H new ATOM 0 HD21 LEU A 16 70.505 5.684 -9.375 1.00 0.00 H new ATOM 0 HD22 LEU A 16 69.239 6.928 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 16 68.851 5.334 -9.929 1.00 0.00 H new ATOM 256 N SER A 17 69.697 8.021 -15.016 1.00 0.00 N ATOM 257 CA SER A 17 70.819 8.407 -15.862 1.00 0.00 C ATOM 258 C SER A 17 71.897 9.102 -15.027 1.00 0.00 C ATOM 259 O SER A 17 71.598 9.733 -14.013 1.00 0.00 O ATOM 260 CB SER A 17 70.342 9.330 -16.987 1.00 0.00 C ATOM 261 OG SER A 17 69.628 8.564 -17.949 1.00 0.00 O ATOM 0 H SER A 17 68.865 8.602 -15.116 1.00 0.00 H new ATOM 0 HA SER A 17 71.247 7.508 -16.306 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.703 10.115 -16.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 71.194 9.822 -17.456 1.00 0.00 H new ATOM 0 HG SER A 17 70.245 7.954 -18.404 1.00 0.00 H new ATOM 267 N GLU A 18 73.150 8.965 -15.455 1.00 0.00 N ATOM 268 CA GLU A 18 74.278 9.566 -14.740 1.00 0.00 C ATOM 269 C GLU A 18 74.103 11.077 -14.594 1.00 0.00 C ATOM 270 O GLU A 18 73.531 11.731 -15.464 1.00 0.00 O ATOM 271 CB GLU A 18 75.578 9.276 -15.495 1.00 0.00 C ATOM 272 CG GLU A 18 76.772 9.740 -14.657 1.00 0.00 C ATOM 273 CD GLU A 18 78.075 9.411 -15.378 1.00 0.00 C ATOM 274 OE1 GLU A 18 78.018 9.100 -16.556 1.00 0.00 O ATOM 275 OE2 GLU A 18 79.111 9.465 -14.735 1.00 0.00 O1- ATOM 0 H GLU A 18 73.412 8.444 -16.292 1.00 0.00 H new ATOM 0 HA GLU A 18 74.318 9.128 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.659 8.209 -15.703 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.574 9.789 -16.457 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.706 10.813 -14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.753 9.253 -13.682 1.00 0.00 H new ATOM 282 N GLY A 19 74.610 11.625 -13.486 1.00 0.00 N ATOM 283 CA GLY A 19 74.518 13.066 -13.231 1.00 0.00 C ATOM 284 C GLY A 19 73.257 13.423 -12.450 1.00 0.00 C ATOM 285 O GLY A 19 73.091 14.559 -12.002 1.00 0.00 O ATOM 0 H GLY A 19 75.086 11.096 -12.755 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.396 13.393 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.523 13.604 -14.179 1.00 0.00 H new ATOM 289 N GLN A 20 72.367 12.450 -12.291 1.00 0.00 N ATOM 290 CA GLN A 20 71.116 12.669 -11.565 1.00 0.00 C ATOM 291 C GLN A 20 71.242 12.200 -10.119 1.00 0.00 C ATOM 292 O GLN A 20 72.075 11.353 -9.801 1.00 0.00 O ATOM 293 CB GLN A 20 69.980 11.916 -12.255 1.00 0.00 C ATOM 294 CG GLN A 20 69.718 12.547 -13.624 1.00 0.00 C ATOM 295 CD GLN A 20 68.619 11.780 -14.350 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.726 10.569 -14.535 1.00 0.00 O ATOM 297 NE2 GLN A 20 67.566 12.418 -14.786 1.00 0.00 N ATOM 0 H GLN A 20 72.485 11.504 -12.653 1.00 0.00 H new ATOM 0 HA GLN A 20 70.898 13.737 -11.565 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.242 10.864 -12.370 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.078 11.955 -11.644 1.00 0.00 H new ATOM 0 HG2 GLN A 20 69.426 13.590 -13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 20 70.632 12.539 -14.218 1.00 0.00 H new ATOM 0 HE21 GLN A 20 67.478 13.422 -14.632 1.00 0.00 H new ATOM 0 HE22 GLN A 20 66.831 11.912 -15.280 1.00 0.00 H new ATOM 306 N ASP A 21 70.409 12.760 -9.247 1.00 0.00 N ATOM 307 CA ASP A 21 70.438 12.395 -7.837 1.00 0.00 C ATOM 308 C ASP A 21 69.795 11.030 -7.626 1.00 0.00 C ATOM 309 O ASP A 21 68.881 10.645 -8.353 1.00 0.00 O ATOM 310 CB ASP A 21 69.696 13.445 -7.006 1.00 0.00 C ATOM 311 CG ASP A 21 68.271 13.611 -7.525 1.00 0.00 C ATOM 312 OD1 ASP A 21 68.088 13.544 -8.729 1.00 0.00 O ATOM 313 OD2 ASP A 21 67.381 13.799 -6.711 1.00 0.00 O1- ATOM 0 H ASP A 21 69.711 13.463 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 21 71.478 12.350 -7.515 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.677 13.145 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.223 14.398 -7.055 1.00 0.00 H new ATOM 318 N ALA A 22 70.281 10.303 -6.620 1.00 0.00 N ATOM 319 CA ALA A 22 69.754 8.975 -6.304 1.00 0.00 C ATOM 320 C ALA A 22 69.542 8.848 -4.802 1.00 0.00 C ATOM 321 O ALA A 22 70.248 9.472 -4.014 1.00 0.00 O ATOM 322 CB ALA A 22 70.733 7.898 -6.777 1.00 0.00 C ATOM 0 H ALA A 22 71.038 10.611 -6.010 1.00 0.00 H new ATOM 0 HA ALA A 22 68.801 8.842 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.333 6.913 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.873 7.981 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.691 8.032 -6.276 1.00 0.00 H new ATOM 328 N SER A 23 68.559 8.052 -4.408 1.00 0.00 N ATOM 329 CA SER A 23 68.271 7.873 -2.992 1.00 0.00 C ATOM 330 C SER A 23 67.410 6.634 -2.773 1.00 0.00 C ATOM 331 O SER A 23 66.753 6.153 -3.696 1.00 0.00 O ATOM 332 CB SER A 23 67.547 9.108 -2.450 1.00 0.00 C ATOM 333 OG SER A 23 67.310 8.942 -1.058 1.00 0.00 O ATOM 0 H SER A 23 67.954 7.526 -5.039 1.00 0.00 H new ATOM 0 HA SER A 23 69.213 7.742 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 23 68.147 10.001 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.603 9.251 -2.977 1.00 0.00 H new ATOM 0 HG SER A 23 68.121 8.601 -0.627 1.00 0.00 H new ATOM 339 N PHE A 24 67.417 6.121 -1.543 1.00 0.00 N ATOM 340 CA PHE A 24 66.629 4.933 -1.202 1.00 0.00 C ATOM 341 C PHE A 24 65.797 5.189 0.049 1.00 0.00 C ATOM 342 O PHE A 24 66.247 5.854 0.984 1.00 0.00 O ATOM 343 CB PHE A 24 67.558 3.741 -0.945 1.00 0.00 C ATOM 344 CG PHE A 24 68.149 3.259 -2.249 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.202 3.962 -2.843 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.654 2.097 -2.853 1.00 0.00 C ATOM 347 CE1 PHE A 24 69.758 3.507 -4.044 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.208 1.642 -4.055 1.00 0.00 C ATOM 349 CZ PHE A 24 69.261 2.345 -4.650 1.00 0.00 C ATOM 0 H PHE A 24 67.957 6.506 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 24 65.967 4.711 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.355 4.031 -0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.004 2.934 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 24 69.586 4.856 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.844 1.552 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 24 70.570 4.051 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.823 0.748 -4.523 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.691 1.992 -5.576 1.00 0.00 H new ATOM 359 N GLN A 25 64.584 4.641 0.066 1.00 0.00 N ATOM 360 CA GLN A 25 63.691 4.796 1.213 1.00 0.00 C ATOM 361 C GLN A 25 62.918 3.502 1.448 1.00 0.00 C ATOM 362 O GLN A 25 62.192 3.035 0.570 1.00 0.00 O ATOM 363 CB GLN A 25 62.722 5.958 0.972 1.00 0.00 C ATOM 364 CG GLN A 25 62.207 5.920 -0.471 1.00 0.00 C ATOM 365 CD GLN A 25 61.224 7.063 -0.695 1.00 0.00 C ATOM 366 OE1 GLN A 25 61.221 8.037 0.060 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.385 7.007 -1.693 1.00 0.00 N ATOM 0 H GLN A 25 64.197 4.087 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 25 64.286 5.016 2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.885 5.895 1.667 1.00 0.00 H new ATOM 0 HB3 GLN A 25 63.224 6.907 1.163 1.00 0.00 H new ATOM 0 HG2 GLN A 25 63.041 6.003 -1.168 1.00 0.00 H new ATOM 0 HG3 GLN A 25 61.720 4.965 -0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 25 60.388 6.200 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 25 59.726 7.770 -1.849 1.00 0.00 H new ATOM 376 N CYS A 26 63.090 2.914 2.634 1.00 0.00 N ATOM 377 CA CYS A 26 62.406 1.658 2.957 1.00 0.00 C ATOM 378 C CYS A 26 62.119 1.559 4.457 1.00 0.00 C ATOM 379 O CYS A 26 62.782 2.195 5.273 1.00 0.00 O ATOM 380 CB CYS A 26 63.276 0.469 2.512 1.00 0.00 C ATOM 381 SG CYS A 26 65.021 0.873 2.773 1.00 0.00 S ATOM 0 H CYS A 26 63.687 3.279 3.376 1.00 0.00 H new ATOM 0 HA CYS A 26 61.454 1.636 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 26 63.009 -0.424 3.078 1.00 0.00 H new ATOM 0 HB3 CYS A 26 63.096 0.245 1.460 1.00 0.00 H new ATOM 0 HG CYS A 26 65.759 -0.130 2.400 1.00 0.00 H new ATOM 387 N ARG A 27 61.132 0.733 4.803 1.00 0.00 N ATOM 388 CA ARG A 27 60.752 0.521 6.205 1.00 0.00 C ATOM 389 C ARG A 27 61.371 -0.771 6.710 1.00 0.00 C ATOM 390 O ARG A 27 61.487 -1.738 5.962 1.00 0.00 O ATOM 391 CB ARG A 27 59.228 0.435 6.330 1.00 0.00 C ATOM 392 CG ARG A 27 58.621 1.808 6.054 1.00 0.00 C ATOM 393 CD ARG A 27 57.099 1.723 6.147 1.00 0.00 C ATOM 394 NE ARG A 27 56.502 3.006 5.791 1.00 0.00 N ATOM 395 CZ ARG A 27 56.370 3.984 6.684 1.00 0.00 C ATOM 396 NH1 ARG A 27 56.226 3.705 7.952 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 56.386 5.227 6.286 1.00 0.00 N ATOM 0 H ARG A 27 60.579 0.198 4.133 1.00 0.00 H new ATOM 0 HA ARG A 27 61.114 1.360 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 27 58.835 -0.298 5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.952 0.097 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 27 58.999 2.535 6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 27 58.916 2.155 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 27 56.729 0.944 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.804 1.444 7.158 1.00 0.00 H new ATOM 0 HE ARG A 27 56.178 3.157 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 27 56.214 2.733 8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 27 56.125 4.459 8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 27 56.499 5.444 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 27 56.285 5.981 6.965 1.00 0.00 H new ATOM 411 N LEU A 28 61.794 -0.789 7.974 1.00 0.00 N ATOM 412 CA LEU A 28 62.420 -1.989 8.524 1.00 0.00 C ATOM 413 C LEU A 28 62.078 -2.175 10.004 1.00 0.00 C ATOM 414 O LEU A 28 62.731 -1.601 10.875 1.00 0.00 O ATOM 415 CB LEU A 28 63.939 -1.867 8.337 1.00 0.00 C ATOM 416 CG LEU A 28 64.578 -3.250 8.198 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.075 -3.098 7.900 1.00 0.00 C ATOM 418 CD2 LEU A 28 64.381 -4.042 9.496 1.00 0.00 C ATOM 0 H LEU A 28 61.717 -0.006 8.623 1.00 0.00 H new ATOM 0 HA LEU A 28 62.041 -2.865 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.155 -1.270 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.375 -1.343 9.188 1.00 0.00 H new ATOM 0 HG LEU A 28 64.103 -3.787 7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.528 -4.084 7.801 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.207 -2.544 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.555 -2.558 8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.837 -5.027 9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.850 -3.508 10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.315 -4.155 9.695 1.00 0.00 H new ATOM 430 N SER A 29 61.065 -2.993 10.285 1.00 0.00 N ATOM 431 CA SER A 29 60.661 -3.245 11.667 1.00 0.00 C ATOM 432 C SER A 29 61.816 -3.851 12.451 1.00 0.00 C ATOM 433 O SER A 29 62.754 -4.404 11.869 1.00 0.00 O ATOM 434 CB SER A 29 59.474 -4.208 11.717 1.00 0.00 C ATOM 435 OG SER A 29 59.962 -5.545 11.717 1.00 0.00 O ATOM 0 H SER A 29 60.514 -3.488 9.583 1.00 0.00 H new ATOM 0 HA SER A 29 60.372 -2.292 12.110 1.00 0.00 H new ATOM 0 HB2 SER A 29 58.878 -4.025 12.611 1.00 0.00 H new ATOM 0 HB3 SER A 29 58.821 -4.046 10.860 1.00 0.00 H new ATOM 0 HG SER A 29 59.207 -6.169 11.750 1.00 0.00 H new ATOM 441 N ARG A 30 61.731 -3.739 13.773 1.00 0.00 N ATOM 442 CA ARG A 30 62.769 -4.252 14.659 1.00 0.00 C ATOM 443 C ARG A 30 63.006 -5.742 14.452 1.00 0.00 C ATOM 444 O ARG A 30 62.131 -6.467 13.982 1.00 0.00 O ATOM 445 CB ARG A 30 62.365 -4.001 16.113 1.00 0.00 C ATOM 446 CG ARG A 30 61.125 -4.834 16.466 1.00 0.00 C ATOM 447 CD ARG A 30 60.674 -4.509 17.892 1.00 0.00 C ATOM 448 NE ARG A 30 59.488 -5.289 18.231 1.00 0.00 N ATOM 449 CZ ARG A 30 58.754 -5.002 19.302 1.00 0.00 C ATOM 450 NH1 ARG A 30 57.683 -5.702 19.565 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 59.103 -4.022 20.089 1.00 0.00 N ATOM 0 H ARG A 30 60.950 -3.295 14.256 1.00 0.00 H new ATOM 0 HA ARG A 30 63.696 -3.729 14.425 1.00 0.00 H new ATOM 0 HB2 ARG A 30 63.189 -4.261 16.778 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.156 -2.942 16.263 1.00 0.00 H new ATOM 0 HG2 ARG A 30 60.320 -4.622 15.762 1.00 0.00 H new ATOM 0 HG3 ARG A 30 61.352 -5.897 16.379 1.00 0.00 H new ATOM 0 HD2 ARG A 30 61.477 -4.729 18.595 1.00 0.00 H new ATOM 0 HD3 ARG A 30 60.456 -3.445 17.980 1.00 0.00 H new ATOM 0 HE ARG A 30 59.217 -6.070 17.634 1.00 0.00 H new ATOM 0 HH11 ARG A 30 57.410 -6.468 18.949 1.00 0.00 H new ATOM 0 HH12 ARG A 30 57.119 -5.483 20.386 1.00 0.00 H new ATOM 0 HH21 ARG A 30 59.939 -3.475 19.883 1.00 0.00 H new ATOM 0 HH22 ARG A 30 58.540 -3.802 20.910 1.00 0.00 H new ATOM 465 N ALA A 31 64.208 -6.182 14.823 1.00 0.00 N ATOM 466 CA ALA A 31 64.601 -7.583 14.701 1.00 0.00 C ATOM 467 C ALA A 31 64.479 -8.293 16.041 1.00 0.00 C ATOM 468 O ALA A 31 63.980 -7.729 17.014 1.00 0.00 O ATOM 469 CB ALA A 31 66.042 -7.685 14.203 1.00 0.00 C ATOM 0 H ALA A 31 64.932 -5.580 15.214 1.00 0.00 H new ATOM 0 HA ALA A 31 63.934 -8.062 13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 31 66.324 -8.734 14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 31 66.125 -7.205 13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.707 -7.188 14.909 1.00 0.00 H new ATOM 475 N SER A 32 64.943 -9.539 16.080 1.00 0.00 N ATOM 476 CA SER A 32 64.892 -10.338 17.305 1.00 0.00 C ATOM 477 C SER A 32 66.159 -11.162 17.414 1.00 0.00 C ATOM 478 O SER A 32 66.919 -11.049 18.375 1.00 0.00 O ATOM 479 CB SER A 32 63.678 -11.268 17.271 1.00 0.00 C ATOM 480 OG SER A 32 63.417 -11.744 18.586 1.00 0.00 O ATOM 0 H SER A 32 65.358 -10.018 15.281 1.00 0.00 H new ATOM 0 HA SER A 32 64.807 -9.675 18.166 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.808 -10.737 16.884 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.865 -12.105 16.599 1.00 0.00 H new ATOM 0 HG SER A 32 62.639 -12.339 18.570 1.00 0.00 H new ATOM 486 N GLY A 33 66.381 -11.977 16.397 1.00 0.00 N ATOM 487 CA GLY A 33 67.563 -12.815 16.342 1.00 0.00 C ATOM 488 C GLY A 33 68.732 -12.009 15.801 1.00 0.00 C ATOM 489 O GLY A 33 69.601 -11.571 16.557 1.00 0.00 O ATOM 0 H GLY A 33 65.756 -12.075 15.597 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.799 -13.195 17.336 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.379 -13.680 15.705 1.00 0.00 H new ATOM 493 N GLN A 34 68.741 -11.809 14.484 1.00 0.00 N ATOM 494 CA GLN A 34 69.798 -11.041 13.826 1.00 0.00 C ATOM 495 C GLN A 34 69.208 -9.883 13.024 1.00 0.00 C ATOM 496 O GLN A 34 68.140 -10.010 12.427 1.00 0.00 O ATOM 497 CB GLN A 34 70.604 -11.966 12.911 1.00 0.00 C ATOM 498 CG GLN A 34 71.696 -11.174 12.191 1.00 0.00 C ATOM 499 CD GLN A 34 72.588 -12.126 11.402 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.715 -13.297 11.760 1.00 0.00 O ATOM 501 NE2 GLN A 34 73.206 -11.694 10.340 1.00 0.00 N ATOM 0 H GLN A 34 68.027 -12.169 13.850 1.00 0.00 H new ATOM 0 HA GLN A 34 70.456 -10.622 14.587 1.00 0.00 H new ATOM 0 HB2 GLN A 34 71.052 -12.769 13.497 1.00 0.00 H new ATOM 0 HB3 GLN A 34 69.943 -12.434 12.182 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.245 -10.443 11.520 1.00 0.00 H new ATOM 0 HG3 GLN A 34 72.292 -10.618 12.915 1.00 0.00 H new ATOM 0 HE21 GLN A 34 73.098 -10.723 10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 34 73.798 -12.327 9.802 1.00 0.00 H new ATOM 510 N GLU A 35 69.913 -8.750 13.019 1.00 0.00 N ATOM 511 CA GLU A 35 69.457 -7.562 12.291 1.00 0.00 C ATOM 512 C GLU A 35 70.030 -7.531 10.872 1.00 0.00 C ATOM 513 O GLU A 35 71.149 -7.983 10.633 1.00 0.00 O ATOM 514 CB GLU A 35 69.865 -6.296 13.058 1.00 0.00 C ATOM 515 CG GLU A 35 71.391 -6.164 13.102 1.00 0.00 C ATOM 516 CD GLU A 35 71.775 -4.929 13.910 1.00 0.00 C ATOM 517 OE1 GLU A 35 71.216 -4.745 14.980 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.618 -4.179 13.447 1.00 0.00 O1- ATOM 0 H GLU A 35 70.799 -8.629 13.509 1.00 0.00 H new ATOM 0 HA GLU A 35 68.371 -7.601 12.212 1.00 0.00 H new ATOM 0 HB2 GLU A 35 69.432 -5.418 12.579 1.00 0.00 H new ATOM 0 HB3 GLU A 35 69.468 -6.334 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.830 -7.055 13.550 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.789 -6.087 12.090 1.00 0.00 H new ATOM 525 N ALA A 36 69.246 -7.001 9.931 1.00 0.00 N ATOM 526 CA ALA A 36 69.673 -6.920 8.535 1.00 0.00 C ATOM 527 C ALA A 36 70.759 -5.865 8.346 1.00 0.00 C ATOM 528 O ALA A 36 70.824 -4.883 9.087 1.00 0.00 O ATOM 529 CB ALA A 36 68.479 -6.568 7.648 1.00 0.00 C ATOM 0 H ALA A 36 68.316 -6.623 10.110 1.00 0.00 H new ATOM 0 HA ALA A 36 70.079 -7.892 8.254 1.00 0.00 H new ATOM 0 HB1 ALA A 36 68.803 -6.509 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.713 -7.337 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.068 -5.606 7.955 1.00 0.00 H new ATOM 535 N ARG A 37 71.609 -6.077 7.339 1.00 0.00 N ATOM 536 CA ARG A 37 72.702 -5.147 7.034 1.00 0.00 C ATOM 537 C ARG A 37 72.711 -4.813 5.544 1.00 0.00 C ATOM 538 O ARG A 37 72.293 -5.620 4.717 1.00 0.00 O ATOM 539 CB ARG A 37 74.048 -5.781 7.409 1.00 0.00 C ATOM 540 CG ARG A 37 74.037 -6.252 8.869 1.00 0.00 C ATOM 541 CD ARG A 37 74.092 -5.054 9.819 1.00 0.00 C ATOM 542 NE ARG A 37 75.209 -4.181 9.472 1.00 0.00 N ATOM 543 CZ ARG A 37 75.225 -2.903 9.838 1.00 0.00 C ATOM 544 NH1 ARG A 37 75.882 -2.030 9.128 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 74.583 -2.526 10.908 1.00 0.00 N ATOM 0 H ARG A 37 71.562 -6.886 6.719 1.00 0.00 H new ATOM 0 HA ARG A 37 72.550 -4.235 7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.254 -6.625 6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.850 -5.058 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 37 73.137 -6.836 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 37 74.888 -6.908 9.052 1.00 0.00 H new ATOM 0 HD2 ARG A 37 73.157 -4.497 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 37 74.199 -5.401 10.847 1.00 0.00 H new ATOM 0 HE ARG A 37 75.992 -4.559 8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 37 76.384 -2.327 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 37 75.894 -1.050 9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 37 74.070 -3.211 11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 37 74.594 -1.546 11.191 1.00 0.00 H new ATOM 559 N TRP A 38 73.203 -3.626 5.207 1.00 0.00 N ATOM 560 CA TRP A 38 73.274 -3.211 3.809 1.00 0.00 C ATOM 561 C TRP A 38 74.411 -3.953 3.107 1.00 0.00 C ATOM 562 O TRP A 38 75.133 -4.732 3.730 1.00 0.00 O ATOM 563 CB TRP A 38 73.547 -1.708 3.721 1.00 0.00 C ATOM 564 CG TRP A 38 72.359 -0.917 4.165 1.00 0.00 C ATOM 565 CD1 TRP A 38 72.193 -0.417 5.409 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.195 -0.496 3.393 1.00 0.00 C ATOM 567 NE1 TRP A 38 70.999 0.276 5.455 1.00 0.00 N ATOM 568 CE2 TRP A 38 70.345 0.256 4.239 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.795 -0.692 2.056 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.143 0.795 3.776 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.583 -0.150 1.589 1.00 0.00 C ATOM 572 CH2 TRP A 38 68.761 0.591 2.448 1.00 0.00 C ATOM 0 H TRP A 38 73.555 -2.940 5.874 1.00 0.00 H new ATOM 0 HA TRP A 38 72.323 -3.442 3.329 1.00 0.00 H new ATOM 0 HB2 TRP A 38 74.408 -1.455 4.340 1.00 0.00 H new ATOM 0 HB3 TRP A 38 73.802 -1.441 2.695 1.00 0.00 H new ATOM 0 HD1 TRP A 38 72.881 -0.539 6.232 1.00 0.00 H new ATOM 0 HE1 TRP A 38 70.643 0.746 6.287 1.00 0.00 H new ATOM 0 HE3 TRP A 38 71.422 -1.261 1.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 68.512 1.366 4.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 69.285 -0.306 0.563 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.832 1.004 2.084 1.00 0.00 H new ATOM 583 N ALA A 39 74.575 -3.701 1.813 1.00 0.00 N ATOM 584 CA ALA A 39 75.640 -4.346 1.052 1.00 0.00 C ATOM 585 C ALA A 39 75.921 -3.571 -0.231 1.00 0.00 C ATOM 586 O ALA A 39 75.017 -3.334 -1.026 1.00 0.00 O ATOM 587 CB ALA A 39 75.244 -5.788 0.706 1.00 0.00 C ATOM 0 H ALA A 39 73.991 -3.062 1.273 1.00 0.00 H new ATOM 0 HA ALA A 39 76.542 -4.358 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 39 76.046 -6.259 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 39 75.072 -6.349 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 39 74.332 -5.782 0.109 1.00 0.00 H new ATOM 593 N LEU A 40 77.185 -3.189 -0.438 1.00 0.00 N ATOM 594 CA LEU A 40 77.578 -2.457 -1.647 1.00 0.00 C ATOM 595 C LEU A 40 78.789 -3.128 -2.285 1.00 0.00 C ATOM 596 O LEU A 40 79.867 -3.176 -1.691 1.00 0.00 O ATOM 597 CB LEU A 40 77.919 -0.998 -1.297 1.00 0.00 C ATOM 598 CG LEU A 40 78.352 -0.222 -2.557 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.228 -0.236 -3.607 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.669 1.226 -2.166 1.00 0.00 C ATOM 0 H LEU A 40 77.950 -3.373 0.211 1.00 0.00 H new ATOM 0 HA LEU A 40 76.746 -2.467 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 40 77.052 -0.515 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.718 -0.974 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 40 79.235 -0.696 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.549 0.316 -4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 40 77.002 -1.266 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 40 76.336 0.232 -3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.976 1.783 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 40 77.781 1.689 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.475 1.237 -1.433 1.00 0.00 H new ATOM 612 N GLY A 41 78.609 -3.647 -3.493 1.00 0.00 N ATOM 613 CA GLY A 41 79.702 -4.312 -4.192 1.00 0.00 C ATOM 614 C GLY A 41 80.048 -5.633 -3.514 1.00 0.00 C ATOM 615 O GLY A 41 81.113 -6.203 -3.747 1.00 0.00 O ATOM 0 H GLY A 41 77.727 -3.621 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.421 -4.492 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.579 -3.664 -4.207 1.00 0.00 H new ATOM 619 N GLY A 42 79.133 -6.115 -2.676 1.00 0.00 N ATOM 620 CA GLY A 42 79.335 -7.376 -1.963 1.00 0.00 C ATOM 621 C GLY A 42 79.954 -7.145 -0.586 1.00 0.00 C ATOM 622 O GLY A 42 79.795 -7.967 0.316 1.00 0.00 O ATOM 0 H GLY A 42 78.246 -5.653 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.380 -7.890 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 42 79.982 -8.028 -2.550 1.00 0.00 H new ATOM 626 N VAL A 43 80.657 -6.022 -0.425 1.00 0.00 N ATOM 627 CA VAL A 43 81.292 -5.701 0.859 1.00 0.00 C ATOM 628 C VAL A 43 80.477 -4.635 1.595 1.00 0.00 C ATOM 629 O VAL A 43 79.831 -3.802 0.959 1.00 0.00 O ATOM 630 CB VAL A 43 82.720 -5.181 0.631 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.656 -6.355 0.321 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.729 -4.193 -0.542 1.00 0.00 C ATOM 0 H VAL A 43 80.801 -5.326 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 43 81.332 -6.608 1.462 1.00 0.00 H new ATOM 0 HB VAL A 43 83.065 -4.674 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.667 -5.981 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.656 -7.052 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.311 -6.868 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.743 -3.826 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.379 -4.696 -1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.071 -3.354 -0.316 1.00 0.00 H new ATOM 642 N PRO A 44 80.498 -4.631 2.910 1.00 0.00 N ATOM 643 CA PRO A 44 79.744 -3.620 3.694 1.00 0.00 C ATOM 644 C PRO A 44 80.112 -2.203 3.248 1.00 0.00 C ATOM 645 O PRO A 44 81.266 -1.925 2.924 1.00 0.00 O ATOM 646 CB PRO A 44 80.156 -3.855 5.169 1.00 0.00 C ATOM 647 CG PRO A 44 81.125 -5.015 5.187 1.00 0.00 C ATOM 648 CD PRO A 44 81.212 -5.592 3.766 1.00 0.00 C ATOM 0 HA PRO A 44 78.668 -3.719 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.620 -2.961 5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.282 -4.075 5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.108 -4.684 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.789 -5.780 5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.249 -5.704 3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.754 -6.580 3.714 1.00 0.00 H new ATOM 656 N LEU A 45 79.122 -1.316 3.237 1.00 0.00 N ATOM 657 CA LEU A 45 79.348 0.071 2.833 1.00 0.00 C ATOM 658 C LEU A 45 79.749 0.921 4.039 1.00 0.00 C ATOM 659 O LEU A 45 79.764 0.439 5.172 1.00 0.00 O ATOM 660 CB LEU A 45 78.082 0.640 2.152 1.00 0.00 C ATOM 661 CG LEU A 45 77.046 1.130 3.180 1.00 0.00 C ATOM 662 CD1 LEU A 45 75.769 1.540 2.444 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.705 0.012 4.170 1.00 0.00 C ATOM 0 H LEU A 45 78.160 -1.529 3.501 1.00 0.00 H new ATOM 0 HA LEU A 45 80.167 0.099 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.362 1.466 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.633 -0.128 1.522 1.00 0.00 H new ATOM 0 HG LEU A 45 77.463 1.977 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.029 1.888 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 45 75.996 2.341 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.371 0.683 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.971 0.375 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.292 -0.840 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.608 -0.296 4.696 1.00 0.00 H new ATOM 675 N GLN A 46 80.069 2.186 3.791 1.00 0.00 N ATOM 676 CA GLN A 46 80.461 3.099 4.864 1.00 0.00 C ATOM 677 C GLN A 46 79.947 4.506 4.557 1.00 0.00 C ATOM 678 O GLN A 46 79.729 4.854 3.397 1.00 0.00 O ATOM 679 CB GLN A 46 81.991 3.098 5.018 1.00 0.00 C ATOM 680 CG GLN A 46 82.404 3.967 6.212 1.00 0.00 C ATOM 681 CD GLN A 46 81.852 3.380 7.507 1.00 0.00 C ATOM 682 OE1 GLN A 46 81.000 4.070 8.215 1.00 0.00 O flip ATOM 683 NE2 GLN A 46 82.203 2.261 7.882 1.00 0.00 N flip ATOM 0 H GLN A 46 80.066 2.604 2.861 1.00 0.00 H new ATOM 0 HA GLN A 46 80.021 2.766 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.349 2.078 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.456 3.475 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 46 83.491 4.030 6.267 1.00 0.00 H new ATOM 0 HG3 GLN A 46 82.033 4.983 6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 46 82.869 1.723 7.328 1.00 0.00 H new ATOM 0 HE22 GLN A 46 81.828 1.872 8.747 1.00 0.00 H new ATOM 692 N ALA A 47 79.732 5.302 5.602 1.00 0.00 N ATOM 693 CA ALA A 47 79.218 6.657 5.426 1.00 0.00 C ATOM 694 C ALA A 47 80.282 7.590 4.857 1.00 0.00 C ATOM 695 O ALA A 47 80.800 8.459 5.559 1.00 0.00 O ATOM 696 CB ALA A 47 78.732 7.209 6.766 1.00 0.00 C ATOM 0 H ALA A 47 79.904 5.035 6.571 1.00 0.00 H new ATOM 0 HA ALA A 47 78.390 6.606 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.350 8.220 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.938 6.572 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.561 7.229 7.473 1.00 0.00 H new ATOM 702 N ASN A 48 80.588 7.420 3.576 1.00 0.00 N ATOM 703 CA ASN A 48 81.574 8.268 2.918 1.00 0.00 C ATOM 704 C ASN A 48 81.068 9.707 2.870 1.00 0.00 C ATOM 705 O ASN A 48 80.000 10.009 3.398 1.00 0.00 O ATOM 706 CB ASN A 48 81.822 7.762 1.499 1.00 0.00 C ATOM 707 CG ASN A 48 82.224 6.293 1.539 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.027 5.892 2.381 1.00 0.00 O ATOM 709 ND2 ASN A 48 81.708 5.461 0.678 1.00 0.00 N ATOM 0 H ASN A 48 80.171 6.708 2.976 1.00 0.00 H new ATOM 0 HA ASN A 48 82.507 8.235 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 48 80.922 7.886 0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 48 82.607 8.351 1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 48 81.970 4.475 0.701 1.00 0.00 H new ATOM 0 HD22 ASN A 48 81.043 5.796 -0.019 1.00 0.00 H new ATOM 716 N GLU A 49 81.834 10.596 2.245 1.00 0.00 N ATOM 717 CA GLU A 49 81.423 11.994 2.155 1.00 0.00 C ATOM 718 C GLU A 49 80.199 12.140 1.250 1.00 0.00 C ATOM 719 O GLU A 49 79.240 12.830 1.596 1.00 0.00 O ATOM 720 CB GLU A 49 82.567 12.855 1.614 1.00 0.00 C ATOM 721 CG GLU A 49 83.770 12.803 2.572 1.00 0.00 C ATOM 722 CD GLU A 49 84.623 11.567 2.292 1.00 0.00 C ATOM 723 OE1 GLU A 49 84.216 10.761 1.473 1.00 0.00 O ATOM 724 OE2 GLU A 49 85.672 11.447 2.904 1.00 0.00 O1- ATOM 0 H GLU A 49 82.726 10.380 1.801 1.00 0.00 H new ATOM 0 HA GLU A 49 81.164 12.334 3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.863 12.500 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 49 82.232 13.885 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.374 13.703 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.420 12.785 3.604 1.00 0.00 H new ATOM 731 N MET A 50 80.242 11.488 0.090 1.00 0.00 N ATOM 732 CA MET A 50 79.132 11.554 -0.861 1.00 0.00 C ATOM 733 C MET A 50 77.894 10.852 -0.305 1.00 0.00 C ATOM 734 O MET A 50 76.768 11.313 -0.495 1.00 0.00 O ATOM 735 CB MET A 50 79.532 10.894 -2.184 1.00 0.00 C ATOM 736 CG MET A 50 80.697 11.663 -2.811 1.00 0.00 C ATOM 737 SD MET A 50 81.118 10.929 -4.415 1.00 0.00 S ATOM 738 CE MET A 50 81.953 9.438 -3.805 1.00 0.00 C ATOM 0 H MET A 50 81.027 10.912 -0.214 1.00 0.00 H new ATOM 0 HA MET A 50 78.897 12.605 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 50 79.819 9.857 -2.012 1.00 0.00 H new ATOM 0 HB3 MET A 50 78.682 10.881 -2.867 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.427 12.711 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 50 81.562 11.635 -2.149 1.00 0.00 H new ATOM 0 HE1 MET A 50 82.562 9.010 -4.602 1.00 0.00 H new ATOM 0 HE2 MET A 50 82.591 9.698 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 50 81.208 8.709 -3.486 1.00 0.00 H new ATOM 748 N ASN A 51 78.114 9.723 0.369 1.00 0.00 N ATOM 749 CA ASN A 51 77.014 8.939 0.937 1.00 0.00 C ATOM 750 C ASN A 51 76.763 9.334 2.392 1.00 0.00 C ATOM 751 O ASN A 51 77.700 9.613 3.136 1.00 0.00 O ATOM 752 CB ASN A 51 77.361 7.448 0.876 1.00 0.00 C ATOM 753 CG ASN A 51 77.561 7.007 -0.571 1.00 0.00 C ATOM 754 OD1 ASN A 51 76.810 6.173 -1.077 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.535 7.520 -1.274 1.00 0.00 N ATOM 0 H ASN A 51 79.041 9.331 0.535 1.00 0.00 H new ATOM 0 HA ASN A 51 76.114 9.138 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.267 7.255 1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.563 6.863 1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.673 7.230 -2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 51 79.157 8.211 -0.855 1.00 0.00 H new ATOM 762 N ASP A 52 75.490 9.348 2.792 1.00 0.00 N ATOM 763 CA ASP A 52 75.114 9.701 4.162 1.00 0.00 C ATOM 764 C ASP A 52 74.064 8.728 4.679 1.00 0.00 C ATOM 765 O ASP A 52 73.127 8.378 3.966 1.00 0.00 O ATOM 766 CB ASP A 52 74.560 11.127 4.203 1.00 0.00 C ATOM 767 CG ASP A 52 75.687 12.127 3.954 1.00 0.00 C ATOM 768 OD1 ASP A 52 75.384 13.272 3.669 1.00 0.00 O ATOM 769 OD2 ASP A 52 76.836 11.730 4.055 1.00 0.00 O1- ATOM 0 H ASP A 52 74.702 9.119 2.186 1.00 0.00 H new ATOM 0 HA ASP A 52 75.999 9.644 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.782 11.247 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.098 11.320 5.171 1.00 0.00 H new ATOM 774 N ILE A 53 74.222 8.288 5.923 1.00 0.00 N ATOM 775 CA ILE A 53 73.282 7.344 6.525 1.00 0.00 C ATOM 776 C ILE A 53 72.432 8.063 7.562 1.00 0.00 C ATOM 777 O ILE A 53 72.960 8.665 8.498 1.00 0.00 O ATOM 778 CB ILE A 53 74.061 6.200 7.190 1.00 0.00 C ATOM 779 CG1 ILE A 53 75.015 5.534 6.169 1.00 0.00 C ATOM 780 CG2 ILE A 53 73.080 5.164 7.746 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.271 4.527 5.273 1.00 0.00 C ATOM 0 H ILE A 53 74.989 8.568 6.534 1.00 0.00 H new ATOM 0 HA ILE A 53 72.632 6.934 5.752 1.00 0.00 H new ATOM 0 HB ILE A 53 74.657 6.605 8.008 1.00 0.00 H new ATOM 0 HG12 ILE A 53 75.478 6.301 5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.819 5.025 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.635 4.353 8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.431 5.636 8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.474 4.764 6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 53 74.972 4.079 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 53 73.830 3.746 5.892 1.00 0.00 H new ATOM 0 HD13 ILE A 53 73.483 5.042 4.723 1.00 0.00 H new ATOM 793 N THR A 54 71.110 8.018 7.380 1.00 0.00 N ATOM 794 CA THR A 54 70.192 8.695 8.300 1.00 0.00 C ATOM 795 C THR A 54 69.079 7.754 8.768 1.00 0.00 C ATOM 796 O THR A 54 68.419 7.100 7.961 1.00 0.00 O ATOM 797 CB THR A 54 69.594 9.912 7.589 1.00 0.00 C ATOM 798 OG1 THR A 54 70.642 10.796 7.216 1.00 0.00 O ATOM 799 CG2 THR A 54 68.627 10.633 8.521 1.00 0.00 C ATOM 0 H THR A 54 70.654 7.525 6.612 1.00 0.00 H new ATOM 0 HA THR A 54 70.744 9.012 9.185 1.00 0.00 H new ATOM 0 HB THR A 54 69.055 9.584 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 54 70.265 11.576 6.759 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.205 11.498 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 54 67.824 9.954 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.159 10.963 9.413 1.00 0.00 H new ATOM 807 N VAL A 55 68.886 7.697 10.090 1.00 0.00 N ATOM 808 CA VAL A 55 67.861 6.843 10.704 1.00 0.00 C ATOM 809 C VAL A 55 66.885 7.686 11.522 1.00 0.00 C ATOM 810 O VAL A 55 67.293 8.591 12.249 1.00 0.00 O ATOM 811 CB VAL A 55 68.525 5.809 11.616 1.00 0.00 C ATOM 812 CG1 VAL A 55 69.267 4.773 10.770 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.521 6.511 12.543 1.00 0.00 C ATOM 0 H VAL A 55 69.431 8.237 10.762 1.00 0.00 H new ATOM 0 HA VAL A 55 67.313 6.334 9.911 1.00 0.00 H new ATOM 0 HB VAL A 55 67.759 5.310 12.210 1.00 0.00 H new ATOM 0 HG11 VAL A 55 69.738 4.039 11.424 1.00 0.00 H new ATOM 0 HG12 VAL A 55 68.561 4.270 10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 55 70.031 5.271 10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.994 5.775 13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 55 70.283 7.011 11.946 1.00 0.00 H new ATOM 0 HG23 VAL A 55 68.995 7.247 13.151 1.00 0.00 H new ATOM 823 N GLU A 56 65.592 7.387 11.396 1.00 0.00 N ATOM 824 CA GLU A 56 64.558 8.125 12.129 1.00 0.00 C ATOM 825 C GLU A 56 63.508 7.164 12.688 1.00 0.00 C ATOM 826 O GLU A 56 63.627 5.947 12.545 1.00 0.00 O ATOM 827 CB GLU A 56 63.888 9.142 11.200 1.00 0.00 C ATOM 828 CG GLU A 56 64.928 10.157 10.706 1.00 0.00 C ATOM 829 CD GLU A 56 65.483 10.960 11.879 1.00 0.00 C ATOM 830 OE1 GLU A 56 64.738 11.199 12.815 1.00 0.00 O ATOM 831 OE2 GLU A 56 66.649 11.320 11.827 1.00 0.00 O1- ATOM 0 H GLU A 56 65.235 6.643 10.797 1.00 0.00 H new ATOM 0 HA GLU A 56 65.028 8.650 12.960 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.434 8.630 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 56 63.085 9.657 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.739 9.638 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.473 10.830 9.979 1.00 0.00 H new ATOM 838 N GLN A 57 62.481 7.719 13.329 1.00 0.00 N ATOM 839 CA GLN A 57 61.419 6.905 13.908 1.00 0.00 C ATOM 840 C GLN A 57 60.873 5.923 12.876 1.00 0.00 C ATOM 841 O GLN A 57 60.999 6.143 11.674 1.00 0.00 O ATOM 842 CB GLN A 57 60.283 7.810 14.395 1.00 0.00 C ATOM 843 CG GLN A 57 59.196 6.963 15.062 1.00 0.00 C ATOM 844 CD GLN A 57 58.150 7.863 15.707 1.00 0.00 C ATOM 845 OE1 GLN A 57 58.393 9.052 15.916 1.00 0.00 O ATOM 846 NE2 GLN A 57 56.993 7.361 16.040 1.00 0.00 N ATOM 0 H GLN A 57 62.364 8.724 13.459 1.00 0.00 H new ATOM 0 HA GLN A 57 61.831 6.344 14.747 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.669 8.545 15.101 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.862 8.364 13.556 1.00 0.00 H new ATOM 0 HG2 GLN A 57 58.724 6.316 14.323 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.642 6.313 15.815 1.00 0.00 H new ATOM 0 HE21 GLN A 57 56.795 6.376 15.865 1.00 0.00 H new ATOM 0 HE22 GLN A 57 56.286 7.954 16.475 1.00 0.00 H new ATOM 855 N GLY A 58 60.260 4.844 13.352 1.00 0.00 N ATOM 856 CA GLY A 58 59.692 3.846 12.455 1.00 0.00 C ATOM 857 C GLY A 58 60.781 3.178 11.633 1.00 0.00 C ATOM 858 O GLY A 58 60.549 2.763 10.498 1.00 0.00 O ATOM 0 H GLY A 58 60.145 4.640 14.345 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.154 3.095 13.033 1.00 0.00 H new ATOM 0 HA3 GLY A 58 58.967 4.317 11.792 1.00 0.00 H new ATOM 862 N THR A 59 61.976 3.083 12.209 1.00 0.00 N ATOM 863 CA THR A 59 63.102 2.473 11.515 1.00 0.00 C ATOM 864 C THR A 59 63.127 2.917 10.058 1.00 0.00 C ATOM 865 O THR A 59 63.412 2.126 9.156 1.00 0.00 O ATOM 866 CB THR A 59 63.000 0.954 11.596 1.00 0.00 C ATOM 867 OG1 THR A 59 61.819 0.533 10.925 1.00 0.00 O ATOM 868 CG2 THR A 59 62.941 0.524 13.064 1.00 0.00 C ATOM 0 H THR A 59 62.187 3.419 13.149 1.00 0.00 H new ATOM 0 HA THR A 59 64.027 2.794 11.994 1.00 0.00 H new ATOM 0 HB THR A 59 63.871 0.499 11.125 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.393 1.305 10.497 1.00 0.00 H new ATOM 0 HG21 THR A 59 62.868 -0.562 13.122 1.00 0.00 H new ATOM 0 HG22 THR A 59 63.844 0.855 13.577 1.00 0.00 H new ATOM 0 HG23 THR A 59 62.069 0.972 13.540 1.00 0.00 H new ATOM 876 N LEU A 60 62.821 4.192 9.843 1.00 0.00 N ATOM 877 CA LEU A 60 62.812 4.754 8.499 1.00 0.00 C ATOM 878 C LEU A 60 64.241 4.883 7.977 1.00 0.00 C ATOM 879 O LEU A 60 65.121 5.398 8.666 1.00 0.00 O ATOM 880 CB LEU A 60 62.138 6.134 8.516 1.00 0.00 C ATOM 881 CG LEU A 60 60.624 5.994 8.766 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.046 7.351 9.180 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.907 5.533 7.486 1.00 0.00 C ATOM 0 H LEU A 60 62.577 4.853 10.580 1.00 0.00 H new ATOM 0 HA LEU A 60 62.252 4.090 7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 60 62.585 6.754 9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.310 6.641 7.566 1.00 0.00 H new ATOM 0 HG LEU A 60 60.473 5.257 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.975 7.252 9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.534 7.691 10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.217 8.077 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.839 5.439 7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 60 60.069 6.265 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.305 4.567 7.174 1.00 0.00 H new ATOM 895 N HIS A 61 64.461 4.414 6.747 1.00 0.00 N ATOM 896 CA HIS A 61 65.785 4.478 6.121 1.00 0.00 C ATOM 897 C HIS A 61 65.794 5.541 5.032 1.00 0.00 C ATOM 898 O HIS A 61 64.861 5.628 4.236 1.00 0.00 O ATOM 899 CB HIS A 61 66.142 3.123 5.508 1.00 0.00 C ATOM 900 CG HIS A 61 66.297 2.098 6.598 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.417 2.048 7.413 1.00 0.00 N ATOM 902 CD2 HIS A 61 65.484 1.074 7.014 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.250 1.024 8.270 1.00 0.00 C ATOM 904 NE2 HIS A 61 66.088 0.395 8.070 1.00 0.00 N ATOM 0 H HIS A 61 63.741 3.986 6.165 1.00 0.00 H new ATOM 0 HA HIS A 61 66.520 4.734 6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 61 65.364 2.812 4.811 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.067 3.204 4.937 1.00 0.00 H new ATOM 0 HD1 HIS A 61 68.222 2.674 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 61 64.522 0.831 6.588 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.968 0.745 9.027 1.00 0.00 H new ATOM 912 N LEU A 62 66.855 6.344 5.007 1.00 0.00 N ATOM 913 CA LEU A 62 66.987 7.407 4.013 1.00 0.00 C ATOM 914 C LEU A 62 68.461 7.584 3.655 1.00 0.00 C ATOM 915 O LEU A 62 69.210 8.266 4.359 1.00 0.00 O ATOM 916 CB LEU A 62 66.407 8.717 4.579 1.00 0.00 C ATOM 917 CG LEU A 62 66.009 9.695 3.452 1.00 0.00 C ATOM 918 CD1 LEU A 62 67.189 9.917 2.499 1.00 0.00 C ATOM 919 CD2 LEU A 62 64.797 9.155 2.664 1.00 0.00 C ATOM 0 H LEU A 62 67.634 6.279 5.662 1.00 0.00 H new ATOM 0 HA LEU A 62 66.435 7.142 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.535 8.494 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.142 9.190 5.230 1.00 0.00 H new ATOM 0 HG LEU A 62 65.734 10.646 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.894 10.608 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 62 68.030 10.335 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 62 67.483 8.965 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 62 64.533 9.859 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.051 8.192 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 62 63.950 9.032 3.339 1.00 0.00 H new ATOM 931 N LEU A 63 68.864 6.961 2.550 1.00 0.00 N ATOM 932 CA LEU A 63 70.237 7.040 2.074 1.00 0.00 C ATOM 933 C LEU A 63 70.334 8.124 1.010 1.00 0.00 C ATOM 934 O LEU A 63 69.851 7.948 -0.107 1.00 0.00 O ATOM 935 CB LEU A 63 70.627 5.664 1.516 1.00 0.00 C ATOM 936 CG LEU A 63 72.060 5.650 0.956 1.00 0.00 C ATOM 937 CD1 LEU A 63 73.050 6.196 1.989 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.436 4.200 0.626 1.00 0.00 C ATOM 0 H LEU A 63 68.251 6.392 1.966 1.00 0.00 H new ATOM 0 HA LEU A 63 70.923 7.301 2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.539 4.916 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 63 69.928 5.381 0.729 1.00 0.00 H new ATOM 0 HG LEU A 63 72.103 6.277 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 63 74.057 6.177 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 63 72.782 7.221 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 63 73.017 5.579 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.450 4.169 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 63 72.384 3.595 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 63 71.742 3.804 -0.115 1.00 0.00 H new ATOM 950 N THR A 64 70.946 9.255 1.359 1.00 0.00 N ATOM 951 CA THR A 64 71.072 10.355 0.407 1.00 0.00 C ATOM 952 C THR A 64 72.356 10.211 -0.390 1.00 0.00 C ATOM 953 O THR A 64 73.455 10.311 0.154 1.00 0.00 O ATOM 954 CB THR A 64 71.090 11.700 1.141 1.00 0.00 C ATOM 955 OG1 THR A 64 69.976 11.777 2.020 1.00 0.00 O ATOM 956 CG2 THR A 64 71.019 12.844 0.121 1.00 0.00 C ATOM 0 H THR A 64 71.355 9.431 2.277 1.00 0.00 H new ATOM 0 HA THR A 64 70.215 10.322 -0.266 1.00 0.00 H new ATOM 0 HB THR A 64 72.012 11.785 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.989 12.637 2.490 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.032 13.800 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.876 12.787 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.099 12.759 -0.457 1.00 0.00 H new ATOM 964 N LEU A 65 72.206 9.987 -1.688 1.00 0.00 N ATOM 965 CA LEU A 65 73.360 9.839 -2.581 1.00 0.00 C ATOM 966 C LEU A 65 73.507 11.109 -3.419 1.00 0.00 C ATOM 967 O LEU A 65 72.613 11.457 -4.196 1.00 0.00 O ATOM 968 CB LEU A 65 73.143 8.620 -3.496 1.00 0.00 C ATOM 969 CG LEU A 65 74.471 8.094 -4.088 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.290 9.232 -4.703 1.00 0.00 C ATOM 971 CD2 LEU A 65 75.310 7.389 -3.004 1.00 0.00 C ATOM 0 H LEU A 65 71.301 9.903 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 65 74.268 9.686 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.658 7.824 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 65 72.467 8.892 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 65 74.219 7.378 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.218 8.833 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 65 74.716 9.704 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.520 9.971 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 65 76.240 7.027 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 65 75.536 8.093 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 65 74.748 6.548 -2.599 1.00 0.00 H new ATOM 983 N HIS A 66 74.642 11.791 -3.263 1.00 0.00 N ATOM 984 CA HIS A 66 74.918 13.021 -4.009 1.00 0.00 C ATOM 985 C HIS A 66 76.034 12.785 -5.023 1.00 0.00 C ATOM 986 O HIS A 66 76.953 12.005 -4.775 1.00 0.00 O ATOM 987 CB HIS A 66 75.349 14.134 -3.050 1.00 0.00 C ATOM 988 CG HIS A 66 74.180 14.574 -2.212 1.00 0.00 C ATOM 989 ND1 HIS A 66 73.028 15.100 -2.774 1.00 0.00 N ATOM 990 CD2 HIS A 66 73.978 14.592 -0.855 1.00 0.00 C ATOM 991 CE1 HIS A 66 72.192 15.411 -1.767 1.00 0.00 C ATOM 992 NE2 HIS A 66 72.721 15.122 -0.575 1.00 0.00 N ATOM 0 H HIS A 66 75.388 11.512 -2.625 1.00 0.00 H new ATOM 0 HA HIS A 66 74.007 13.316 -4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 66 76.155 13.779 -2.407 1.00 0.00 H new ATOM 0 HB3 HIS A 66 75.741 14.980 -3.615 1.00 0.00 H new ATOM 0 HD1 HIS A 66 72.847 15.228 -3.770 1.00 0.00 H new ATOM 0 HD2 HIS A 66 74.686 14.247 -0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 66 71.212 15.842 -1.906 1.00 0.00 H new ATOM 1000 N LYS A 67 75.954 13.476 -6.157 1.00 0.00 N ATOM 1001 CA LYS A 67 76.974 13.351 -7.196 1.00 0.00 C ATOM 1002 C LYS A 67 77.159 11.891 -7.608 1.00 0.00 C ATOM 1003 O LYS A 67 78.257 11.346 -7.495 1.00 0.00 O ATOM 1004 CB LYS A 67 78.305 13.881 -6.667 1.00 0.00 C ATOM 1005 CG LYS A 67 78.144 15.345 -6.262 1.00 0.00 C ATOM 1006 CD LYS A 67 79.471 15.861 -5.706 1.00 0.00 C ATOM 1007 CE LYS A 67 79.272 17.256 -5.117 1.00 0.00 C ATOM 1008 NZ LYS A 67 78.733 18.166 -6.162 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.199 14.124 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 67 76.650 13.926 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.630 13.289 -5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 67 79.076 13.787 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 67 77.840 15.941 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 67 77.359 15.443 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.845 15.182 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 67 80.220 15.893 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 67 78.586 17.210 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 67 80.219 17.641 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 78.850 19.153 -5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 79.248 18.015 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 77.723 17.967 -6.308 1.00 0.00 H new ATOM 1022 N VAL A 68 76.092 11.256 -8.074 1.00 0.00 N ATOM 1023 CA VAL A 68 76.180 9.855 -8.476 1.00 0.00 C ATOM 1024 C VAL A 68 77.259 9.648 -9.543 1.00 0.00 C ATOM 1025 O VAL A 68 77.516 10.527 -10.367 1.00 0.00 O ATOM 1026 CB VAL A 68 74.813 9.355 -8.994 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.648 9.662 -10.493 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.705 7.840 -8.785 1.00 0.00 C ATOM 0 H VAL A 68 75.170 11.678 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 68 76.459 9.274 -7.597 1.00 0.00 H new ATOM 0 HB VAL A 68 74.030 9.870 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 68 73.678 9.300 -10.834 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.711 10.738 -10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.439 9.165 -11.055 1.00 0.00 H new ATOM 0 HG21 VAL A 68 73.740 7.490 -9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 68 75.504 7.339 -9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.794 7.612 -7.723 1.00 0.00 H new ATOM 1038 N THR A 69 77.866 8.463 -9.524 1.00 0.00 N ATOM 1039 CA THR A 69 78.903 8.103 -10.490 1.00 0.00 C ATOM 1040 C THR A 69 78.620 6.709 -11.044 1.00 0.00 C ATOM 1041 O THR A 69 77.956 5.901 -10.396 1.00 0.00 O ATOM 1042 CB THR A 69 80.276 8.118 -9.809 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.295 7.156 -8.763 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.553 9.508 -9.231 1.00 0.00 C ATOM 0 H THR A 69 77.656 7.731 -8.845 1.00 0.00 H new ATOM 0 HA THR A 69 78.902 8.826 -11.306 1.00 0.00 H new ATOM 0 HB THR A 69 81.045 7.875 -10.543 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.173 7.163 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.530 9.513 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.541 10.245 -10.034 1.00 0.00 H new ATOM 0 HG23 THR A 69 79.785 9.757 -8.499 1.00 0.00 H new ATOM 1052 N LEU A 70 79.123 6.429 -12.239 1.00 0.00 N ATOM 1053 CA LEU A 70 78.907 5.124 -12.854 1.00 0.00 C ATOM 1054 C LEU A 70 79.495 4.038 -11.966 1.00 0.00 C ATOM 1055 O LEU A 70 79.067 2.885 -12.003 1.00 0.00 O ATOM 1056 CB LEU A 70 79.559 5.078 -14.240 1.00 0.00 C ATOM 1057 CG LEU A 70 78.894 6.115 -15.154 1.00 0.00 C ATOM 1058 CD1 LEU A 70 79.674 6.215 -16.469 1.00 0.00 C ATOM 1059 CD2 LEU A 70 77.437 5.716 -15.451 1.00 0.00 C ATOM 0 H LEU A 70 79.677 7.079 -12.797 1.00 0.00 H new ATOM 0 HA LEU A 70 77.836 4.956 -12.967 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.627 5.282 -14.158 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.457 4.081 -14.669 1.00 0.00 H new ATOM 0 HG LEU A 70 78.898 7.081 -14.649 1.00 0.00 H new ATOM 0 HD11 LEU A 70 79.201 6.952 -17.118 1.00 0.00 H new ATOM 0 HD12 LEU A 70 80.700 6.520 -16.261 1.00 0.00 H new ATOM 0 HD13 LEU A 70 79.677 5.244 -16.965 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.980 6.463 -16.101 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.419 4.745 -15.946 1.00 0.00 H new ATOM 0 HD23 LEU A 70 76.878 5.657 -14.517 1.00 0.00 H new ATOM 1071 N GLU A 71 80.474 4.428 -11.160 1.00 0.00 N ATOM 1072 CA GLU A 71 81.122 3.498 -10.245 1.00 0.00 C ATOM 1073 C GLU A 71 80.150 3.081 -9.143 1.00 0.00 C ATOM 1074 O GLU A 71 80.158 1.935 -8.692 1.00 0.00 O ATOM 1075 CB GLU A 71 82.359 4.162 -9.629 1.00 0.00 C ATOM 1076 CG GLU A 71 83.123 3.159 -8.758 1.00 0.00 C ATOM 1077 CD GLU A 71 83.761 2.080 -9.629 1.00 0.00 C ATOM 1078 OE1 GLU A 71 83.739 2.229 -10.840 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.259 1.117 -9.070 1.00 0.00 O1- ATOM 0 H GLU A 71 80.836 5.381 -11.121 1.00 0.00 H new ATOM 0 HA GLU A 71 81.428 2.609 -10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 71 83.010 4.538 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.058 5.020 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.893 3.676 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.444 2.701 -8.038 1.00 0.00 H new ATOM 1086 N ASP A 72 79.313 4.023 -8.717 1.00 0.00 N ATOM 1087 CA ASP A 72 78.336 3.748 -7.670 1.00 0.00 C ATOM 1088 C ASP A 72 77.367 2.666 -8.131 1.00 0.00 C ATOM 1089 O ASP A 72 77.015 1.766 -7.368 1.00 0.00 O ATOM 1090 CB ASP A 72 77.568 5.025 -7.325 1.00 0.00 C ATOM 1091 CG ASP A 72 76.566 4.754 -6.207 1.00 0.00 C ATOM 1092 OD1 ASP A 72 75.962 5.705 -5.738 1.00 0.00 O ATOM 1093 OD2 ASP A 72 76.419 3.601 -5.837 1.00 0.00 O1- ATOM 0 H ASP A 72 79.292 4.977 -9.078 1.00 0.00 H new ATOM 0 HA ASP A 72 78.860 3.397 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 72 78.265 5.805 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.047 5.394 -8.208 1.00 0.00 H new ATOM 1098 N ALA A 73 76.953 2.751 -9.390 1.00 0.00 N ATOM 1099 CA ALA A 73 76.045 1.763 -9.949 1.00 0.00 C ATOM 1100 C ALA A 73 76.671 0.381 -9.842 1.00 0.00 C ATOM 1101 O ALA A 73 77.877 0.224 -10.028 1.00 0.00 O ATOM 1102 CB ALA A 73 75.769 2.079 -11.420 1.00 0.00 C ATOM 0 H ALA A 73 77.230 3.489 -10.037 1.00 0.00 H new ATOM 0 HA ALA A 73 75.107 1.788 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 73 75.088 1.334 -11.831 1.00 0.00 H new ATOM 0 HB2 ALA A 73 75.317 3.068 -11.501 1.00 0.00 H new ATOM 0 HB3 ALA A 73 76.705 2.061 -11.978 1.00 0.00 H new ATOM 1108 N GLY A 74 75.856 -0.616 -9.540 1.00 0.00 N ATOM 1109 CA GLY A 74 76.371 -1.970 -9.412 1.00 0.00 C ATOM 1110 C GLY A 74 75.318 -2.924 -8.874 1.00 0.00 C ATOM 1111 O GLY A 74 74.474 -3.418 -9.621 1.00 0.00 O ATOM 0 H GLY A 74 74.853 -0.518 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.717 -2.321 -10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.235 -1.969 -8.747 1.00 0.00 H new ATOM 1115 N THR A 75 75.384 -3.202 -7.576 1.00 0.00 N ATOM 1116 CA THR A 75 74.437 -4.127 -6.966 1.00 0.00 C ATOM 1117 C THR A 75 74.341 -3.927 -5.455 1.00 0.00 C ATOM 1118 O THR A 75 75.311 -4.143 -4.725 1.00 0.00 O ATOM 1119 CB THR A 75 74.885 -5.564 -7.254 1.00 0.00 C ATOM 1120 OG1 THR A 75 75.077 -5.727 -8.653 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.821 -6.547 -6.764 1.00 0.00 C ATOM 0 H THR A 75 76.072 -2.807 -6.935 1.00 0.00 H new ATOM 0 HA THR A 75 73.453 -3.934 -7.394 1.00 0.00 H new ATOM 0 HB THR A 75 75.821 -5.762 -6.732 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.531 -5.072 -9.137 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.145 -7.567 -6.971 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.678 -6.423 -5.691 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.881 -6.353 -7.280 1.00 0.00 H new ATOM 1129 N VAL A 76 73.149 -3.542 -4.989 1.00 0.00 N ATOM 1130 CA VAL A 76 72.911 -3.346 -3.557 1.00 0.00 C ATOM 1131 C VAL A 76 72.041 -4.494 -3.051 1.00 0.00 C ATOM 1132 O VAL A 76 71.011 -4.804 -3.648 1.00 0.00 O ATOM 1133 CB VAL A 76 72.193 -2.012 -3.315 1.00 0.00 C ATOM 1134 CG1 VAL A 76 71.829 -1.874 -1.833 1.00 0.00 C ATOM 1135 CG2 VAL A 76 73.108 -0.857 -3.726 1.00 0.00 C ATOM 0 H VAL A 76 72.338 -3.361 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 76 73.863 -3.328 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 76 71.280 -1.985 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.320 -0.924 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.171 -2.693 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 76 72.737 -1.907 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.597 0.091 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.023 -0.889 -3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 76 73.357 -0.948 -4.783 1.00 0.00 H new ATOM 1145 N SER A 77 72.462 -5.141 -1.964 1.00 0.00 N ATOM 1146 CA SER A 77 71.705 -6.274 -1.416 1.00 0.00 C ATOM 1147 C SER A 77 71.649 -6.216 0.109 1.00 0.00 C ATOM 1148 O SER A 77 72.209 -5.310 0.729 1.00 0.00 O ATOM 1149 CB SER A 77 72.354 -7.585 -1.858 1.00 0.00 C ATOM 1150 OG SER A 77 72.176 -7.748 -3.259 1.00 0.00 O ATOM 0 H SER A 77 73.311 -4.907 -1.449 1.00 0.00 H new ATOM 0 HA SER A 77 70.685 -6.219 -1.796 1.00 0.00 H new ATOM 0 HB2 SER A 77 73.416 -7.579 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 77 71.908 -8.423 -1.323 1.00 0.00 H new ATOM 0 HG SER A 77 72.593 -8.587 -3.546 1.00 0.00 H new ATOM 1156 N PHE A 78 70.958 -7.193 0.705 1.00 0.00 N ATOM 1157 CA PHE A 78 70.809 -7.262 2.162 1.00 0.00 C ATOM 1158 C PHE A 78 71.195 -8.641 2.689 1.00 0.00 C ATOM 1159 O PHE A 78 70.863 -9.663 2.087 1.00 0.00 O ATOM 1160 CB PHE A 78 69.350 -7.008 2.543 1.00 0.00 C ATOM 1161 CG PHE A 78 68.940 -5.612 2.153 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.220 -5.401 0.971 1.00 0.00 C ATOM 1163 CD2 PHE A 78 69.263 -4.529 2.977 1.00 0.00 C ATOM 1164 CE1 PHE A 78 67.824 -4.109 0.613 1.00 0.00 C ATOM 1165 CE2 PHE A 78 68.870 -3.236 2.617 1.00 0.00 C ATOM 1166 CZ PHE A 78 68.149 -3.027 1.436 1.00 0.00 C ATOM 0 H PHE A 78 70.493 -7.947 0.200 1.00 0.00 H new ATOM 0 HA PHE A 78 71.464 -6.508 2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 78 68.706 -7.735 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 78 69.219 -7.146 3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 78 67.970 -6.237 0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 78 69.816 -4.691 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 78 67.268 -3.947 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.123 -2.399 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.843 -2.029 1.160 1.00 0.00 H new ATOM 1176 N HIS A 79 71.863 -8.659 3.843 1.00 0.00 N ATOM 1177 CA HIS A 79 72.262 -9.911 4.488 1.00 0.00 C ATOM 1178 C HIS A 79 71.561 -10.019 5.836 1.00 0.00 C ATOM 1179 O HIS A 79 71.948 -9.360 6.802 1.00 0.00 O ATOM 1180 CB HIS A 79 73.779 -9.940 4.688 1.00 0.00 C ATOM 1181 CG HIS A 79 74.180 -11.244 5.328 1.00 0.00 C ATOM 1182 ND1 HIS A 79 73.968 -11.501 6.673 1.00 0.00 N ATOM 1183 CD2 HIS A 79 74.786 -12.368 4.822 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.440 -12.735 6.930 1.00 0.00 C ATOM 1185 NE2 HIS A 79 74.949 -13.308 5.837 1.00 0.00 N ATOM 0 H HIS A 79 72.140 -7.819 4.351 1.00 0.00 H new ATOM 0 HA HIS A 79 71.978 -10.752 3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 79 74.285 -9.823 3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 79 74.089 -9.105 5.316 1.00 0.00 H new ATOM 0 HD1 HIS A 79 73.533 -10.870 7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 79 75.090 -12.502 3.794 1.00 0.00 H new ATOM 0 HE1 HIS A 79 74.411 -13.204 7.902 1.00 0.00 H new ATOM 1193 N VAL A 80 70.510 -10.837 5.890 1.00 0.00 N ATOM 1194 CA VAL A 80 69.733 -11.017 7.121 1.00 0.00 C ATOM 1195 C VAL A 80 69.791 -12.474 7.574 1.00 0.00 C ATOM 1196 O VAL A 80 69.640 -13.392 6.769 1.00 0.00 O ATOM 1197 CB VAL A 80 68.273 -10.596 6.883 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.604 -10.229 8.213 1.00 0.00 C ATOM 1199 CG2 VAL A 80 68.238 -9.395 5.932 1.00 0.00 C ATOM 0 H VAL A 80 70.176 -11.386 5.098 1.00 0.00 H new ATOM 0 HA VAL A 80 70.161 -10.391 7.904 1.00 0.00 H new ATOM 0 HB VAL A 80 67.729 -11.428 6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.571 -9.933 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.622 -11.091 8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.143 -9.402 8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 80 67.204 -9.095 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.788 -8.565 6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.697 -9.670 4.982 1.00 0.00 H new ATOM 1209 N GLY A 81 70.024 -12.681 8.861 1.00 0.00 N ATOM 1210 CA GLY A 81 70.112 -14.031 9.404 1.00 0.00 C ATOM 1211 C GLY A 81 68.812 -14.813 9.202 1.00 0.00 C ATOM 1212 O GLY A 81 68.820 -16.045 9.205 1.00 0.00 O ATOM 0 H GLY A 81 70.155 -11.937 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.934 -14.563 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 81 70.344 -13.980 10.468 1.00 0.00 H new ATOM 1216 N THR A 82 67.689 -14.103 9.052 1.00 0.00 N ATOM 1217 CA THR A 82 66.388 -14.766 8.878 1.00 0.00 C ATOM 1218 C THR A 82 65.967 -14.832 7.409 1.00 0.00 C ATOM 1219 O THR A 82 65.144 -15.668 7.036 1.00 0.00 O ATOM 1220 CB THR A 82 65.324 -14.008 9.673 1.00 0.00 C ATOM 1221 OG1 THR A 82 65.125 -12.728 9.090 1.00 0.00 O ATOM 1222 CG2 THR A 82 65.794 -13.845 11.117 1.00 0.00 C ATOM 0 H THR A 82 67.651 -13.084 9.047 1.00 0.00 H new ATOM 0 HA THR A 82 66.486 -15.789 9.243 1.00 0.00 H new ATOM 0 HB THR A 82 64.387 -14.564 9.656 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.199 -12.442 9.237 1.00 0.00 H new ATOM 0 HG21 THR A 82 65.038 -13.305 11.687 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.951 -14.828 11.562 1.00 0.00 H new ATOM 0 HG23 THR A 82 66.729 -13.286 11.134 1.00 0.00 H new ATOM 1230 N CYS A 83 66.525 -13.954 6.580 1.00 0.00 N ATOM 1231 CA CYS A 83 66.180 -13.936 5.154 1.00 0.00 C ATOM 1232 C CYS A 83 67.317 -13.353 4.318 1.00 0.00 C ATOM 1233 O CYS A 83 68.371 -12.998 4.841 1.00 0.00 O ATOM 1234 CB CYS A 83 64.918 -13.096 4.937 1.00 0.00 C ATOM 1235 SG CYS A 83 65.278 -11.361 5.317 1.00 0.00 S ATOM 0 H CYS A 83 67.210 -13.253 6.862 1.00 0.00 H new ATOM 0 HA CYS A 83 66.006 -14.964 4.837 1.00 0.00 H new ATOM 0 HB2 CYS A 83 64.577 -13.191 3.906 1.00 0.00 H new ATOM 0 HB3 CYS A 83 64.112 -13.460 5.574 1.00 0.00 H new ATOM 0 HG CYS A 83 64.200 -10.779 5.751 1.00 0.00 H new ATOM 1241 N SER A 84 67.090 -13.249 3.011 1.00 0.00 N ATOM 1242 CA SER A 84 68.088 -12.696 2.098 1.00 0.00 C ATOM 1243 C SER A 84 67.386 -11.997 0.938 1.00 0.00 C ATOM 1244 O SER A 84 66.272 -12.369 0.567 1.00 0.00 O ATOM 1245 CB SER A 84 68.999 -13.803 1.568 1.00 0.00 C ATOM 1246 OG SER A 84 70.023 -13.223 0.770 1.00 0.00 O ATOM 0 H SER A 84 66.223 -13.541 2.560 1.00 0.00 H new ATOM 0 HA SER A 84 68.701 -11.974 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.438 -14.358 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.421 -14.515 0.979 1.00 0.00 H new ATOM 0 HG SER A 84 70.611 -13.929 0.429 1.00 0.00 H new ATOM 1252 N SER A 85 68.027 -10.975 0.378 1.00 0.00 N ATOM 1253 CA SER A 85 67.427 -10.229 -0.729 1.00 0.00 C ATOM 1254 C SER A 85 68.501 -9.585 -1.594 1.00 0.00 C ATOM 1255 O SER A 85 69.673 -9.544 -1.221 1.00 0.00 O ATOM 1256 CB SER A 85 66.496 -9.149 -0.179 1.00 0.00 C ATOM 1257 OG SER A 85 65.476 -9.762 0.598 1.00 0.00 O ATOM 0 H SER A 85 68.949 -10.646 0.666 1.00 0.00 H new ATOM 0 HA SER A 85 66.858 -10.926 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 85 67.059 -8.443 0.431 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.054 -8.581 -0.998 1.00 0.00 H new ATOM 0 HG SER A 85 64.877 -9.073 0.954 1.00 0.00 H new ATOM 1263 N GLU A 86 68.093 -9.090 -2.761 1.00 0.00 N ATOM 1264 CA GLU A 86 69.033 -8.457 -3.683 1.00 0.00 C ATOM 1265 C GLU A 86 68.351 -7.392 -4.540 1.00 0.00 C ATOM 1266 O GLU A 86 67.136 -7.418 -4.740 1.00 0.00 O ATOM 1267 CB GLU A 86 69.652 -9.521 -4.589 1.00 0.00 C ATOM 1268 CG GLU A 86 68.543 -10.265 -5.338 1.00 0.00 C ATOM 1269 CD GLU A 86 69.152 -11.291 -6.288 1.00 0.00 C ATOM 1270 OE1 GLU A 86 70.361 -11.274 -6.449 1.00 0.00 O ATOM 1271 OE2 GLU A 86 68.401 -12.084 -6.834 1.00 0.00 O1- ATOM 0 H GLU A 86 67.127 -9.114 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 86 69.807 -7.968 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.336 -9.056 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.238 -10.223 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 86 67.883 -10.762 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 86 67.932 -9.556 -5.898 1.00 0.00 H new ATOM 1278 N ALA A 87 69.158 -6.467 -5.054 1.00 0.00 N ATOM 1279 CA ALA A 87 68.661 -5.389 -5.906 1.00 0.00 C ATOM 1280 C ALA A 87 69.767 -4.952 -6.862 1.00 0.00 C ATOM 1281 O ALA A 87 70.945 -4.994 -6.508 1.00 0.00 O ATOM 1282 CB ALA A 87 68.215 -4.201 -5.047 1.00 0.00 C ATOM 0 H ALA A 87 70.165 -6.443 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 87 67.805 -5.747 -6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.847 -3.403 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.420 -4.518 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 87 69.061 -3.835 -4.465 1.00 0.00 H new ATOM 1288 N GLN A 88 69.392 -4.546 -8.077 1.00 0.00 N ATOM 1289 CA GLN A 88 70.377 -4.120 -9.079 1.00 0.00 C ATOM 1290 C GLN A 88 70.197 -2.654 -9.455 1.00 0.00 C ATOM 1291 O GLN A 88 69.092 -2.204 -9.767 1.00 0.00 O ATOM 1292 CB GLN A 88 70.245 -4.983 -10.337 1.00 0.00 C ATOM 1293 CG GLN A 88 70.698 -6.408 -10.019 1.00 0.00 C ATOM 1294 CD GLN A 88 70.555 -7.296 -11.250 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.447 -7.495 -11.748 1.00 0.00 O ATOM 1296 NE2 GLN A 88 71.617 -7.844 -11.770 1.00 0.00 N ATOM 0 H GLN A 88 68.423 -4.503 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 88 71.368 -4.242 -8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 88 69.212 -4.986 -10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.850 -4.567 -11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.736 -6.401 -9.686 1.00 0.00 H new ATOM 0 HG3 GLN A 88 70.103 -6.812 -9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 88 72.533 -7.676 -11.354 1.00 0.00 H new ATOM 0 HE22 GLN A 88 71.532 -8.441 -12.593 1.00 0.00 H new ATOM 1305 N LEU A 89 71.310 -1.921 -9.442 1.00 0.00 N ATOM 1306 CA LEU A 89 71.308 -0.505 -9.803 1.00 0.00 C ATOM 1307 C LEU A 89 71.839 -0.355 -11.227 1.00 0.00 C ATOM 1308 O LEU A 89 72.996 -0.673 -11.504 1.00 0.00 O ATOM 1309 CB LEU A 89 72.205 0.277 -8.835 1.00 0.00 C ATOM 1310 CG LEU A 89 71.465 0.522 -7.512 1.00 0.00 C ATOM 1311 CD1 LEU A 89 71.024 -0.820 -6.898 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.402 1.256 -6.543 1.00 0.00 C ATOM 0 H LEU A 89 72.227 -2.286 -9.184 1.00 0.00 H new ATOM 0 HA LEU A 89 70.293 -0.113 -9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 89 73.124 -0.279 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.493 1.229 -9.282 1.00 0.00 H new ATOM 0 HG LEU A 89 70.579 1.129 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.500 -0.636 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.359 -1.336 -7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 89 71.901 -1.439 -6.709 1.00 0.00 H new ATOM 0 HD21 LEU A 89 71.884 1.434 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.287 0.647 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 89 72.701 2.210 -6.978 1.00 0.00 H new ATOM 1324 N LYS A 90 70.980 0.119 -12.127 1.00 0.00 N ATOM 1325 CA LYS A 90 71.352 0.304 -13.535 1.00 0.00 C ATOM 1326 C LYS A 90 71.194 1.764 -13.945 1.00 0.00 C ATOM 1327 O LYS A 90 70.374 2.490 -13.386 1.00 0.00 O ATOM 1328 CB LYS A 90 70.461 -0.574 -14.427 1.00 0.00 C ATOM 1329 CG LYS A 90 71.099 -0.723 -15.817 1.00 0.00 C ATOM 1330 CD LYS A 90 70.288 -1.711 -16.669 1.00 0.00 C ATOM 1331 CE LYS A 90 68.926 -1.108 -17.033 1.00 0.00 C ATOM 1332 NZ LYS A 90 68.366 -1.823 -18.218 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.019 0.383 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 90 72.396 0.014 -13.657 1.00 0.00 H new ATOM 0 HB2 LYS A 90 70.329 -1.555 -13.971 1.00 0.00 H new ATOM 0 HB3 LYS A 90 69.470 -0.128 -14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 90 71.140 0.247 -16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 90 72.126 -1.074 -15.718 1.00 0.00 H new ATOM 0 HD2 LYS A 90 70.839 -1.956 -17.577 1.00 0.00 H new ATOM 0 HD3 LYS A 90 70.146 -2.643 -16.121 1.00 0.00 H new ATOM 0 HE2 LYS A 90 68.242 -1.191 -16.188 1.00 0.00 H new ATOM 0 HE3 LYS A 90 69.034 -0.046 -17.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 67.442 -1.414 -18.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 69.016 -1.722 -19.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 68.249 -2.831 -17.992 1.00 0.00 H new ATOM 1346 N VAL A 91 71.979 2.184 -14.938 1.00 0.00 N ATOM 1347 CA VAL A 91 71.917 3.558 -15.442 1.00 0.00 C ATOM 1348 C VAL A 91 71.400 3.555 -16.870 1.00 0.00 C ATOM 1349 O VAL A 91 71.809 2.730 -17.687 1.00 0.00 O ATOM 1350 CB VAL A 91 73.296 4.215 -15.411 1.00 0.00 C ATOM 1351 CG1 VAL A 91 73.705 4.491 -13.963 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.318 3.287 -16.069 1.00 0.00 C ATOM 0 H VAL A 91 72.665 1.594 -15.409 1.00 0.00 H new ATOM 0 HA VAL A 91 71.244 4.126 -14.800 1.00 0.00 H new ATOM 0 HB VAL A 91 73.260 5.158 -15.957 1.00 0.00 H new ATOM 0 HG11 VAL A 91 74.689 4.960 -13.946 1.00 0.00 H new ATOM 0 HG12 VAL A 91 72.977 5.158 -13.500 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.740 3.553 -13.410 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.302 3.755 -16.047 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.354 2.342 -15.527 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.028 3.101 -17.103 1.00 0.00 H new ATOM 1362 N THR A 92 70.488 4.467 -17.164 1.00 0.00 N ATOM 1363 CA THR A 92 69.912 4.540 -18.498 1.00 0.00 C ATOM 1364 C THR A 92 70.876 5.198 -19.483 1.00 0.00 C ATOM 1365 O THR A 92 71.447 6.252 -19.204 1.00 0.00 O ATOM 1366 CB THR A 92 68.601 5.326 -18.451 1.00 0.00 C ATOM 1367 OG1 THR A 92 67.743 4.746 -17.479 1.00 0.00 O ATOM 1368 CG2 THR A 92 67.917 5.291 -19.821 1.00 0.00 C ATOM 0 H THR A 92 70.133 5.160 -16.506 1.00 0.00 H new ATOM 0 HA THR A 92 69.719 3.524 -18.842 1.00 0.00 H new ATOM 0 HB THR A 92 68.813 6.362 -18.187 1.00 0.00 H new ATOM 0 HG1 THR A 92 66.902 5.248 -17.444 1.00 0.00 H new ATOM 0 HG21 THR A 92 66.984 5.854 -19.777 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.574 5.737 -20.567 1.00 0.00 H new ATOM 0 HG23 THR A 92 67.705 4.258 -20.095 1.00 0.00 H new