USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 73 CYS SG : rot -160:sc= -0.0683 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.551 K(o=-0.62,f=0.067) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -139:sc= 0.171 (180deg=-0.389) USER MOD Set 2.2: A 38 MET CE :methyl 177:sc= -1.96 (180deg=-2.15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc=-0.00493 X(o=-0.0049,f=-0.17) USER MOD Single : A 11 MET CE :methyl 153:sc= -0.394 (180deg=-1.57!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.41) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0621 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0727 K(o=-0.073,f=-1.1) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 42 CYS SG : rot -84:sc= -1.2 USER MOD Single : A 43 THR OG1 : rot 23:sc= -0.278 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.232 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -101:sc= 0.178 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 180:sc= -0.161 (180deg=-0.161) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.251 15.393 -9.278 1.00 0.00 N ATOM 2 CA GLY A 1 -11.128 15.086 -8.389 1.00 0.00 C ATOM 3 C GLY A 1 -11.324 13.716 -7.776 1.00 0.00 C ATOM 4 O GLY A 1 -11.033 12.703 -8.419 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.114 16.335 -9.698 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.300 14.681 -10.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.137 15.382 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.192 15.115 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.056 15.839 -7.605 1.00 0.00 H new ATOM 8 N SER A 2 -11.865 13.675 -6.561 1.00 0.00 N ATOM 9 CA SER A 2 -12.366 12.466 -5.924 1.00 0.00 C ATOM 10 C SER A 2 -13.826 12.701 -5.556 1.00 0.00 C ATOM 11 O SER A 2 -14.241 13.846 -5.364 1.00 0.00 O ATOM 12 CB SER A 2 -11.569 12.155 -4.654 1.00 0.00 C ATOM 13 OG SER A 2 -10.176 12.310 -4.826 1.00 0.00 O ATOM 0 H SER A 2 -11.969 14.506 -5.979 1.00 0.00 H new ATOM 0 HA SER A 2 -12.265 11.623 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.906 12.810 -3.851 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.779 11.132 -4.341 1.00 0.00 H new ATOM 0 HG SER A 2 -9.717 12.101 -3.986 1.00 0.00 H new ATOM 19 N HIS A 3 -14.577 11.616 -5.407 1.00 0.00 N ATOM 20 CA HIS A 3 -15.888 11.572 -4.787 1.00 0.00 C ATOM 21 C HIS A 3 -15.925 10.226 -4.099 1.00 0.00 C ATOM 22 O HIS A 3 -16.468 9.261 -4.640 1.00 0.00 O ATOM 23 CB HIS A 3 -17.003 11.739 -5.832 1.00 0.00 C ATOM 24 CG HIS A 3 -17.097 13.091 -6.496 1.00 0.00 C ATOM 25 ND1 HIS A 3 -17.138 14.314 -5.865 1.00 0.00 N ATOM 26 CD2 HIS A 3 -17.227 13.318 -7.840 1.00 0.00 C ATOM 27 CE1 HIS A 3 -17.274 15.260 -6.807 1.00 0.00 C ATOM 28 NE2 HIS A 3 -17.345 14.702 -8.031 1.00 0.00 N ATOM 0 H HIS A 3 -14.269 10.700 -5.733 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.055 12.385 -4.081 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -16.862 10.986 -6.607 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -17.958 11.526 -5.351 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.237 12.565 -8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.320 16.321 -6.611 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -17.461 15.189 -8.920 1.00 0.00 H new ATOM 36 N GLU A 4 -15.202 10.132 -2.980 1.00 0.00 N ATOM 37 CA GLU A 4 -14.866 8.843 -2.409 1.00 0.00 C ATOM 38 C GLU A 4 -14.319 8.989 -0.986 1.00 0.00 C ATOM 39 O GLU A 4 -13.832 10.071 -0.628 1.00 0.00 O ATOM 40 CB GLU A 4 -13.781 8.225 -3.301 1.00 0.00 C ATOM 41 CG GLU A 4 -13.884 6.708 -3.334 1.00 0.00 C ATOM 42 CD GLU A 4 -12.825 6.144 -4.270 1.00 0.00 C ATOM 43 OE1 GLU A 4 -11.634 6.485 -4.090 1.00 0.00 O ATOM 44 OE2 GLU A 4 -13.176 5.386 -5.198 1.00 0.00 O ATOM 0 H GLU A 4 -14.844 10.933 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.758 8.219 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.873 8.619 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.797 8.516 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.750 6.303 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.877 6.408 -3.669 1.00 0.00 H new ATOM 51 N GLY A 5 -14.323 7.905 -0.207 1.00 0.00 N ATOM 52 CA GLY A 5 -13.776 7.863 1.142 1.00 0.00 C ATOM 53 C GLY A 5 -13.004 6.581 1.469 1.00 0.00 C ATOM 54 O GLY A 5 -12.447 6.502 2.563 1.00 0.00 O ATOM 0 H GLY A 5 -14.717 7.014 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.113 8.717 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.592 7.974 1.856 1.00 0.00 H new ATOM 58 N GLU A 6 -12.925 5.599 0.568 1.00 0.00 N ATOM 59 CA GLU A 6 -12.358 4.266 0.787 1.00 0.00 C ATOM 60 C GLU A 6 -11.072 4.104 -0.022 1.00 0.00 C ATOM 61 O GLU A 6 -11.122 3.679 -1.181 1.00 0.00 O ATOM 62 CB GLU A 6 -13.342 3.119 0.506 1.00 0.00 C ATOM 63 CG GLU A 6 -14.327 3.369 -0.640 1.00 0.00 C ATOM 64 CD GLU A 6 -15.532 4.150 -0.126 1.00 0.00 C ATOM 65 OE1 GLU A 6 -16.296 3.559 0.674 1.00 0.00 O ATOM 66 OE2 GLU A 6 -15.637 5.367 -0.395 1.00 0.00 O ATOM 0 H GLU A 6 -13.273 5.718 -0.383 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.129 4.195 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.770 2.218 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.910 2.919 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.836 3.925 -1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.652 2.420 -1.066 1.00 0.00 H new ATOM 73 N PRO A 7 -9.917 4.509 0.521 1.00 0.00 N ATOM 74 CA PRO A 7 -8.630 4.221 -0.082 1.00 0.00 C ATOM 75 C PRO A 7 -8.300 2.728 0.101 1.00 0.00 C ATOM 76 O PRO A 7 -7.591 2.366 1.047 1.00 0.00 O ATOM 77 CB PRO A 7 -7.646 5.164 0.624 1.00 0.00 C ATOM 78 CG PRO A 7 -8.260 5.282 2.018 1.00 0.00 C ATOM 79 CD PRO A 7 -9.754 5.297 1.731 1.00 0.00 C ATOM 0 HA PRO A 7 -8.595 4.390 -1.158 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.638 4.751 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.579 6.131 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.979 4.443 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.937 6.191 2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.318 4.868 2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.118 6.315 1.590 1.00 0.00 H new ATOM 87 N VAL A 8 -8.859 1.829 -0.718 1.00 0.00 N ATOM 88 CA VAL A 8 -8.750 0.379 -0.498 1.00 0.00 C ATOM 89 C VAL A 8 -8.444 -0.383 -1.796 1.00 0.00 C ATOM 90 O VAL A 8 -8.744 0.077 -2.899 1.00 0.00 O ATOM 91 CB VAL A 8 -10.015 -0.102 0.251 1.00 0.00 C ATOM 92 CG1 VAL A 8 -11.270 -0.079 -0.627 1.00 0.00 C ATOM 93 CG2 VAL A 8 -9.859 -1.504 0.860 1.00 0.00 C ATOM 0 H VAL A 8 -9.397 2.082 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.891 0.157 0.135 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.138 0.617 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.126 -0.427 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.454 0.939 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.124 -0.732 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.780 -1.783 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.651 -2.224 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.035 -1.501 1.573 1.00 0.00 H new ATOM 103 N VAL A 9 -7.839 -1.571 -1.662 1.00 0.00 N ATOM 104 CA VAL A 9 -7.381 -2.422 -2.755 1.00 0.00 C ATOM 105 C VAL A 9 -8.451 -3.476 -3.079 1.00 0.00 C ATOM 106 O VAL A 9 -8.437 -4.583 -2.539 1.00 0.00 O ATOM 107 CB VAL A 9 -5.956 -2.958 -2.435 1.00 0.00 C ATOM 108 CG1 VAL A 9 -5.798 -3.678 -1.086 1.00 0.00 C ATOM 109 CG2 VAL A 9 -5.397 -3.828 -3.570 1.00 0.00 C ATOM 0 H VAL A 9 -7.650 -1.978 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.263 -1.864 -3.684 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.364 -2.047 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.766 -4.009 -0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.054 -2.994 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.462 -4.542 -1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.401 -4.180 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.053 -4.684 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.340 -3.239 -4.485 1.00 0.00 H new ATOM 119 N GLY A 10 -9.389 -3.145 -3.968 1.00 0.00 N ATOM 120 CA GLY A 10 -10.435 -4.044 -4.432 1.00 0.00 C ATOM 121 C GLY A 10 -10.680 -3.821 -5.921 1.00 0.00 C ATOM 122 O GLY A 10 -11.434 -2.920 -6.288 1.00 0.00 O ATOM 0 H GLY A 10 -9.439 -2.219 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.145 -5.079 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.354 -3.869 -3.872 1.00 0.00 H new ATOM 126 N MET A 11 -10.062 -4.636 -6.784 1.00 0.00 N ATOM 127 CA MET A 11 -10.230 -4.615 -8.246 1.00 0.00 C ATOM 128 C MET A 11 -9.876 -3.269 -8.910 1.00 0.00 C ATOM 129 O MET A 11 -10.236 -3.017 -10.062 1.00 0.00 O ATOM 130 CB MET A 11 -11.625 -5.146 -8.642 1.00 0.00 C ATOM 131 CG MET A 11 -11.805 -6.648 -8.375 1.00 0.00 C ATOM 132 SD MET A 11 -11.394 -7.753 -9.761 1.00 0.00 S ATOM 133 CE MET A 11 -9.579 -7.737 -9.737 1.00 0.00 C ATOM 0 H MET A 11 -9.407 -5.355 -6.475 1.00 0.00 H new ATOM 0 HA MET A 11 -9.486 -5.299 -8.653 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.386 -4.593 -8.091 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.793 -4.950 -9.701 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.187 -6.923 -7.520 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.842 -6.825 -8.089 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.201 -8.669 -10.157 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.215 -6.898 -10.329 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.230 -7.635 -8.710 1.00 0.00 H new ATOM 143 N ASP A 12 -9.136 -2.398 -8.223 1.00 0.00 N ATOM 144 CA ASP A 12 -8.499 -1.208 -8.784 1.00 0.00 C ATOM 145 C ASP A 12 -7.228 -0.943 -7.959 1.00 0.00 C ATOM 146 O ASP A 12 -6.948 -1.661 -6.989 1.00 0.00 O ATOM 147 CB ASP A 12 -9.475 -0.014 -8.789 1.00 0.00 C ATOM 148 CG ASP A 12 -9.112 1.043 -9.842 1.00 0.00 C ATOM 149 OD1 ASP A 12 -8.049 1.689 -9.726 1.00 0.00 O ATOM 150 OD2 ASP A 12 -9.839 1.170 -10.853 1.00 0.00 O ATOM 0 H ASP A 12 -8.958 -2.507 -7.225 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.223 -1.359 -9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.485 -0.377 -8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.481 0.449 -7.802 1.00 0.00 H new ATOM 155 N LYS A 13 -6.432 0.047 -8.354 1.00 0.00 N ATOM 156 CA LYS A 13 -5.185 0.468 -7.740 1.00 0.00 C ATOM 157 C LYS A 13 -5.003 1.975 -7.651 1.00 0.00 C ATOM 158 O LYS A 13 -3.996 2.391 -7.075 1.00 0.00 O ATOM 159 CB LYS A 13 -4.010 -0.202 -8.467 1.00 0.00 C ATOM 160 CG LYS A 13 -3.809 -1.637 -7.926 1.00 0.00 C ATOM 161 CD LYS A 13 -2.317 -1.945 -7.878 1.00 0.00 C ATOM 162 CE LYS A 13 -1.884 -3.134 -7.040 1.00 0.00 C ATOM 163 NZ LYS A 13 -2.462 -3.113 -5.690 1.00 0.00 N ATOM 0 H LYS A 13 -6.662 0.614 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.218 0.140 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.203 -0.232 -9.539 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.101 0.382 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.244 -1.729 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.321 -2.356 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.972 -2.107 -8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.801 -1.061 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.178 -4.055 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.797 -3.145 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.742 -3.406 -4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.785 -2.150 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.269 -3.768 -5.648 1.00 0.00 H new ATOM 177 N SER A 14 -5.948 2.781 -8.130 1.00 0.00 N ATOM 178 CA SER A 14 -5.763 4.218 -8.121 1.00 0.00 C ATOM 179 C SER A 14 -6.093 4.834 -6.751 1.00 0.00 C ATOM 180 O SER A 14 -5.537 5.864 -6.367 1.00 0.00 O ATOM 181 CB SER A 14 -6.630 4.812 -9.244 1.00 0.00 C ATOM 182 OG SER A 14 -6.079 6.010 -9.742 1.00 0.00 O ATOM 0 H SER A 14 -6.834 2.464 -8.522 1.00 0.00 H new ATOM 0 HA SER A 14 -4.714 4.455 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.724 4.089 -10.054 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.635 5.001 -8.868 1.00 0.00 H new ATOM 0 HG SER A 14 -6.652 6.362 -10.455 1.00 0.00 H new ATOM 188 N LEU A 15 -7.009 4.212 -6.007 1.00 0.00 N ATOM 189 CA LEU A 15 -7.731 4.834 -4.904 1.00 0.00 C ATOM 190 C LEU A 15 -6.907 4.785 -3.616 1.00 0.00 C ATOM 191 O LEU A 15 -7.193 3.967 -2.746 1.00 0.00 O ATOM 192 CB LEU A 15 -9.103 4.144 -4.721 1.00 0.00 C ATOM 193 CG LEU A 15 -10.049 4.094 -5.937 1.00 0.00 C ATOM 194 CD1 LEU A 15 -10.038 5.363 -6.790 1.00 0.00 C ATOM 195 CD2 LEU A 15 -9.793 2.886 -6.841 1.00 0.00 C ATOM 0 H LEU A 15 -7.273 3.239 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.901 5.884 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.922 3.120 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.627 4.649 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.037 4.002 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.730 5.247 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.344 6.213 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.032 5.535 -7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.489 2.905 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.771 2.923 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.937 1.968 -6.271 1.00 0.00 H new ATOM 207 N PHE A 16 -5.858 5.605 -3.501 1.00 0.00 N ATOM 208 CA PHE A 16 -5.033 5.691 -2.293 1.00 0.00 C ATOM 209 C PHE A 16 -4.513 7.114 -2.102 1.00 0.00 C ATOM 210 O PHE A 16 -4.630 7.661 -1.004 1.00 0.00 O ATOM 211 CB PHE A 16 -3.866 4.677 -2.304 1.00 0.00 C ATOM 212 CG PHE A 16 -4.268 3.246 -2.568 1.00 0.00 C ATOM 213 CD1 PHE A 16 -4.608 2.846 -3.871 1.00 0.00 C ATOM 214 CD2 PHE A 16 -4.410 2.349 -1.500 1.00 0.00 C ATOM 215 CE1 PHE A 16 -5.231 1.608 -4.075 1.00 0.00 C ATOM 216 CE2 PHE A 16 -4.955 1.071 -1.717 1.00 0.00 C ATOM 217 CZ PHE A 16 -5.395 0.722 -3.005 1.00 0.00 C ATOM 0 H PHE A 16 -5.556 6.231 -4.248 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.670 5.431 -1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.146 4.982 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.355 4.724 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.390 3.489 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.100 2.640 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.585 1.337 -5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.034 0.366 -0.903 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.863 -0.237 -3.170 1.00 0.00 H new ATOM 227 N ALA A 17 -3.935 7.711 -3.151 1.00 0.00 N ATOM 228 CA ALA A 17 -3.443 9.083 -3.154 1.00 0.00 C ATOM 229 C ALA A 17 -4.605 10.073 -3.178 1.00 0.00 C ATOM 230 O ALA A 17 -4.860 10.745 -4.176 1.00 0.00 O ATOM 231 CB ALA A 17 -2.506 9.302 -4.351 1.00 0.00 C ATOM 0 H ALA A 17 -3.795 7.235 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.879 9.257 -2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.143 10.330 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.660 8.618 -4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.049 9.114 -5.277 1.00 0.00 H new ATOM 237 N GLY A 18 -5.311 10.183 -2.061 1.00 0.00 N ATOM 238 CA GLY A 18 -6.391 11.130 -1.872 1.00 0.00 C ATOM 239 C GLY A 18 -6.725 11.265 -0.403 1.00 0.00 C ATOM 240 O GLY A 18 -6.859 12.390 0.080 1.00 0.00 O ATOM 0 H GLY A 18 -5.141 9.599 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.106 12.101 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.272 10.801 -2.423 1.00 0.00 H new ATOM 244 N ASN A 19 -6.835 10.144 0.324 1.00 0.00 N ATOM 245 CA ASN A 19 -7.078 10.228 1.756 1.00 0.00 C ATOM 246 C ASN A 19 -5.741 10.462 2.440 1.00 0.00 C ATOM 247 O ASN A 19 -4.938 9.545 2.556 1.00 0.00 O ATOM 248 CB ASN A 19 -7.767 8.986 2.321 1.00 0.00 C ATOM 249 CG ASN A 19 -8.111 9.222 3.791 1.00 0.00 C ATOM 250 OD1 ASN A 19 -8.706 10.251 4.133 1.00 0.00 O ATOM 251 ND2 ASN A 19 -7.769 8.314 4.680 1.00 0.00 N ATOM 0 H ASN A 19 -6.761 9.198 -0.050 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.764 11.053 1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.673 8.769 1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.115 8.118 2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.994 8.454 5.665 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.279 7.470 4.384 1.00 0.00 H new ATOM 258 N THR A 20 -5.489 11.685 2.879 1.00 0.00 N ATOM 259 CA THR A 20 -4.236 12.129 3.480 1.00 0.00 C ATOM 260 C THR A 20 -3.850 11.385 4.777 1.00 0.00 C ATOM 261 O THR A 20 -2.768 11.625 5.310 1.00 0.00 O ATOM 262 CB THR A 20 -4.336 13.661 3.679 1.00 0.00 C ATOM 263 OG1 THR A 20 -5.615 14.091 4.131 1.00 0.00 O ATOM 264 CG2 THR A 20 -4.065 14.392 2.361 1.00 0.00 C ATOM 0 H THR A 20 -6.182 12.431 2.825 1.00 0.00 H new ATOM 0 HA THR A 20 -3.418 11.882 2.804 1.00 0.00 H new ATOM 0 HB THR A 20 -3.592 13.899 4.439 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.613 15.065 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.140 15.468 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.064 14.146 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.799 14.083 1.616 1.00 0.00 H new ATOM 272 N VAL A 21 -4.696 10.495 5.312 1.00 0.00 N ATOM 273 CA VAL A 21 -4.732 10.178 6.740 1.00 0.00 C ATOM 274 C VAL A 21 -4.821 8.656 6.955 1.00 0.00 C ATOM 275 O VAL A 21 -5.436 8.193 7.920 1.00 0.00 O ATOM 276 CB VAL A 21 -5.885 10.961 7.423 1.00 0.00 C ATOM 277 CG1 VAL A 21 -5.590 11.178 8.915 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.196 12.331 6.801 1.00 0.00 C ATOM 0 H VAL A 21 -5.377 9.973 4.761 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.804 10.498 7.214 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.760 10.329 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.412 11.729 9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.481 10.212 9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.667 11.747 9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.015 12.801 7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.311 12.965 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.483 12.200 5.758 1.00 0.00 H new ATOM 288 N ILE A 22 -4.256 7.859 6.046 1.00 0.00 N ATOM 289 CA ILE A 22 -4.249 6.403 6.115 1.00 0.00 C ATOM 290 C ILE A 22 -2.866 5.934 6.531 1.00 0.00 C ATOM 291 O ILE A 22 -2.002 5.679 5.697 1.00 0.00 O ATOM 292 CB ILE A 22 -4.781 5.787 4.810 1.00 0.00 C ATOM 293 CG1 ILE A 22 -4.684 4.256 4.843 1.00 0.00 C ATOM 294 CG2 ILE A 22 -4.156 6.349 3.514 1.00 0.00 C ATOM 295 CD1 ILE A 22 -5.712 3.623 3.908 1.00 0.00 C ATOM 0 H ILE A 22 -3.779 8.222 5.221 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.938 6.047 6.880 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.828 6.087 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.681 3.945 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.844 3.900 5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.598 5.850 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.349 7.420 3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.080 6.174 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.622 2.538 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.715 3.916 4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.534 3.963 2.888 1.00 0.00 H new ATOM 307 N ARG A 23 -2.643 5.840 7.842 1.00 0.00 N ATOM 308 CA ARG A 23 -1.328 5.508 8.371 1.00 0.00 C ATOM 309 C ARG A 23 -0.941 4.064 8.117 1.00 0.00 C ATOM 310 O ARG A 23 0.237 3.759 8.304 1.00 0.00 O ATOM 311 CB ARG A 23 -1.249 5.870 9.853 1.00 0.00 C ATOM 312 CG ARG A 23 -1.168 7.400 10.005 1.00 0.00 C ATOM 313 CD ARG A 23 -1.171 7.816 11.472 1.00 0.00 C ATOM 314 NE ARG A 23 -2.394 7.356 12.138 1.00 0.00 N ATOM 315 CZ ARG A 23 -2.440 6.802 13.350 1.00 0.00 C ATOM 316 NH1 ARG A 23 -1.455 7.008 14.219 1.00 0.00 N ATOM 317 NH2 ARG A 23 -3.467 6.028 13.661 1.00 0.00 N ATOM 0 H ARG A 23 -3.358 5.990 8.554 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.595 6.107 7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.124 5.488 10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.375 5.402 10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.262 7.767 9.523 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.011 7.863 9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.298 7.400 11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.095 8.901 11.548 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.275 7.468 11.637 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.660 7.592 13.960 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.494 6.582 15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.207 5.863 12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.519 5.596 14.583 1.00 0.00 H new ATOM 331 N GLU A 24 -1.861 3.194 7.688 1.00 0.00 N ATOM 332 CA GLU A 24 -1.608 1.770 7.506 1.00 0.00 C ATOM 333 C GLU A 24 -2.327 1.320 6.240 1.00 0.00 C ATOM 334 O GLU A 24 -3.488 1.669 6.031 1.00 0.00 O ATOM 335 CB GLU A 24 -2.123 0.978 8.729 1.00 0.00 C ATOM 336 CG GLU A 24 -1.150 1.022 9.923 1.00 0.00 C ATOM 337 CD GLU A 24 -1.756 0.629 11.274 1.00 0.00 C ATOM 338 OE1 GLU A 24 -2.898 0.114 11.341 1.00 0.00 O ATOM 339 OE2 GLU A 24 -1.091 0.900 12.300 1.00 0.00 O ATOM 0 H GLU A 24 -2.815 3.468 7.455 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.538 1.585 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.087 1.382 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.289 -0.060 8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.311 0.358 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.745 2.031 10.004 1.00 0.00 H new ATOM 346 N ILE A 25 -1.666 0.522 5.402 1.00 0.00 N ATOM 347 CA ILE A 25 -2.243 -0.039 4.184 1.00 0.00 C ATOM 348 C ILE A 25 -1.949 -1.536 4.208 1.00 0.00 C ATOM 349 O ILE A 25 -0.823 -1.952 3.939 1.00 0.00 O ATOM 350 CB ILE A 25 -1.693 0.692 2.931 1.00 0.00 C ATOM 351 CG1 ILE A 25 -2.138 2.170 2.949 1.00 0.00 C ATOM 352 CG2 ILE A 25 -2.115 -0.019 1.628 1.00 0.00 C ATOM 353 CD1 ILE A 25 -1.722 3.002 1.733 1.00 0.00 C ATOM 0 H ILE A 25 -0.697 0.243 5.555 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.322 0.105 4.135 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.604 0.662 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.224 2.203 3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.734 2.641 3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.712 0.521 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.729 -1.038 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.203 -0.043 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.086 4.023 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.635 3.011 1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.149 2.565 0.830 1.00 0.00 H new ATOM 365 N THR A 26 -2.938 -2.358 4.546 1.00 0.00 N ATOM 366 CA THR A 26 -2.860 -3.782 4.253 1.00 0.00 C ATOM 367 C THR A 26 -3.075 -3.973 2.739 1.00 0.00 C ATOM 368 O THR A 26 -3.831 -3.216 2.114 1.00 0.00 O ATOM 369 CB THR A 26 -3.872 -4.536 5.128 1.00 0.00 C ATOM 370 OG1 THR A 26 -3.674 -4.173 6.488 1.00 0.00 O ATOM 371 CG2 THR A 26 -3.706 -6.053 5.032 1.00 0.00 C ATOM 0 H THR A 26 -3.794 -2.065 5.018 1.00 0.00 H new ATOM 0 HA THR A 26 -1.882 -4.199 4.496 1.00 0.00 H new ATOM 0 HB THR A 26 -4.867 -4.266 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.319 -4.650 7.051 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.444 -6.541 5.669 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.851 -6.370 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.704 -6.331 5.360 1.00 0.00 H new ATOM 379 N VAL A 27 -2.389 -4.962 2.158 1.00 0.00 N ATOM 380 CA VAL A 27 -2.433 -5.343 0.753 1.00 0.00 C ATOM 381 C VAL A 27 -2.360 -6.870 0.675 1.00 0.00 C ATOM 382 O VAL A 27 -1.692 -7.500 1.496 1.00 0.00 O ATOM 383 CB VAL A 27 -1.231 -4.736 -0.008 1.00 0.00 C ATOM 384 CG1 VAL A 27 -1.385 -4.834 -1.530 1.00 0.00 C ATOM 385 CG2 VAL A 27 -0.966 -3.258 0.272 1.00 0.00 C ATOM 0 H VAL A 27 -1.751 -5.551 2.693 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.353 -4.974 0.299 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.402 -5.338 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.513 -4.393 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.470 -5.881 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.282 -4.298 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.105 -2.927 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.841 -2.672 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.763 -3.119 1.334 1.00 0.00 H new ATOM 395 N GLN A 28 -2.977 -7.450 -0.353 1.00 0.00 N ATOM 396 CA GLN A 28 -2.952 -8.876 -0.664 1.00 0.00 C ATOM 397 C GLN A 28 -2.001 -9.174 -1.827 1.00 0.00 C ATOM 398 O GLN A 28 -1.594 -8.250 -2.539 1.00 0.00 O ATOM 399 CB GLN A 28 -4.398 -9.293 -0.987 1.00 0.00 C ATOM 400 CG GLN A 28 -5.265 -9.354 0.282 1.00 0.00 C ATOM 401 CD GLN A 28 -6.650 -8.733 0.129 1.00 0.00 C ATOM 402 OE1 GLN A 28 -7.136 -8.437 -0.958 1.00 0.00 O ATOM 403 NE2 GLN A 28 -7.335 -8.510 1.237 1.00 0.00 N ATOM 0 H GLN A 28 -3.532 -6.914 -1.020 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.576 -9.449 0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.833 -8.585 -1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.396 -10.268 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.378 -10.396 0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.740 -8.846 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.934 -8.755 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.265 -8.093 1.187 1.00 0.00 H new ATOM 412 N PRO A 29 -1.628 -10.444 -2.044 1.00 0.00 N ATOM 413 CA PRO A 29 -0.853 -10.855 -3.205 1.00 0.00 C ATOM 414 C PRO A 29 -1.682 -10.758 -4.491 1.00 0.00 C ATOM 415 O PRO A 29 -2.911 -10.750 -4.460 1.00 0.00 O ATOM 416 CB PRO A 29 -0.416 -12.293 -2.912 1.00 0.00 C ATOM 417 CG PRO A 29 -1.446 -12.817 -1.919 1.00 0.00 C ATOM 418 CD PRO A 29 -1.884 -11.572 -1.165 1.00 0.00 C ATOM 0 HA PRO A 29 0.008 -10.207 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.400 -12.895 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.590 -12.323 -2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.285 -13.294 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.014 -13.560 -1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.941 -11.628 -0.905 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.331 -11.469 -0.232 1.00 0.00 H new ATOM 426 N ASN A 30 -0.979 -10.736 -5.623 1.00 0.00 N ATOM 427 CA ASN A 30 -1.466 -10.899 -6.990 1.00 0.00 C ATOM 428 C ASN A 30 -2.614 -9.955 -7.401 1.00 0.00 C ATOM 429 O ASN A 30 -3.326 -10.249 -8.357 1.00 0.00 O ATOM 430 CB ASN A 30 -1.711 -12.395 -7.267 1.00 0.00 C ATOM 431 CG ASN A 30 -0.400 -13.178 -7.316 1.00 0.00 C ATOM 432 OD1 ASN A 30 0.509 -12.849 -8.077 1.00 0.00 O ATOM 433 ND2 ASN A 30 -0.233 -14.219 -6.519 1.00 0.00 N ATOM 0 H ASN A 30 0.031 -10.591 -5.604 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.681 -10.559 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.354 -12.809 -6.491 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.240 -12.509 -8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.643 -14.741 -6.539 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.980 -14.500 -5.884 1.00 0.00 H new ATOM 440 N ILE A 31 -2.775 -8.791 -6.751 1.00 0.00 N ATOM 441 CA ILE A 31 -3.927 -7.886 -6.924 1.00 0.00 C ATOM 442 C ILE A 31 -3.489 -6.519 -7.488 1.00 0.00 C ATOM 443 O ILE A 31 -3.604 -5.470 -6.848 1.00 0.00 O ATOM 444 CB ILE A 31 -4.775 -7.850 -5.642 1.00 0.00 C ATOM 445 CG1 ILE A 31 -6.029 -6.975 -5.833 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.941 -7.419 -4.433 1.00 0.00 C ATOM 447 CD1 ILE A 31 -7.154 -7.436 -4.913 1.00 0.00 C ATOM 0 H ILE A 31 -2.094 -8.444 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.599 -8.274 -7.690 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.122 -8.863 -5.436 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.786 -5.933 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.358 -7.024 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.571 -7.404 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.122 -8.123 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.536 -6.422 -4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.030 -6.805 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.409 -8.471 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.829 -7.362 -3.875 1.00 0.00 H new ATOM 459 N GLY A 32 -2.950 -6.541 -8.700 1.00 0.00 N ATOM 460 CA GLY A 32 -2.541 -5.412 -9.532 1.00 0.00 C ATOM 461 C GLY A 32 -1.052 -5.090 -9.400 1.00 0.00 C ATOM 462 O GLY A 32 -0.381 -5.533 -8.459 1.00 0.00 O ATOM 0 H GLY A 32 -2.771 -7.429 -9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.770 -5.633 -10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.124 -4.533 -9.257 1.00 0.00 H new ATOM 466 N LEU A 33 -0.510 -4.309 -10.335 1.00 0.00 N ATOM 467 CA LEU A 33 0.865 -3.793 -10.298 1.00 0.00 C ATOM 468 C LEU A 33 0.855 -2.515 -9.466 1.00 0.00 C ATOM 469 O LEU A 33 0.114 -1.593 -9.777 1.00 0.00 O ATOM 470 CB LEU A 33 1.346 -3.473 -11.719 1.00 0.00 C ATOM 471 CG LEU A 33 2.847 -3.123 -11.870 1.00 0.00 C ATOM 472 CD1 LEU A 33 3.444 -2.094 -10.954 1.00 0.00 C ATOM 473 CD2 LEU A 33 3.778 -4.319 -11.866 1.00 0.00 C ATOM 0 H LEU A 33 -1.026 -4.008 -11.162 1.00 0.00 H new ATOM 0 HA LEU A 33 1.536 -4.535 -9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.128 -4.331 -12.356 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.759 -2.637 -12.099 1.00 0.00 H new ATOM 0 HG LEU A 33 2.788 -2.665 -12.857 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.500 -1.966 -11.190 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.925 -1.145 -11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.341 -2.423 -9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.808 -3.979 -11.977 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.673 -4.859 -10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.524 -4.981 -12.694 1.00 0.00 H new ATOM 485 N LEU A 34 1.675 -2.464 -8.429 1.00 0.00 N ATOM 486 CA LEU A 34 1.922 -1.312 -7.569 1.00 0.00 C ATOM 487 C LEU A 34 2.751 -0.292 -8.364 1.00 0.00 C ATOM 488 O LEU A 34 3.971 -0.275 -8.207 1.00 0.00 O ATOM 489 CB LEU A 34 2.682 -1.780 -6.319 1.00 0.00 C ATOM 490 CG LEU A 34 1.873 -2.680 -5.369 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.638 -3.958 -5.016 1.00 0.00 C ATOM 492 CD2 LEU A 34 1.560 -1.920 -4.087 1.00 0.00 C ATOM 0 H LEU A 34 2.222 -3.277 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 34 0.988 -0.847 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.575 -2.320 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.019 -0.903 -5.766 1.00 0.00 H new ATOM 0 HG LEU A 34 0.952 -2.960 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.036 -4.569 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.848 -4.520 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.576 -3.697 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.987 -2.559 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.491 -1.626 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.978 -1.030 -4.325 1.00 0.00 H new ATOM 504 N TYR A 35 2.125 0.444 -9.284 1.00 0.00 N ATOM 505 CA TYR A 35 2.808 1.253 -10.299 1.00 0.00 C ATOM 506 C TYR A 35 3.450 2.495 -9.649 1.00 0.00 C ATOM 507 O TYR A 35 3.593 2.560 -8.424 1.00 0.00 O ATOM 508 CB TYR A 35 1.857 1.532 -11.499 1.00 0.00 C ATOM 509 CG TYR A 35 0.894 2.727 -11.492 1.00 0.00 C ATOM 510 CD1 TYR A 35 -0.239 2.788 -10.657 1.00 0.00 C ATOM 511 CD2 TYR A 35 1.130 3.809 -12.360 1.00 0.00 C ATOM 512 CE1 TYR A 35 -1.074 3.910 -10.609 1.00 0.00 C ATOM 513 CE2 TYR A 35 0.315 4.952 -12.326 1.00 0.00 C ATOM 514 CZ TYR A 35 -0.774 5.022 -11.428 1.00 0.00 C ATOM 515 OH TYR A 35 -1.536 6.144 -11.375 1.00 0.00 O ATOM 0 H TYR A 35 1.108 0.496 -9.347 1.00 0.00 H new ATOM 0 HA TYR A 35 3.644 0.704 -10.733 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.484 1.635 -12.384 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.251 0.637 -11.639 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.471 1.939 -10.032 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.949 3.760 -13.062 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.934 3.926 -9.956 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.521 5.780 -12.988 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.185 6.808 -12.005 1.00 0.00 H new ATOM 525 N ASP A 36 3.855 3.496 -10.431 1.00 0.00 N ATOM 526 CA ASP A 36 4.161 4.806 -9.856 1.00 0.00 C ATOM 527 C ASP A 36 2.897 5.496 -9.337 1.00 0.00 C ATOM 528 O ASP A 36 1.778 5.082 -9.631 1.00 0.00 O ATOM 529 CB ASP A 36 4.923 5.667 -10.860 1.00 0.00 C ATOM 530 CG ASP A 36 4.083 6.075 -12.063 1.00 0.00 C ATOM 531 OD1 ASP A 36 3.939 5.263 -13.005 1.00 0.00 O ATOM 532 OD2 ASP A 36 3.667 7.249 -12.120 1.00 0.00 O ATOM 0 H ASP A 36 3.977 3.429 -11.441 1.00 0.00 H new ATOM 0 HA ASP A 36 4.811 4.661 -8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.286 6.564 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.799 5.119 -11.206 1.00 0.00 H new ATOM 537 N GLY A 37 3.073 6.539 -8.530 1.00 0.00 N ATOM 538 CA GLY A 37 2.019 7.464 -8.134 1.00 0.00 C ATOM 539 C GLY A 37 0.841 6.900 -7.326 1.00 0.00 C ATOM 540 O GLY A 37 -0.142 7.625 -7.172 1.00 0.00 O ATOM 0 H GLY A 37 3.979 6.769 -8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.476 8.262 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.617 7.922 -9.038 1.00 0.00 H new ATOM 544 N MET A 38 0.877 5.664 -6.801 1.00 0.00 N ATOM 545 CA MET A 38 -0.213 5.129 -5.982 1.00 0.00 C ATOM 546 C MET A 38 -0.503 6.030 -4.789 1.00 0.00 C ATOM 547 O MET A 38 -1.658 6.211 -4.421 1.00 0.00 O ATOM 548 CB MET A 38 0.122 3.746 -5.391 1.00 0.00 C ATOM 549 CG MET A 38 -0.942 2.726 -5.751 1.00 0.00 C ATOM 550 SD MET A 38 -0.580 1.073 -5.087 1.00 0.00 S ATOM 551 CE MET A 38 -2.154 0.709 -4.314 1.00 0.00 C ATOM 0 H MET A 38 1.655 5.017 -6.933 1.00 0.00 H new ATOM 0 HA MET A 38 -1.068 5.063 -6.655 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.091 3.413 -5.764 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.206 3.821 -4.307 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.906 3.063 -5.371 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.030 2.666 -6.836 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.131 -0.298 -3.898 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.342 1.427 -3.516 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.949 0.776 -5.057 1.00 0.00 H new ATOM 561 N PHE A 39 0.557 6.505 -4.131 1.00 0.00 N ATOM 562 CA PHE A 39 0.536 6.930 -2.737 1.00 0.00 C ATOM 563 C PHE A 39 0.848 8.422 -2.577 1.00 0.00 C ATOM 564 O PHE A 39 0.960 8.889 -1.444 1.00 0.00 O ATOM 565 CB PHE A 39 1.507 6.045 -1.925 1.00 0.00 C ATOM 566 CG PHE A 39 1.193 4.552 -1.918 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.071 4.102 -1.482 1.00 0.00 C ATOM 568 CD2 PHE A 39 2.150 3.606 -2.346 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.381 2.730 -1.495 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.843 2.235 -2.341 1.00 0.00 C ATOM 571 CZ PHE A 39 0.579 1.794 -1.916 1.00 0.00 C ATOM 0 H PHE A 39 1.474 6.606 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.474 6.800 -2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.513 6.184 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.518 6.400 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.805 4.815 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.122 3.938 -2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.359 2.395 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.582 1.517 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.346 0.740 -1.913 1.00 0.00 H new ATOM 581 N SER A 40 0.975 9.167 -3.675 1.00 0.00 N ATOM 582 CA SER A 40 1.358 10.569 -3.708 1.00 0.00 C ATOM 583 C SER A 40 0.597 11.417 -2.687 1.00 0.00 C ATOM 584 O SER A 40 -0.639 11.446 -2.670 1.00 0.00 O ATOM 585 CB SER A 40 1.155 11.108 -5.126 1.00 0.00 C ATOM 586 OG SER A 40 1.632 10.191 -6.096 1.00 0.00 O ATOM 0 H SER A 40 0.805 8.787 -4.606 1.00 0.00 H new ATOM 0 HA SER A 40 2.410 10.637 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.096 11.303 -5.296 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.676 12.060 -5.234 1.00 0.00 H new ATOM 0 HG SER A 40 1.489 10.559 -6.993 1.00 0.00 H new ATOM 592 N GLY A 41 1.340 12.122 -1.835 1.00 0.00 N ATOM 593 CA GLY A 41 0.762 13.116 -0.941 1.00 0.00 C ATOM 594 C GLY A 41 0.176 12.491 0.321 1.00 0.00 C ATOM 595 O GLY A 41 -0.684 13.083 0.971 1.00 0.00 O ATOM 0 H GLY A 41 2.351 12.019 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.528 13.840 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.019 13.665 -1.468 1.00 0.00 H new ATOM 599 N CYS A 42 0.603 11.278 0.672 1.00 0.00 N ATOM 600 CA CYS A 42 0.208 10.609 1.898 1.00 0.00 C ATOM 601 C CYS A 42 0.849 11.266 3.132 1.00 0.00 C ATOM 602 O CYS A 42 1.762 10.702 3.741 1.00 0.00 O ATOM 603 CB CYS A 42 0.534 9.126 1.816 1.00 0.00 C ATOM 604 SG CYS A 42 2.247 8.816 1.308 1.00 0.00 S ATOM 0 H CYS A 42 1.243 10.729 0.099 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.871 10.713 2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.358 8.665 2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.143 8.647 1.109 1.00 0.00 H new ATOM 0 HG CYS A 42 2.331 8.864 0.012 1.00 0.00 H new ATOM 610 N THR A 43 0.347 12.430 3.538 1.00 0.00 N ATOM 611 CA THR A 43 0.862 13.206 4.662 1.00 0.00 C ATOM 612 C THR A 43 0.814 12.440 5.988 1.00 0.00 C ATOM 613 O THR A 43 1.509 12.835 6.924 1.00 0.00 O ATOM 614 CB THR A 43 0.104 14.541 4.757 1.00 0.00 C ATOM 615 OG1 THR A 43 -1.285 14.328 4.650 1.00 0.00 O ATOM 616 CG2 THR A 43 0.474 15.498 3.627 1.00 0.00 C ATOM 0 H THR A 43 -0.451 12.871 3.081 1.00 0.00 H new ATOM 0 HA THR A 43 1.917 13.403 4.473 1.00 0.00 H new ATOM 0 HB THR A 43 0.379 14.971 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.494 13.402 4.895 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.087 16.426 3.738 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.542 15.713 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.232 15.040 2.668 1.00 0.00 H new ATOM 624 N ALA A 44 0.046 11.349 6.087 1.00 0.00 N ATOM 625 CA ALA A 44 0.208 10.367 7.139 1.00 0.00 C ATOM 626 C ALA A 44 -0.007 8.948 6.600 1.00 0.00 C ATOM 627 O ALA A 44 -1.013 8.328 6.937 1.00 0.00 O ATOM 628 CB ALA A 44 -0.733 10.713 8.298 1.00 0.00 C ATOM 0 H ALA A 44 -0.705 11.131 5.432 1.00 0.00 H new ATOM 0 HA ALA A 44 1.230 10.393 7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.616 9.977 9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.489 11.704 8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.764 10.704 7.945 1.00 0.00 H new ATOM 634 N LEU A 45 0.928 8.419 5.797 1.00 0.00 N ATOM 635 CA LEU A 45 1.091 6.976 5.546 1.00 0.00 C ATOM 636 C LEU A 45 2.437 6.502 6.075 1.00 0.00 C ATOM 637 O LEU A 45 3.475 6.916 5.562 1.00 0.00 O ATOM 638 CB LEU A 45 0.985 6.693 4.052 1.00 0.00 C ATOM 639 CG LEU A 45 1.304 5.276 3.558 1.00 0.00 C ATOM 640 CD1 LEU A 45 0.369 4.227 4.156 1.00 0.00 C ATOM 641 CD2 LEU A 45 1.159 5.302 2.030 1.00 0.00 C ATOM 0 H LEU A 45 1.606 8.991 5.294 1.00 0.00 H new ATOM 0 HA LEU A 45 0.300 6.435 6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.031 6.934 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.650 7.384 3.534 1.00 0.00 H new ATOM 0 HG LEU A 45 2.311 4.997 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.637 3.242 3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.462 4.234 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.660 4.456 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.376 4.313 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.140 5.585 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.857 6.026 1.611 1.00 0.00 H new ATOM 653 N GLU A 46 2.439 5.628 7.084 1.00 0.00 N ATOM 654 CA GLU A 46 3.664 5.176 7.748 1.00 0.00 C ATOM 655 C GLU A 46 3.623 3.675 8.049 1.00 0.00 C ATOM 656 O GLU A 46 4.277 3.223 8.992 1.00 0.00 O ATOM 657 CB GLU A 46 3.914 5.966 9.043 1.00 0.00 C ATOM 658 CG GLU A 46 3.980 7.484 8.846 1.00 0.00 C ATOM 659 CD GLU A 46 4.312 8.189 10.158 1.00 0.00 C ATOM 660 OE1 GLU A 46 5.482 8.138 10.599 1.00 0.00 O ATOM 661 OE2 GLU A 46 3.398 8.803 10.753 1.00 0.00 O ATOM 0 H GLU A 46 1.589 5.213 7.465 1.00 0.00 H new ATOM 0 HA GLU A 46 4.488 5.362 7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.121 5.737 9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.849 5.627 9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.735 7.725 8.098 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.026 7.847 8.465 1.00 0.00 H new ATOM 668 N LYS A 47 2.837 2.878 7.318 1.00 0.00 N ATOM 669 CA LYS A 47 2.903 1.421 7.381 1.00 0.00 C ATOM 670 C LYS A 47 2.292 0.821 6.128 1.00 0.00 C ATOM 671 O LYS A 47 1.350 1.375 5.556 1.00 0.00 O ATOM 672 CB LYS A 47 2.159 0.872 8.619 1.00 0.00 C ATOM 673 CG LYS A 47 3.082 0.553 9.811 1.00 0.00 C ATOM 674 CD LYS A 47 2.859 -0.880 10.325 1.00 0.00 C ATOM 675 CE LYS A 47 4.002 -1.414 11.193 1.00 0.00 C ATOM 676 NZ LYS A 47 4.286 -0.578 12.375 1.00 0.00 N ATOM 0 H LYS A 47 2.136 3.230 6.665 1.00 0.00 H new ATOM 0 HA LYS A 47 3.954 1.141 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.412 1.601 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.621 -0.033 8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.123 0.676 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.897 1.263 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.934 -0.909 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.723 -1.544 9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.756 -2.423 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.904 -1.488 10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.069 -0.997 12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.551 0.379 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.438 -0.526 12.975 1.00 0.00 H new ATOM 690 N LEU A 48 2.767 -0.364 5.767 1.00 0.00 N ATOM 691 CA LEU A 48 2.261 -1.195 4.691 1.00 0.00 C ATOM 692 C LEU A 48 2.352 -2.628 5.207 1.00 0.00 C ATOM 693 O LEU A 48 3.378 -2.988 5.791 1.00 0.00 O ATOM 694 CB LEU A 48 3.128 -0.989 3.434 1.00 0.00 C ATOM 695 CG LEU A 48 2.594 -1.757 2.208 1.00 0.00 C ATOM 696 CD1 LEU A 48 1.526 -0.941 1.477 1.00 0.00 C ATOM 697 CD2 LEU A 48 3.689 -2.106 1.201 1.00 0.00 C ATOM 0 H LEU A 48 3.560 -0.791 6.246 1.00 0.00 H new ATOM 0 HA LEU A 48 1.236 -0.950 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.173 0.075 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.147 -1.313 3.644 1.00 0.00 H new ATOM 0 HG LEU A 48 2.174 -2.682 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.164 -1.503 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.695 -0.740 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.956 0.002 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.252 -2.645 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.157 -1.190 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.440 -2.732 1.683 1.00 0.00 H new ATOM 709 N ILE A 49 1.353 -3.479 4.973 1.00 0.00 N ATOM 710 CA ILE A 49 1.363 -4.883 5.388 1.00 0.00 C ATOM 711 C ILE A 49 0.989 -5.734 4.181 1.00 0.00 C ATOM 712 O ILE A 49 0.071 -5.374 3.444 1.00 0.00 O ATOM 713 CB ILE A 49 0.426 -5.132 6.591 1.00 0.00 C ATOM 714 CG1 ILE A 49 0.703 -4.175 7.774 1.00 0.00 C ATOM 715 CG2 ILE A 49 0.599 -6.583 7.081 1.00 0.00 C ATOM 716 CD1 ILE A 49 -0.213 -2.942 7.793 1.00 0.00 C ATOM 0 H ILE A 49 0.501 -3.209 4.482 1.00 0.00 H new ATOM 0 HA ILE A 49 2.359 -5.160 5.733 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.592 -4.949 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.582 -4.722 8.709 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.741 -3.846 7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.061 -6.761 7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.347 -7.272 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.633 -6.743 7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.038 -2.316 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.075 -2.372 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.252 -3.262 7.869 1.00 0.00 H new ATOM 728 N LEU A 50 1.687 -6.856 3.990 1.00 0.00 N ATOM 729 CA LEU A 50 1.487 -7.766 2.858 1.00 0.00 C ATOM 730 C LEU A 50 0.968 -9.112 3.360 1.00 0.00 C ATOM 731 O LEU A 50 1.675 -9.803 4.091 1.00 0.00 O ATOM 732 CB LEU A 50 2.799 -7.979 2.077 1.00 0.00 C ATOM 733 CG LEU A 50 3.426 -6.739 1.415 1.00 0.00 C ATOM 734 CD1 LEU A 50 4.448 -7.135 0.354 1.00 0.00 C ATOM 735 CD2 LEU A 50 2.414 -5.779 0.787 1.00 0.00 C ATOM 0 H LEU A 50 2.420 -7.164 4.629 1.00 0.00 H new ATOM 0 HA LEU A 50 0.756 -7.316 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.534 -8.407 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.614 -8.721 1.300 1.00 0.00 H new ATOM 0 HG LEU A 50 3.910 -6.208 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.873 -6.237 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.243 -7.721 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.960 -7.730 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.941 -4.934 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.849 -6.300 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.730 -5.418 1.555 1.00 0.00 H new ATOM 747 N THR A 51 -0.241 -9.510 2.960 1.00 0.00 N ATOM 748 CA THR A 51 -0.889 -10.751 3.391 1.00 0.00 C ATOM 749 C THR A 51 -0.526 -11.935 2.470 1.00 0.00 C ATOM 750 O THR A 51 -1.358 -12.815 2.212 1.00 0.00 O ATOM 751 CB THR A 51 -2.411 -10.531 3.543 1.00 0.00 C ATOM 752 OG1 THR A 51 -3.073 -10.491 2.298 1.00 0.00 O ATOM 753 CG2 THR A 51 -2.784 -9.256 4.313 1.00 0.00 C ATOM 0 H THR A 51 -0.811 -8.966 2.312 1.00 0.00 H new ATOM 0 HA THR A 51 -0.508 -11.027 4.374 1.00 0.00 H new ATOM 0 HB THR A 51 -2.740 -11.395 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.042 -10.513 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.869 -9.174 4.377 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.364 -9.302 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.384 -8.386 3.792 1.00 0.00 H new ATOM 761 N GLY A 52 0.668 -11.923 1.872 1.00 0.00 N ATOM 762 CA GLY A 52 1.193 -13.010 1.043 1.00 0.00 C ATOM 763 C GLY A 52 2.546 -13.468 1.571 1.00 0.00 C ATOM 764 O GLY A 52 3.178 -12.741 2.340 1.00 0.00 O ATOM 0 H GLY A 52 1.313 -11.137 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.493 -13.846 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.292 -12.675 0.011 1.00 0.00 H new ATOM 768 N GLU A 53 3.015 -14.640 1.141 1.00 0.00 N ATOM 769 CA GLU A 53 4.206 -15.275 1.714 1.00 0.00 C ATOM 770 C GLU A 53 5.393 -15.353 0.741 1.00 0.00 C ATOM 771 O GLU A 53 6.421 -15.945 1.081 1.00 0.00 O ATOM 772 CB GLU A 53 3.840 -16.667 2.246 1.00 0.00 C ATOM 773 CG GLU A 53 2.997 -16.602 3.523 1.00 0.00 C ATOM 774 CD GLU A 53 2.549 -18.007 3.917 1.00 0.00 C ATOM 775 OE1 GLU A 53 3.428 -18.864 4.173 1.00 0.00 O ATOM 776 OE2 GLU A 53 1.326 -18.285 3.913 1.00 0.00 O ATOM 0 H GLU A 53 2.583 -15.176 0.388 1.00 0.00 H new ATOM 0 HA GLU A 53 4.543 -14.640 2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.291 -17.213 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.753 -17.228 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.577 -16.155 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.128 -15.964 3.364 1.00 0.00 H new ATOM 783 N ASP A 54 5.289 -14.814 -0.477 1.00 0.00 N ATOM 784 CA ASP A 54 6.328 -14.898 -1.480 1.00 0.00 C ATOM 785 C ASP A 54 6.424 -13.589 -2.281 1.00 0.00 C ATOM 786 O ASP A 54 5.394 -12.958 -2.518 1.00 0.00 O ATOM 787 CB ASP A 54 6.008 -16.109 -2.354 1.00 0.00 C ATOM 788 CG ASP A 54 5.464 -15.817 -3.746 1.00 0.00 C ATOM 789 OD1 ASP A 54 6.260 -15.417 -4.630 1.00 0.00 O ATOM 790 OD2 ASP A 54 4.279 -16.119 -3.987 1.00 0.00 O ATOM 0 H ASP A 54 4.464 -14.301 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 54 7.310 -15.030 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.916 -16.703 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.282 -16.728 -1.827 1.00 0.00 H new ATOM 795 N PRO A 55 7.636 -13.168 -2.690 1.00 0.00 N ATOM 796 CA PRO A 55 7.867 -11.861 -3.301 1.00 0.00 C ATOM 797 C PRO A 55 7.364 -11.743 -4.737 1.00 0.00 C ATOM 798 O PRO A 55 6.957 -10.657 -5.151 1.00 0.00 O ATOM 799 CB PRO A 55 9.381 -11.645 -3.249 1.00 0.00 C ATOM 800 CG PRO A 55 9.985 -13.035 -3.091 1.00 0.00 C ATOM 801 CD PRO A 55 8.899 -13.808 -2.359 1.00 0.00 C ATOM 0 HA PRO A 55 7.305 -11.104 -2.754 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.740 -11.162 -4.158 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.657 -11.000 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.217 -13.485 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.913 -13.008 -2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.895 -14.854 -2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.071 -13.792 -1.283 1.00 0.00 H new ATOM 809 N SER A 56 7.396 -12.833 -5.507 1.00 0.00 N ATOM 810 CA SER A 56 6.937 -12.835 -6.893 1.00 0.00 C ATOM 811 C SER A 56 5.428 -12.601 -6.983 1.00 0.00 C ATOM 812 O SER A 56 4.953 -12.090 -8.005 1.00 0.00 O ATOM 813 CB SER A 56 7.285 -14.158 -7.583 1.00 0.00 C ATOM 814 OG SER A 56 8.689 -14.334 -7.672 1.00 0.00 O ATOM 0 H SER A 56 7.741 -13.737 -5.185 1.00 0.00 H new ATOM 0 HA SER A 56 7.450 -12.018 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.846 -14.987 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.849 -14.176 -8.582 1.00 0.00 H new ATOM 0 HG SER A 56 8.884 -15.186 -8.115 1.00 0.00 H new ATOM 820 N ALA A 57 4.670 -12.945 -5.940 1.00 0.00 N ATOM 821 CA ALA A 57 3.248 -12.651 -5.823 1.00 0.00 C ATOM 822 C ALA A 57 2.957 -11.155 -5.612 1.00 0.00 C ATOM 823 O ALA A 57 1.796 -10.785 -5.424 1.00 0.00 O ATOM 824 CB ALA A 57 2.649 -13.514 -4.712 1.00 0.00 C ATOM 0 H ALA A 57 5.042 -13.449 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 57 2.770 -12.900 -6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.584 -13.299 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.787 -14.568 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.148 -13.291 -3.769 1.00 0.00 H new ATOM 830 N TYR A 58 3.962 -10.276 -5.653 1.00 0.00 N ATOM 831 CA TYR A 58 3.769 -8.838 -5.725 1.00 0.00 C ATOM 832 C TYR A 58 4.632 -8.290 -6.856 1.00 0.00 C ATOM 833 O TYR A 58 5.701 -8.832 -7.146 1.00 0.00 O ATOM 834 CB TYR A 58 4.101 -8.189 -4.379 1.00 0.00 C ATOM 835 CG TYR A 58 3.171 -8.567 -3.242 1.00 0.00 C ATOM 836 CD1 TYR A 58 3.317 -9.804 -2.589 1.00 0.00 C ATOM 837 CD2 TYR A 58 2.173 -7.667 -2.822 1.00 0.00 C ATOM 838 CE1 TYR A 58 2.462 -10.156 -1.533 1.00 0.00 C ATOM 839 CE2 TYR A 58 1.310 -8.013 -1.770 1.00 0.00 C ATOM 840 CZ TYR A 58 1.452 -9.259 -1.123 1.00 0.00 C ATOM 841 OH TYR A 58 0.617 -9.587 -0.103 1.00 0.00 O ATOM 0 H TYR A 58 4.943 -10.554 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 58 2.726 -8.603 -5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.119 -8.461 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.082 -7.106 -4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.092 -10.488 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.071 -6.709 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.576 -11.108 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.538 -7.326 -1.456 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.017 -8.855 0.049 1.00 0.00 H new ATOM 851 N SER A 59 4.177 -7.214 -7.496 1.00 0.00 N ATOM 852 CA SER A 59 4.897 -6.552 -8.574 1.00 0.00 C ATOM 853 C SER A 59 4.695 -5.048 -8.456 1.00 0.00 C ATOM 854 O SER A 59 3.568 -4.595 -8.240 1.00 0.00 O ATOM 855 CB SER A 59 4.398 -7.045 -9.925 1.00 0.00 C ATOM 856 OG SER A 59 4.507 -8.446 -10.090 1.00 0.00 O ATOM 0 H SER A 59 3.284 -6.774 -7.274 1.00 0.00 H new ATOM 0 HA SER A 59 5.959 -6.785 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.355 -6.753 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.962 -6.549 -10.715 1.00 0.00 H new ATOM 0 HG SER A 59 4.169 -8.698 -10.975 1.00 0.00 H new ATOM 862 N ALA A 60 5.775 -4.286 -8.609 1.00 0.00 N ATOM 863 CA ALA A 60 5.828 -2.861 -8.270 1.00 0.00 C ATOM 864 C ALA A 60 6.725 -2.001 -9.170 1.00 0.00 C ATOM 865 O ALA A 60 6.863 -0.802 -8.951 1.00 0.00 O ATOM 866 CB ALA A 60 6.237 -2.730 -6.806 1.00 0.00 C ATOM 0 H ALA A 60 6.655 -4.645 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 60 4.829 -2.462 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.282 -1.675 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.505 -3.236 -6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.217 -3.185 -6.660 1.00 0.00 H new ATOM 872 N GLY A 61 7.317 -2.618 -10.191 1.00 0.00 N ATOM 873 CA GLY A 61 7.929 -2.010 -11.369 1.00 0.00 C ATOM 874 C GLY A 61 9.253 -1.311 -11.086 1.00 0.00 C ATOM 875 O GLY A 61 10.290 -1.704 -11.609 1.00 0.00 O ATOM 0 H GLY A 61 7.386 -3.635 -10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.091 -2.782 -12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.233 -1.289 -11.797 1.00 0.00 H new ATOM 879 N ASP A 62 9.154 -0.228 -10.327 1.00 0.00 N ATOM 880 CA ASP A 62 10.128 0.805 -9.978 1.00 0.00 C ATOM 881 C ASP A 62 9.395 1.884 -9.164 1.00 0.00 C ATOM 882 O ASP A 62 9.943 2.479 -8.234 1.00 0.00 O ATOM 883 CB ASP A 62 10.697 1.432 -11.256 1.00 0.00 C ATOM 884 CG ASP A 62 11.674 2.587 -11.035 1.00 0.00 C ATOM 885 OD1 ASP A 62 12.482 2.518 -10.086 1.00 0.00 O ATOM 886 OD2 ASP A 62 11.678 3.521 -11.876 1.00 0.00 O ATOM 0 H ASP A 62 8.262 -0.024 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 62 10.947 0.376 -9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.202 0.655 -11.829 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.868 1.790 -11.866 1.00 0.00 H new ATOM 891 N GLY A 63 8.114 2.094 -9.478 1.00 0.00 N ATOM 892 CA GLY A 63 7.319 3.210 -8.995 1.00 0.00 C ATOM 893 C GLY A 63 6.733 3.043 -7.590 1.00 0.00 C ATOM 894 O GLY A 63 6.017 3.939 -7.144 1.00 0.00 O ATOM 0 H GLY A 63 7.592 1.470 -10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.938 4.107 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.500 3.379 -9.694 1.00 0.00 H new ATOM 898 N LEU A 64 7.054 1.949 -6.885 1.00 0.00 N ATOM 899 CA LEU A 64 6.283 1.394 -5.772 1.00 0.00 C ATOM 900 C LEU A 64 5.791 2.475 -4.799 1.00 0.00 C ATOM 901 O LEU A 64 4.594 2.539 -4.512 1.00 0.00 O ATOM 902 CB LEU A 64 7.157 0.370 -5.024 1.00 0.00 C ATOM 903 CG LEU A 64 6.561 -0.155 -3.695 1.00 0.00 C ATOM 904 CD1 LEU A 64 5.101 -0.633 -3.736 1.00 0.00 C ATOM 905 CD2 LEU A 64 7.393 -1.333 -3.185 1.00 0.00 C ATOM 0 H LEU A 64 7.894 1.406 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 64 5.395 0.914 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.339 -0.479 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.125 0.825 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 64 6.586 0.720 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.802 -0.976 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.457 0.191 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.007 -1.453 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.970 -1.699 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.383 -2.133 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.419 -1.007 -3.016 1.00 0.00 H new ATOM 917 N ARG A 65 6.686 3.318 -4.273 1.00 0.00 N ATOM 918 CA ARG A 65 6.347 4.294 -3.232 1.00 0.00 C ATOM 919 C ARG A 65 6.575 5.738 -3.676 1.00 0.00 C ATOM 920 O ARG A 65 6.975 6.561 -2.853 1.00 0.00 O ATOM 921 CB ARG A 65 7.031 3.893 -1.911 1.00 0.00 C ATOM 922 CG ARG A 65 8.566 3.764 -1.954 1.00 0.00 C ATOM 923 CD ARG A 65 9.294 4.810 -1.105 1.00 0.00 C ATOM 924 NE ARG A 65 9.451 6.087 -1.810 1.00 0.00 N ATOM 925 CZ ARG A 65 10.412 6.989 -1.617 1.00 0.00 C ATOM 926 NH1 ARG A 65 11.275 6.838 -0.619 1.00 0.00 N ATOM 927 NH2 ARG A 65 10.537 8.022 -2.442 1.00 0.00 N ATOM 0 H ARG A 65 7.665 3.343 -4.557 1.00 0.00 H new ATOM 0 HA ARG A 65 5.273 4.269 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.770 4.630 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.616 2.939 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.848 2.769 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.901 3.851 -2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.741 4.974 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.276 4.429 -0.825 1.00 0.00 H new ATOM 0 HE ARG A 65 8.753 6.307 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.202 6.031 0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.011 7.529 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.895 8.128 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.275 8.710 -2.290 1.00 0.00 H new ATOM 941 N ASP A 66 6.375 6.071 -4.953 1.00 0.00 N ATOM 942 CA ASP A 66 6.517 7.467 -5.377 1.00 0.00 C ATOM 943 C ASP A 66 5.565 8.359 -4.567 1.00 0.00 C ATOM 944 O ASP A 66 4.403 8.004 -4.372 1.00 0.00 O ATOM 945 CB ASP A 66 6.313 7.652 -6.885 1.00 0.00 C ATOM 946 CG ASP A 66 7.119 8.861 -7.379 1.00 0.00 C ATOM 947 OD1 ASP A 66 6.819 10.017 -7.020 1.00 0.00 O ATOM 948 OD2 ASP A 66 8.159 8.664 -8.056 1.00 0.00 O ATOM 0 H ASP A 66 6.122 5.416 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 66 7.544 7.770 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.627 6.753 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.255 7.797 -7.102 1.00 0.00 H new ATOM 953 N GLY A 67 6.078 9.477 -4.048 1.00 0.00 N ATOM 954 CA GLY A 67 5.312 10.424 -3.251 1.00 0.00 C ATOM 955 C GLY A 67 4.968 9.919 -1.846 1.00 0.00 C ATOM 956 O GLY A 67 4.030 10.431 -1.232 1.00 0.00 O ATOM 0 H GLY A 67 7.053 9.749 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.878 11.352 -3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.388 10.662 -3.777 1.00 0.00 H new ATOM 960 N ALA A 68 5.715 8.931 -1.338 1.00 0.00 N ATOM 961 CA ALA A 68 5.549 8.341 -0.018 1.00 0.00 C ATOM 962 C ALA A 68 6.909 7.995 0.599 1.00 0.00 C ATOM 963 O ALA A 68 7.956 8.213 -0.017 1.00 0.00 O ATOM 964 CB ALA A 68 4.667 7.099 -0.163 1.00 0.00 C ATOM 0 H ALA A 68 6.481 8.509 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 68 5.071 9.052 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.526 6.637 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.698 7.386 -0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.147 6.388 -0.835 1.00 0.00 H new ATOM 970 N ASP A 69 6.905 7.470 1.828 1.00 0.00 N ATOM 971 CA ASP A 69 8.066 6.912 2.526 1.00 0.00 C ATOM 972 C ASP A 69 7.564 6.053 3.691 1.00 0.00 C ATOM 973 O ASP A 69 7.131 6.595 4.704 1.00 0.00 O ATOM 974 CB ASP A 69 8.975 8.037 3.050 1.00 0.00 C ATOM 975 CG ASP A 69 10.084 7.515 3.965 1.00 0.00 C ATOM 976 OD1 ASP A 69 10.781 6.544 3.581 1.00 0.00 O ATOM 977 OD2 ASP A 69 10.294 8.106 5.047 1.00 0.00 O ATOM 0 H ASP A 69 6.054 7.420 2.388 1.00 0.00 H new ATOM 0 HA ASP A 69 8.650 6.303 1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.422 8.562 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.372 8.764 3.594 1.00 0.00 H new ATOM 982 N PHE A 70 7.543 4.724 3.543 1.00 0.00 N ATOM 983 CA PHE A 70 7.091 3.809 4.596 1.00 0.00 C ATOM 984 C PHE A 70 7.867 2.484 4.588 1.00 0.00 C ATOM 985 O PHE A 70 8.589 2.167 3.637 1.00 0.00 O ATOM 986 CB PHE A 70 5.578 3.565 4.443 1.00 0.00 C ATOM 987 CG PHE A 70 5.172 3.044 3.076 1.00 0.00 C ATOM 988 CD1 PHE A 70 5.424 1.708 2.718 1.00 0.00 C ATOM 989 CD2 PHE A 70 4.601 3.922 2.135 1.00 0.00 C ATOM 990 CE1 PHE A 70 5.113 1.262 1.428 1.00 0.00 C ATOM 991 CE2 PHE A 70 4.265 3.463 0.848 1.00 0.00 C ATOM 992 CZ PHE A 70 4.525 2.129 0.490 1.00 0.00 C ATOM 0 H PHE A 70 7.839 4.252 2.689 1.00 0.00 H new ATOM 0 HA PHE A 70 7.289 4.275 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.257 2.852 5.202 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.048 4.498 4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.856 1.027 3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.420 4.953 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.327 0.241 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.808 4.135 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.275 1.772 -0.498 1.00 0.00 H new ATOM 1002 N LEU A 71 7.672 1.698 5.649 1.00 0.00 N ATOM 1003 CA LEU A 71 8.180 0.348 5.876 1.00 0.00 C ATOM 1004 C LEU A 71 7.200 -0.698 5.344 1.00 0.00 C ATOM 1005 O LEU A 71 5.990 -0.473 5.318 1.00 0.00 O ATOM 1006 CB LEU A 71 8.352 0.100 7.387 1.00 0.00 C ATOM 1007 CG LEU A 71 9.452 0.932 8.067 1.00 0.00 C ATOM 1008 CD1 LEU A 71 9.385 0.671 9.569 1.00 0.00 C ATOM 1009 CD2 LEU A 71 10.853 0.566 7.567 1.00 0.00 C ATOM 0 H LEU A 71 7.107 2.019 6.436 1.00 0.00 H new ATOM 0 HA LEU A 71 9.134 0.262 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.404 0.307 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.569 -0.957 7.543 1.00 0.00 H new ATOM 0 HG LEU A 71 9.281 1.982 7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.157 1.251 10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.405 0.965 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.544 -0.390 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.594 1.181 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.050 -0.486 7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.913 0.742 6.493 1.00 0.00 H new ATOM 1021 N ILE A 72 7.707 -1.883 5.020 1.00 0.00 N ATOM 1022 CA ILE A 72 7.019 -2.984 4.362 1.00 0.00 C ATOM 1023 C ILE A 72 6.998 -4.178 5.322 1.00 0.00 C ATOM 1024 O ILE A 72 7.970 -4.932 5.400 1.00 0.00 O ATOM 1025 CB ILE A 72 7.715 -3.289 3.018 1.00 0.00 C ATOM 1026 CG1 ILE A 72 7.783 -2.048 2.100 1.00 0.00 C ATOM 1027 CG2 ILE A 72 7.067 -4.456 2.250 1.00 0.00 C ATOM 1028 CD1 ILE A 72 9.024 -2.137 1.220 1.00 0.00 C ATOM 0 H ILE A 72 8.679 -2.114 5.226 1.00 0.00 H new ATOM 0 HA ILE A 72 5.985 -2.734 4.125 1.00 0.00 H new ATOM 0 HB ILE A 72 8.728 -3.586 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.888 -1.991 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.814 -1.139 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.603 -4.619 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.112 -5.361 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.026 -4.216 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.074 -1.262 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.914 -2.174 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.973 -3.039 0.610 1.00 0.00 H new ATOM 1040 N CYS A 73 5.926 -4.357 6.093 1.00 0.00 N ATOM 1041 CA CYS A 73 5.783 -5.546 6.922 1.00 0.00 C ATOM 1042 C CYS A 73 5.444 -6.763 6.047 1.00 0.00 C ATOM 1043 O CYS A 73 4.489 -6.687 5.261 1.00 0.00 O ATOM 1044 CB CYS A 73 4.702 -5.343 7.988 1.00 0.00 C ATOM 1045 SG CYS A 73 5.104 -3.944 9.070 1.00 0.00 S ATOM 0 H CYS A 73 5.151 -3.697 6.159 1.00 0.00 H new ATOM 0 HA CYS A 73 6.731 -5.726 7.429 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.740 -5.169 7.506 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.600 -6.250 8.584 1.00 0.00 H new ATOM 0 HG CYS A 73 4.434 -4.047 10.179 1.00 0.00 H new ATOM 1051 N VAL A 74 6.174 -7.872 6.206 1.00 0.00 N ATOM 1052 CA VAL A 74 5.893 -9.178 5.585 1.00 0.00 C ATOM 1053 C VAL A 74 5.954 -10.266 6.680 1.00 0.00 C ATOM 1054 O VAL A 74 6.568 -10.010 7.722 1.00 0.00 O ATOM 1055 CB VAL A 74 6.867 -9.443 4.402 1.00 0.00 C ATOM 1056 CG1 VAL A 74 6.855 -8.318 3.361 1.00 0.00 C ATOM 1057 CG2 VAL A 74 8.326 -9.688 4.806 1.00 0.00 C ATOM 0 H VAL A 74 7.009 -7.889 6.792 1.00 0.00 H new ATOM 0 HA VAL A 74 4.892 -9.192 5.153 1.00 0.00 H new ATOM 0 HB VAL A 74 6.474 -10.365 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.553 -8.557 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.851 -8.214 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.152 -7.382 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.926 -9.863 3.913 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.708 -8.815 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.382 -10.560 5.457 1.00 0.00 H new ATOM 1067 N PRO A 75 5.368 -11.468 6.511 1.00 0.00 N ATOM 1068 CA PRO A 75 5.457 -12.519 7.529 1.00 0.00 C ATOM 1069 C PRO A 75 6.892 -13.041 7.653 1.00 0.00 C ATOM 1070 O PRO A 75 7.638 -13.021 6.669 1.00 0.00 O ATOM 1071 CB PRO A 75 4.524 -13.640 7.065 1.00 0.00 C ATOM 1072 CG PRO A 75 4.317 -13.398 5.572 1.00 0.00 C ATOM 1073 CD PRO A 75 4.569 -11.906 5.373 1.00 0.00 C ATOM 0 HA PRO A 75 5.172 -12.138 8.510 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.965 -14.620 7.247 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.577 -13.612 7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.006 -13.997 4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.308 -13.672 5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.095 -11.723 4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.629 -11.357 5.324 1.00 0.00 H new ATOM 1081 N GLU A 76 7.293 -13.535 8.834 1.00 0.00 N ATOM 1082 CA GLU A 76 8.663 -14.019 9.051 1.00 0.00 C ATOM 1083 C GLU A 76 9.029 -15.133 8.068 1.00 0.00 C ATOM 1084 O GLU A 76 10.161 -15.180 7.583 1.00 0.00 O ATOM 1085 CB GLU A 76 8.928 -14.460 10.499 1.00 0.00 C ATOM 1086 CG GLU A 76 8.041 -15.616 10.971 1.00 0.00 C ATOM 1087 CD GLU A 76 8.470 -16.152 12.337 1.00 0.00 C ATOM 1088 OE1 GLU A 76 8.024 -15.630 13.382 1.00 0.00 O ATOM 1089 OE2 GLU A 76 9.249 -17.141 12.362 1.00 0.00 O ATOM 0 H GLU A 76 6.688 -13.609 9.652 1.00 0.00 H new ATOM 0 HA GLU A 76 9.312 -13.164 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.973 -14.756 10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.778 -13.607 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.006 -15.279 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.077 -16.422 10.238 1.00 0.00 H new ATOM 1096 N GLU A 77 8.080 -16.012 7.731 1.00 0.00 N ATOM 1097 CA GLU A 77 8.356 -17.137 6.845 1.00 0.00 C ATOM 1098 C GLU A 77 8.543 -16.687 5.383 1.00 0.00 C ATOM 1099 O GLU A 77 8.950 -17.503 4.548 1.00 0.00 O ATOM 1100 CB GLU A 77 7.293 -18.248 6.987 1.00 0.00 C ATOM 1101 CG GLU A 77 7.934 -19.575 7.450 1.00 0.00 C ATOM 1102 CD GLU A 77 7.074 -20.822 7.183 1.00 0.00 C ATOM 1103 OE1 GLU A 77 5.874 -20.710 6.844 1.00 0.00 O ATOM 1104 OE2 GLU A 77 7.609 -21.949 7.290 1.00 0.00 O ATOM 0 H GLU A 77 7.116 -15.962 8.060 1.00 0.00 H new ATOM 0 HA GLU A 77 9.306 -17.569 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.532 -17.938 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.789 -18.398 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.894 -19.696 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.139 -19.512 8.519 1.00 0.00 H new ATOM 1111 N ALA A 78 8.307 -15.403 5.071 1.00 0.00 N ATOM 1112 CA ALA A 78 8.618 -14.779 3.784 1.00 0.00 C ATOM 1113 C ALA A 78 9.878 -13.896 3.811 1.00 0.00 C ATOM 1114 O ALA A 78 10.288 -13.410 2.759 1.00 0.00 O ATOM 1115 CB ALA A 78 7.424 -13.929 3.350 1.00 0.00 C ATOM 0 H ALA A 78 7.881 -14.753 5.732 1.00 0.00 H new ATOM 0 HA ALA A 78 8.819 -15.587 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.642 -13.458 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.543 -14.563 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.234 -13.159 4.098 1.00 0.00 H new ATOM 1121 N LEU A 79 10.475 -13.631 4.978 1.00 0.00 N ATOM 1122 CA LEU A 79 11.478 -12.573 5.123 1.00 0.00 C ATOM 1123 C LEU A 79 12.716 -12.858 4.270 1.00 0.00 C ATOM 1124 O LEU A 79 13.159 -12.022 3.480 1.00 0.00 O ATOM 1125 CB LEU A 79 11.849 -12.423 6.609 1.00 0.00 C ATOM 1126 CG LEU A 79 12.604 -11.125 6.968 1.00 0.00 C ATOM 1127 CD1 LEU A 79 12.054 -9.838 6.338 1.00 0.00 C ATOM 1128 CD2 LEU A 79 12.592 -10.954 8.493 1.00 0.00 C ATOM 0 H LEU A 79 10.278 -14.139 5.840 1.00 0.00 H new ATOM 0 HA LEU A 79 11.055 -11.634 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.936 -12.469 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.463 -13.275 6.902 1.00 0.00 H new ATOM 0 HG LEU A 79 13.606 -11.253 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.659 -8.989 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.089 -9.921 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.022 -9.689 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.122 -10.040 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.562 -10.892 8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.083 -11.808 8.959 1.00 0.00 H new ATOM 1140 N ASP A 80 13.253 -14.069 4.409 1.00 0.00 N ATOM 1141 CA ASP A 80 14.432 -14.536 3.688 1.00 0.00 C ATOM 1142 C ASP A 80 14.130 -14.562 2.191 1.00 0.00 C ATOM 1143 O ASP A 80 14.918 -14.042 1.399 1.00 0.00 O ATOM 1144 CB ASP A 80 14.801 -15.936 4.201 1.00 0.00 C ATOM 1145 CG ASP A 80 16.225 -16.387 3.870 1.00 0.00 C ATOM 1146 OD1 ASP A 80 16.712 -16.217 2.731 1.00 0.00 O ATOM 1147 OD2 ASP A 80 16.890 -16.958 4.766 1.00 0.00 O ATOM 0 H ASP A 80 12.869 -14.769 5.043 1.00 0.00 H new ATOM 0 HA ASP A 80 15.275 -13.866 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.671 -15.957 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.100 -16.658 3.782 1.00 0.00 H new ATOM 1152 N ARG A 81 12.957 -15.078 1.790 1.00 0.00 N ATOM 1153 CA ARG A 81 12.497 -15.121 0.409 1.00 0.00 C ATOM 1154 C ARG A 81 12.584 -13.748 -0.238 1.00 0.00 C ATOM 1155 O ARG A 81 13.190 -13.642 -1.306 1.00 0.00 O ATOM 1156 CB ARG A 81 11.053 -15.636 0.351 1.00 0.00 C ATOM 1157 CG ARG A 81 10.932 -17.142 0.134 1.00 0.00 C ATOM 1158 CD ARG A 81 9.462 -17.488 -0.132 1.00 0.00 C ATOM 1159 NE ARG A 81 9.296 -18.923 -0.386 1.00 0.00 N ATOM 1160 CZ ARG A 81 9.071 -19.868 0.530 1.00 0.00 C ATOM 1161 NH1 ARG A 81 8.957 -19.542 1.811 1.00 0.00 N ATOM 1162 NH2 ARG A 81 8.987 -21.139 0.162 1.00 0.00 N ATOM 0 H ARG A 81 12.289 -15.487 2.444 1.00 0.00 H new ATOM 0 HA ARG A 81 13.145 -15.802 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.548 -15.373 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.528 -15.121 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.551 -17.453 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.293 -17.680 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.855 -17.194 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.100 -16.919 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 81 9.359 -19.229 -1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.041 -18.567 2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.785 -20.266 2.508 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.094 -21.394 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.815 -21.862 0.861 1.00 0.00 H new ATOM 1176 N TYR A 82 11.983 -12.723 0.375 1.00 0.00 N ATOM 1177 CA TYR A 82 12.041 -11.359 -0.136 1.00 0.00 C ATOM 1178 C TYR A 82 13.489 -10.871 -0.205 1.00 0.00 C ATOM 1179 O TYR A 82 13.855 -10.167 -1.150 1.00 0.00 O ATOM 1180 CB TYR A 82 11.216 -10.417 0.756 1.00 0.00 C ATOM 1181 CG TYR A 82 9.754 -10.293 0.373 1.00 0.00 C ATOM 1182 CD1 TYR A 82 8.878 -11.384 0.530 1.00 0.00 C ATOM 1183 CD2 TYR A 82 9.265 -9.082 -0.154 1.00 0.00 C ATOM 1184 CE1 TYR A 82 7.523 -11.267 0.185 1.00 0.00 C ATOM 1185 CE2 TYR A 82 7.916 -8.959 -0.522 1.00 0.00 C ATOM 1186 CZ TYR A 82 7.041 -10.050 -0.341 1.00 0.00 C ATOM 1187 OH TYR A 82 5.736 -9.928 -0.675 1.00 0.00 O ATOM 0 H TYR A 82 11.445 -12.820 1.236 1.00 0.00 H new ATOM 0 HA TYR A 82 11.621 -11.355 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.278 -10.768 1.786 1.00 0.00 H new ATOM 0 HB3 TYR A 82 11.669 -9.426 0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.252 -12.319 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.933 -8.242 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.853 -12.103 0.321 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.550 -8.034 -0.942 1.00 0.00 H new ATOM 0 HH TYR A 82 5.636 -10.025 -1.645 1.00 0.00 H new ATOM 1197 N ARG A 83 14.332 -11.215 0.772 1.00 0.00 N ATOM 1198 CA ARG A 83 15.738 -10.817 0.754 1.00 0.00 C ATOM 1199 C ARG A 83 16.547 -11.517 -0.344 1.00 0.00 C ATOM 1200 O ARG A 83 17.536 -10.946 -0.794 1.00 0.00 O ATOM 1201 CB ARG A 83 16.362 -11.024 2.148 1.00 0.00 C ATOM 1202 CG ARG A 83 16.055 -9.835 3.062 1.00 0.00 C ATOM 1203 CD ARG A 83 17.051 -9.648 4.202 1.00 0.00 C ATOM 1204 NE ARG A 83 18.364 -9.223 3.702 1.00 0.00 N ATOM 1205 CZ ARG A 83 19.570 -9.727 3.977 1.00 0.00 C ATOM 1206 NH1 ARG A 83 19.746 -10.751 4.809 1.00 0.00 N ATOM 1207 NH2 ARG A 83 20.620 -9.165 3.399 1.00 0.00 N ATOM 0 H ARG A 83 14.063 -11.769 1.585 1.00 0.00 H new ATOM 0 HA ARG A 83 15.774 -9.756 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.974 -11.940 2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 83 17.441 -11.147 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.033 -8.926 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.058 -9.963 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.669 -8.905 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 83 17.155 -10.583 4.753 1.00 0.00 H new ATOM 0 HE ARG A 83 18.354 -8.434 3.055 1.00 0.00 H new ATOM 0 HH11 ARG A 83 18.942 -11.182 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 83 20.685 -11.105 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 83 20.492 -8.374 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 83 21.557 -9.523 3.585 1.00 0.00 H new ATOM 1221 N ARG A 84 16.153 -12.703 -0.822 1.00 0.00 N ATOM 1222 CA ARG A 84 16.813 -13.356 -1.963 1.00 0.00 C ATOM 1223 C ARG A 84 16.227 -12.920 -3.306 1.00 0.00 C ATOM 1224 O ARG A 84 16.686 -13.413 -4.341 1.00 0.00 O ATOM 1225 CB ARG A 84 16.753 -14.890 -1.839 1.00 0.00 C ATOM 1226 CG ARG A 84 17.408 -15.390 -0.552 1.00 0.00 C ATOM 1227 CD ARG A 84 17.654 -16.898 -0.541 1.00 0.00 C ATOM 1228 NE ARG A 84 19.080 -17.215 -0.366 1.00 0.00 N ATOM 1229 CZ ARG A 84 19.560 -18.430 -0.096 1.00 0.00 C ATOM 1230 NH1 ARG A 84 18.743 -19.473 -0.016 1.00 0.00 N ATOM 1231 NH2 ARG A 84 20.867 -18.582 0.073 1.00 0.00 N ATOM 0 H ARG A 84 15.374 -13.235 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 84 17.855 -13.037 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.713 -15.215 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.250 -15.342 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.358 -14.874 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.775 -15.127 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.078 -17.355 0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 84 17.297 -17.332 -1.475 1.00 0.00 H new ATOM 0 HE ARG A 84 19.750 -16.451 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.741 -19.348 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.117 -20.399 0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.488 -17.777 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.251 -19.504 0.280 1.00 0.00 H new ATOM 1245 N ASP A 85 15.197 -12.075 -3.319 1.00 0.00 N ATOM 1246 CA ASP A 85 14.439 -11.776 -4.527 1.00 0.00 C ATOM 1247 C ASP A 85 15.238 -10.931 -5.522 1.00 0.00 C ATOM 1248 O ASP A 85 16.146 -10.191 -5.138 1.00 0.00 O ATOM 1249 CB ASP A 85 13.164 -11.027 -4.156 1.00 0.00 C ATOM 1250 CG ASP A 85 12.316 -10.809 -5.401 1.00 0.00 C ATOM 1251 OD1 ASP A 85 12.041 -11.799 -6.113 1.00 0.00 O ATOM 1252 OD2 ASP A 85 12.066 -9.632 -5.715 1.00 0.00 O ATOM 0 H ASP A 85 14.867 -11.580 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 85 14.205 -12.727 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.600 -11.594 -3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.413 -10.068 -3.702 1.00 0.00 H new ATOM 1257 N TYR A 86 14.866 -10.970 -6.802 1.00 0.00 N ATOM 1258 CA TYR A 86 15.530 -10.233 -7.877 1.00 0.00 C ATOM 1259 C TYR A 86 14.890 -8.866 -8.181 1.00 0.00 C ATOM 1260 O TYR A 86 15.061 -8.286 -9.256 1.00 0.00 O ATOM 1261 CB TYR A 86 15.606 -11.110 -9.122 1.00 0.00 C ATOM 1262 CG TYR A 86 16.848 -10.917 -9.973 1.00 0.00 C ATOM 1263 CD1 TYR A 86 17.671 -9.777 -9.836 1.00 0.00 C ATOM 1264 CD2 TYR A 86 17.181 -11.905 -10.914 1.00 0.00 C ATOM 1265 CE1 TYR A 86 18.787 -9.615 -10.671 1.00 0.00 C ATOM 1266 CE2 TYR A 86 18.317 -11.760 -11.727 1.00 0.00 C ATOM 1267 CZ TYR A 86 19.114 -10.601 -11.620 1.00 0.00 C ATOM 1268 OH TYR A 86 20.206 -10.442 -12.410 1.00 0.00 O ATOM 0 H TYR A 86 14.076 -11.528 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 86 16.538 -9.998 -7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.554 -12.155 -8.815 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.729 -10.915 -9.739 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.441 -9.031 -9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.559 -12.782 -11.013 1.00 0.00 H new ATOM 0 HE1 TYR A 86 19.398 -8.729 -10.585 1.00 0.00 H new ATOM 0 HE2 TYR A 86 18.580 -12.534 -12.433 1.00 0.00 H new ATOM 0 HH TYR A 86 20.291 -11.213 -13.009 1.00 0.00 H new ATOM 1278 N PHE A 87 14.139 -8.362 -7.224 1.00 0.00 N ATOM 1279 CA PHE A 87 13.621 -7.006 -7.141 1.00 0.00 C ATOM 1280 C PHE A 87 13.702 -6.559 -5.687 1.00 0.00 C ATOM 1281 O PHE A 87 14.522 -5.711 -5.357 1.00 0.00 O ATOM 1282 CB PHE A 87 12.187 -6.928 -7.687 1.00 0.00 C ATOM 1283 CG PHE A 87 11.522 -5.567 -7.554 1.00 0.00 C ATOM 1284 CD1 PHE A 87 11.802 -4.552 -8.486 1.00 0.00 C ATOM 1285 CD2 PHE A 87 10.606 -5.317 -6.512 1.00 0.00 C ATOM 1286 CE1 PHE A 87 11.133 -3.315 -8.416 1.00 0.00 C ATOM 1287 CE2 PHE A 87 9.947 -4.076 -6.433 1.00 0.00 C ATOM 1288 CZ PHE A 87 10.189 -3.084 -7.401 1.00 0.00 C ATOM 0 H PHE A 87 13.852 -8.927 -6.425 1.00 0.00 H new ATOM 0 HA PHE A 87 14.218 -6.335 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 87 12.200 -7.208 -8.740 1.00 0.00 H new ATOM 0 HB3 PHE A 87 11.576 -7.667 -7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.535 -4.722 -9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.410 -6.079 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.345 -2.544 -9.142 1.00 0.00 H new ATOM 0 HE2 PHE A 87 9.254 -3.885 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.651 -2.148 -7.364 1.00 0.00 H new ATOM 1298 N TRP A 88 12.896 -7.157 -4.803 1.00 0.00 N ATOM 1299 CA TRP A 88 12.599 -6.690 -3.450 1.00 0.00 C ATOM 1300 C TRP A 88 13.826 -6.513 -2.551 1.00 0.00 C ATOM 1301 O TRP A 88 13.718 -5.841 -1.523 1.00 0.00 O ATOM 1302 CB TRP A 88 11.580 -7.627 -2.790 1.00 0.00 C ATOM 1303 CG TRP A 88 10.173 -7.503 -3.289 1.00 0.00 C ATOM 1304 CD1 TRP A 88 9.561 -8.311 -4.184 1.00 0.00 C ATOM 1305 CD2 TRP A 88 9.176 -6.506 -2.923 1.00 0.00 C ATOM 1306 NE1 TRP A 88 8.243 -7.937 -4.343 1.00 0.00 N ATOM 1307 CE2 TRP A 88 7.969 -6.789 -3.627 1.00 0.00 C ATOM 1308 CE3 TRP A 88 9.184 -5.378 -2.077 1.00 0.00 C ATOM 1309 CZ2 TRP A 88 6.840 -5.969 -3.514 1.00 0.00 C ATOM 1310 CZ3 TRP A 88 8.048 -4.560 -1.944 1.00 0.00 C ATOM 1311 CH2 TRP A 88 6.879 -4.854 -2.664 1.00 0.00 C ATOM 0 H TRP A 88 12.409 -8.025 -5.027 1.00 0.00 H new ATOM 0 HA TRP A 88 12.182 -5.689 -3.563 1.00 0.00 H new ATOM 0 HB2 TRP A 88 11.910 -8.655 -2.937 1.00 0.00 H new ATOM 0 HB3 TRP A 88 11.584 -7.441 -1.716 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.036 -9.132 -4.700 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.563 -8.440 -4.912 1.00 0.00 H new ATOM 0 HE3 TRP A 88 10.078 -5.138 -1.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.946 -6.193 -4.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 8.075 -3.704 -1.287 1.00 0.00 H new ATOM 0 HH2 TRP A 88 6.010 -4.221 -2.563 1.00 0.00 H new ATOM 1322 N GLN A 89 14.991 -7.053 -2.915 1.00 0.00 N ATOM 1323 CA GLN A 89 16.283 -6.639 -2.374 1.00 0.00 C ATOM 1324 C GLN A 89 16.442 -5.115 -2.295 1.00 0.00 C ATOM 1325 O GLN A 89 16.840 -4.591 -1.263 1.00 0.00 O ATOM 1326 CB GLN A 89 17.390 -7.227 -3.256 1.00 0.00 C ATOM 1327 CG GLN A 89 17.791 -8.602 -2.727 1.00 0.00 C ATOM 1328 CD GLN A 89 19.038 -9.133 -3.419 1.00 0.00 C ATOM 1329 OE1 GLN A 89 20.157 -8.937 -2.940 1.00 0.00 O ATOM 1330 NE2 GLN A 89 18.871 -9.772 -4.561 1.00 0.00 N ATOM 0 H GLN A 89 15.062 -7.801 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 89 16.350 -7.012 -1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 89 17.043 -7.310 -4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 89 18.254 -6.563 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.970 -8.540 -1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.968 -9.302 -2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.932 -9.918 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.681 -10.120 -5.074 1.00 0.00 H new ATOM 1339 N THR A 90 16.100 -4.399 -3.365 1.00 0.00 N ATOM 1340 CA THR A 90 16.215 -2.945 -3.440 1.00 0.00 C ATOM 1341 C THR A 90 15.313 -2.239 -2.399 1.00 0.00 C ATOM 1342 O THR A 90 15.530 -1.075 -2.071 1.00 0.00 O ATOM 1343 CB THR A 90 15.949 -2.537 -4.905 1.00 0.00 C ATOM 1344 OG1 THR A 90 16.475 -1.265 -5.218 1.00 0.00 O ATOM 1345 CG2 THR A 90 14.465 -2.557 -5.240 1.00 0.00 C ATOM 0 H THR A 90 15.730 -4.820 -4.217 1.00 0.00 H new ATOM 0 HA THR A 90 17.218 -2.614 -3.169 1.00 0.00 H new ATOM 0 HB THR A 90 16.464 -3.283 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.283 -1.053 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.323 -2.264 -6.280 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.072 -3.562 -5.090 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.936 -1.859 -4.591 1.00 0.00 H new ATOM 1353 N TYR A 91 14.324 -2.930 -1.810 1.00 0.00 N ATOM 1354 CA TYR A 91 13.468 -2.409 -0.740 1.00 0.00 C ATOM 1355 C TYR A 91 13.798 -3.069 0.614 1.00 0.00 C ATOM 1356 O TYR A 91 13.075 -2.883 1.592 1.00 0.00 O ATOM 1357 CB TYR A 91 11.981 -2.519 -1.128 1.00 0.00 C ATOM 1358 CG TYR A 91 11.564 -1.620 -2.285 1.00 0.00 C ATOM 1359 CD1 TYR A 91 11.114 -0.300 -2.062 1.00 0.00 C ATOM 1360 CD2 TYR A 91 11.641 -2.095 -3.608 1.00 0.00 C ATOM 1361 CE1 TYR A 91 10.823 0.551 -3.141 1.00 0.00 C ATOM 1362 CE2 TYR A 91 11.370 -1.243 -4.693 1.00 0.00 C ATOM 1363 CZ TYR A 91 10.976 0.091 -4.464 1.00 0.00 C ATOM 1364 OH TYR A 91 10.732 0.933 -5.499 1.00 0.00 O ATOM 0 H TYR A 91 14.095 -3.888 -2.073 1.00 0.00 H new ATOM 0 HA TYR A 91 13.676 -1.347 -0.611 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.762 -3.554 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.372 -2.276 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.992 0.059 -1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 91 11.911 -3.124 -3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.482 1.559 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.464 -1.611 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 91 10.884 0.463 -6.346 1.00 0.00 H new ATOM 1374 N ALA A 92 14.902 -3.821 0.731 1.00 0.00 N ATOM 1375 CA ALA A 92 15.324 -4.481 1.968 1.00 0.00 C ATOM 1376 C ALA A 92 15.762 -3.482 3.043 1.00 0.00 C ATOM 1377 O ALA A 92 15.974 -3.888 4.188 1.00 0.00 O ATOM 1378 CB ALA A 92 16.458 -5.465 1.673 1.00 0.00 C ATOM 0 H ALA A 92 15.537 -3.989 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 92 14.461 -5.018 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.767 -5.952 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.112 -6.218 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 92 17.305 -4.927 1.246 1.00 0.00 H new ATOM 1384 N ALA A 93 15.871 -2.194 2.693 1.00 0.00 N ATOM 1385 CA ALA A 93 16.057 -1.109 3.642 1.00 0.00 C ATOM 1386 C ALA A 93 14.747 -0.680 4.322 1.00 0.00 C ATOM 1387 O ALA A 93 14.786 0.177 5.203 1.00 0.00 O ATOM 1388 CB ALA A 93 16.716 0.090 2.946 1.00 0.00 C ATOM 0 H ALA A 93 15.831 -1.880 1.723 1.00 0.00 H new ATOM 0 HA ALA A 93 16.711 -1.481 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.852 0.898 3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.686 -0.208 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 93 16.079 0.432 2.130 1.00 0.00 H new ATOM 1394 N TRP A 94 13.595 -1.219 3.912 1.00 0.00 N ATOM 1395 CA TRP A 94 12.288 -0.879 4.470 1.00 0.00 C ATOM 1396 C TRP A 94 11.471 -2.114 4.841 1.00 0.00 C ATOM 1397 O TRP A 94 10.477 -1.992 5.555 1.00 0.00 O ATOM 1398 CB TRP A 94 11.518 -0.002 3.476 1.00 0.00 C ATOM 1399 CG TRP A 94 12.122 1.339 3.211 1.00 0.00 C ATOM 1400 CD1 TRP A 94 11.895 2.477 3.908 1.00 0.00 C ATOM 1401 CD2 TRP A 94 13.063 1.693 2.165 1.00 0.00 C ATOM 1402 NE1 TRP A 94 12.651 3.501 3.374 1.00 0.00 N ATOM 1403 CE2 TRP A 94 13.367 3.077 2.275 1.00 0.00 C ATOM 1404 CE3 TRP A 94 13.680 0.974 1.122 1.00 0.00 C ATOM 1405 CZ2 TRP A 94 14.213 3.724 1.369 1.00 0.00 C ATOM 1406 CZ3 TRP A 94 14.552 1.608 0.217 1.00 0.00 C ATOM 1407 CH2 TRP A 94 14.809 2.984 0.334 1.00 0.00 C ATOM 0 H TRP A 94 13.547 -1.916 3.169 1.00 0.00 H new ATOM 0 HA TRP A 94 12.456 -0.327 5.395 1.00 0.00 H new ATOM 0 HB2 TRP A 94 11.435 -0.539 2.531 1.00 0.00 H new ATOM 0 HB3 TRP A 94 10.505 0.141 3.851 1.00 0.00 H new ATOM 0 HD1 TRP A 94 11.226 2.569 4.751 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.677 4.451 3.745 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.480 -0.082 1.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.406 4.782 1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 15.024 1.036 -0.568 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.465 3.473 -0.371 1.00 0.00 H new ATOM 1418 N ILE A 95 11.838 -3.312 4.377 1.00 0.00 N ATOM 1419 CA ILE A 95 11.126 -4.528 4.757 1.00 0.00 C ATOM 1420 C ILE A 95 11.378 -4.798 6.246 1.00 0.00 C ATOM 1421 O ILE A 95 12.471 -4.539 6.751 1.00 0.00 O ATOM 1422 CB ILE A 95 11.502 -5.698 3.817 1.00 0.00 C ATOM 1423 CG1 ILE A 95 10.958 -5.417 2.392 1.00 0.00 C ATOM 1424 CG2 ILE A 95 10.901 -7.033 4.300 1.00 0.00 C ATOM 1425 CD1 ILE A 95 11.678 -6.192 1.287 1.00 0.00 C ATOM 0 H ILE A 95 12.621 -3.462 3.741 1.00 0.00 H new ATOM 0 HA ILE A 95 10.050 -4.409 4.634 1.00 0.00 H new ATOM 0 HB ILE A 95 12.589 -5.777 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.897 -5.665 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 95 11.041 -4.350 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.187 -7.830 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 95 11.276 -7.261 5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.814 -6.953 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.239 -5.941 0.321 1.00 0.00 H new ATOM 0 HD12 ILE A 95 12.735 -5.926 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.573 -7.262 1.466 1.00 0.00 H new ATOM 1437 N GLN A 96 10.375 -5.316 6.956 1.00 0.00 N ATOM 1438 CA GLN A 96 10.529 -5.872 8.288 1.00 0.00 C ATOM 1439 C GLN A 96 9.521 -7.005 8.528 1.00 0.00 C ATOM 1440 O GLN A 96 8.545 -7.140 7.786 1.00 0.00 O ATOM 1441 CB GLN A 96 10.387 -4.779 9.361 1.00 0.00 C ATOM 1442 CG GLN A 96 9.230 -3.780 9.214 1.00 0.00 C ATOM 1443 CD GLN A 96 9.040 -2.966 10.500 1.00 0.00 C ATOM 1444 OE1 GLN A 96 7.921 -2.711 10.943 1.00 0.00 O ATOM 1445 NE2 GLN A 96 10.123 -2.529 11.128 1.00 0.00 N ATOM 0 H GLN A 96 9.417 -5.359 6.609 1.00 0.00 H new ATOM 0 HA GLN A 96 11.533 -6.290 8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.285 -5.270 10.329 1.00 0.00 H new ATOM 0 HB3 GLN A 96 11.318 -4.212 9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.429 -3.107 8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.310 -4.315 8.979 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.049 -2.743 10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.030 -1.979 11.982 1.00 0.00 H new ATOM 1454 N PRO A 97 9.744 -7.822 9.569 1.00 0.00 N ATOM 1455 CA PRO A 97 8.773 -8.795 10.031 1.00 0.00 C ATOM 1456 C PRO A 97 7.533 -8.174 10.669 1.00 0.00 C ATOM 1457 O PRO A 97 7.590 -7.117 11.304 1.00 0.00 O ATOM 1458 CB PRO A 97 9.519 -9.713 11.004 1.00 0.00 C ATOM 1459 CG PRO A 97 10.700 -8.870 11.475 1.00 0.00 C ATOM 1460 CD PRO A 97 10.994 -7.952 10.300 1.00 0.00 C ATOM 0 HA PRO A 97 8.375 -9.349 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.884 -10.011 11.838 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.852 -10.628 10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.452 -8.302 12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.561 -9.492 11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.348 -6.980 10.644 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.775 -8.369 9.665 1.00 0.00 H new ATOM 1468 N MET A 98 6.422 -8.899 10.525 1.00 0.00 N ATOM 1469 CA MET A 98 5.198 -8.692 11.278 1.00 0.00 C ATOM 1470 C MET A 98 5.391 -9.085 12.747 1.00 0.00 C ATOM 1471 O MET A 98 6.438 -9.609 13.151 1.00 0.00 O ATOM 1472 CB MET A 98 4.046 -9.494 10.641 1.00 0.00 C ATOM 1473 CG MET A 98 3.560 -8.862 9.339 1.00 0.00 C ATOM 1474 SD MET A 98 1.869 -9.319 8.879 1.00 0.00 S ATOM 1475 CE MET A 98 2.148 -10.269 7.365 1.00 0.00 C ATOM 0 H MET A 98 6.354 -9.668 9.859 1.00 0.00 H new ATOM 0 HA MET A 98 4.943 -7.633 11.248 1.00 0.00 H new ATOM 0 HB2 MET A 98 4.378 -10.514 10.447 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.216 -9.558 11.345 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.619 -7.777 9.430 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.235 -9.152 8.533 1.00 0.00 H new ATOM 0 HE1 MET A 98 1.192 -10.614 6.971 1.00 0.00 H new ATOM 0 HE2 MET A 98 2.639 -9.638 6.625 1.00 0.00 H new ATOM 0 HE3 MET A 98 2.781 -11.129 7.586 1.00 0.00 H new ATOM 1485 N GLU A 99 4.357 -8.837 13.543 1.00 0.00 N ATOM 1486 CA GLU A 99 4.178 -9.198 14.938 1.00 0.00 C ATOM 1487 C GLU A 99 2.684 -9.530 15.131 1.00 0.00 C ATOM 1488 O GLU A 99 1.907 -9.474 14.169 1.00 0.00 O ATOM 1489 CB GLU A 99 4.551 -7.988 15.801 1.00 0.00 C ATOM 1490 CG GLU A 99 6.049 -7.676 15.834 1.00 0.00 C ATOM 1491 CD GLU A 99 6.282 -6.345 16.535 1.00 0.00 C ATOM 1492 OE1 GLU A 99 6.173 -5.291 15.864 1.00 0.00 O ATOM 1493 OE2 GLU A 99 6.533 -6.361 17.767 1.00 0.00 O ATOM 0 H GLU A 99 3.546 -8.329 13.190 1.00 0.00 H new ATOM 0 HA GLU A 99 4.800 -10.048 15.219 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.018 -7.113 15.429 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.206 -8.163 16.820 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.584 -8.470 16.354 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.444 -7.637 14.819 1.00 0.00 H new ATOM 1500 N GLN A 100 2.269 -9.826 16.366 1.00 0.00 N ATOM 1501 CA GLN A 100 0.899 -9.655 16.839 1.00 0.00 C ATOM 1502 C GLN A 100 0.876 -8.350 17.622 1.00 0.00 C ATOM 1503 O GLN A 100 1.071 -7.300 16.968 1.00 0.00 O ATOM 1504 CB GLN A 100 0.399 -10.888 17.627 1.00 0.00 C ATOM 1505 CG GLN A 100 1.413 -11.448 18.643 1.00 0.00 C ATOM 1506 CD GLN A 100 0.861 -12.590 19.500 1.00 0.00 C ATOM 1507 OE1 GLN A 100 -0.346 -12.786 19.653 1.00 0.00 O ATOM 1508 NE2 GLN A 100 1.735 -13.412 20.059 1.00 0.00 N ATOM 0 H GLN A 100 2.895 -10.200 17.079 1.00 0.00 H new ATOM 0 HA GLN A 100 0.191 -9.588 16.013 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.516 -10.620 18.155 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.139 -11.675 16.919 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.294 -11.801 18.107 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.741 -10.641 19.298 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.735 -13.254 19.935 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.408 -14.203 20.613 1.00 0.00 H new TER 1517 GLN A 100