USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 788 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 47 LYS NZ :NH3+ 135:sc= 0.607 (180deg=-0.0618) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0.217 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 76 MET CE :methyl -155:sc= 0 (180deg=-0.351) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 0.218 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -84:sc= 0.75 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HE2:sc= -3.18 F(o=-5.4!,f=-3.2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.81! X(o=-1.8!,f=-1.4) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.471 F(o=-1.6,f=-0.47) USER MOD Single : A 41 SER OG : rot -72:sc= -2.76! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -133:sc= 0.245 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 153:sc= 0.419 (180deg=-1.48!) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= -0.0308 (180deg=-0.242) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -53:sc= 0.108 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -1.2 F(o=-2.4!,f=-1.2) USER MOD Single : A 98 SER OG : rot -29:sc= 0.179 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 SER OG : rot 28:sc= 0.0612 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -16.543 8.839 9.547 1.00 0.00 N ATOM 2 CA GLY A -2 -17.429 9.938 9.070 1.00 0.00 C ATOM 3 C GLY A -2 -18.011 9.664 7.694 1.00 0.00 C ATOM 4 O GLY A -2 -19.189 9.323 7.571 1.00 0.00 O ATOM 0 H1 GLY A -2 -16.173 9.076 10.489 1.00 0.00 H new ATOM 0 H2 GLY A -2 -17.086 7.954 9.601 1.00 0.00 H new ATOM 0 H3 GLY A -2 -15.751 8.719 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -18.242 10.080 9.782 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -16.864 10.869 9.042 1.00 0.00 H new ATOM 10 N SER A -1 -17.183 9.813 6.659 1.00 0.00 N ATOM 11 CA SER A -1 -17.615 9.579 5.281 1.00 0.00 C ATOM 12 C SER A -1 -17.167 8.202 4.793 1.00 0.00 C ATOM 13 O SER A -1 -16.046 7.771 5.070 1.00 0.00 O ATOM 14 CB SER A -1 -17.057 10.667 4.356 1.00 0.00 C ATOM 15 OG SER A -1 -17.542 11.947 4.723 1.00 0.00 O ATOM 0 H SER A -1 -16.207 10.095 6.750 1.00 0.00 H new ATOM 0 HA SER A -1 -18.704 9.615 5.259 1.00 0.00 H new ATOM 0 HB2 SER A -1 -15.968 10.661 4.399 1.00 0.00 H new ATOM 0 HB3 SER A -1 -17.337 10.451 3.325 1.00 0.00 H new ATOM 0 HG SER A -1 -17.170 12.623 4.119 1.00 0.00 H new ATOM 21 N HIS A 0 -18.053 7.516 4.067 1.00 0.00 N ATOM 22 CA HIS A 0 -17.754 6.183 3.537 1.00 0.00 C ATOM 23 C HIS A 0 -17.334 6.261 2.069 1.00 0.00 C ATOM 24 O HIS A 0 -16.289 5.731 1.687 1.00 0.00 O ATOM 25 CB HIS A 0 -18.972 5.263 3.687 1.00 0.00 C ATOM 26 CG HIS A 0 -19.299 4.922 5.109 1.00 0.00 C ATOM 27 ND1 HIS A 0 -20.104 5.709 5.907 1.00 0.00 N ATOM 28 CD2 HIS A 0 -18.923 3.870 5.877 1.00 0.00 C ATOM 29 CE1 HIS A 0 -20.209 5.156 7.103 1.00 0.00 C ATOM 30 NE2 HIS A 0 -19.503 4.041 7.109 1.00 0.00 N ATOM 0 H HIS A 0 -18.984 7.862 3.833 1.00 0.00 H new ATOM 0 HA HIS A 0 -16.925 5.769 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -19.837 5.743 3.230 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -18.790 4.341 3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -18.287 3.051 5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -20.776 5.550 7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -19.404 3.408 7.902 1.00 0.00 H new ATOM 39 N MET A 1 -18.154 6.926 1.250 1.00 0.00 N ATOM 40 CA MET A 1 -17.870 7.075 -0.178 1.00 0.00 C ATOM 41 C MET A 1 -17.203 8.420 -0.463 1.00 0.00 C ATOM 42 O MET A 1 -17.565 9.439 0.129 1.00 0.00 O ATOM 43 CB MET A 1 -19.160 6.947 -0.997 1.00 0.00 C ATOM 44 CG MET A 1 -19.760 5.547 -0.982 1.00 0.00 C ATOM 45 SD MET A 1 -21.263 5.420 -1.972 1.00 0.00 S ATOM 46 CE MET A 1 -22.482 6.068 -0.830 1.00 0.00 C ATOM 0 H MET A 1 -19.021 7.370 1.553 1.00 0.00 H new ATOM 0 HA MET A 1 -17.184 6.279 -0.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.896 7.652 -0.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.955 7.233 -2.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.023 4.837 -1.356 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.983 5.263 0.047 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.465 6.053 -1.300 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.501 5.453 0.070 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.223 7.093 -0.564 1.00 0.00 H new ATOM 56 N SER A 2 -16.227 8.416 -1.375 1.00 0.00 N ATOM 57 CA SER A 2 -15.506 9.635 -1.743 1.00 0.00 C ATOM 58 C SER A 2 -15.309 9.716 -3.257 1.00 0.00 C ATOM 59 O SER A 2 -14.739 8.808 -3.866 1.00 0.00 O ATOM 60 CB SER A 2 -14.149 9.683 -1.033 1.00 0.00 C ATOM 61 OG SER A 2 -13.372 8.536 -1.332 1.00 0.00 O ATOM 0 H SER A 2 -15.919 7.580 -1.872 1.00 0.00 H new ATOM 0 HA SER A 2 -16.103 10.491 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.609 10.580 -1.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.302 9.751 0.044 1.00 0.00 H new ATOM 0 HG SER A 2 -13.547 8.254 -2.254 1.00 0.00 H new ATOM 67 N ALA A 3 -15.784 10.809 -3.857 1.00 0.00 N ATOM 68 CA ALA A 3 -15.662 11.015 -5.300 1.00 0.00 C ATOM 69 C ALA A 3 -15.218 12.446 -5.618 1.00 0.00 C ATOM 70 O ALA A 3 -15.748 13.082 -6.532 1.00 0.00 O ATOM 71 CB ALA A 3 -16.984 10.697 -5.989 1.00 0.00 C ATOM 0 H ALA A 3 -16.258 11.566 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 3 -14.897 10.338 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -16.882 10.854 -7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -17.253 9.658 -5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -17.764 11.351 -5.600 1.00 0.00 H new ATOM 77 N GLY A 4 -14.240 12.943 -4.858 1.00 0.00 N ATOM 78 CA GLY A 4 -13.736 14.292 -5.069 1.00 0.00 C ATOM 79 C GLY A 4 -12.567 14.330 -6.038 1.00 0.00 C ATOM 80 O GLY A 4 -11.409 14.334 -5.618 1.00 0.00 O ATOM 0 H GLY A 4 -13.788 12.433 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.540 14.922 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.426 14.714 -4.113 1.00 0.00 H new ATOM 84 N GLU A 5 -12.872 14.356 -7.337 1.00 0.00 N ATOM 85 CA GLU A 5 -11.844 14.392 -8.374 1.00 0.00 C ATOM 86 C GLU A 5 -11.297 15.814 -8.553 1.00 0.00 C ATOM 87 O GLU A 5 -12.029 16.716 -8.966 1.00 0.00 O ATOM 88 CB GLU A 5 -12.413 13.874 -9.702 1.00 0.00 C ATOM 89 CG GLU A 5 -11.348 13.482 -10.717 1.00 0.00 C ATOM 90 CD GLU A 5 -11.936 12.865 -11.973 1.00 0.00 C ATOM 91 OE1 GLU A 5 -12.219 13.617 -12.928 1.00 0.00 O ATOM 92 OE2 GLU A 5 -12.110 11.629 -12.000 1.00 0.00 O ATOM 0 H GLU A 5 -13.827 14.353 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.023 13.746 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.047 13.010 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.051 14.643 -10.138 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.768 14.364 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.657 12.774 -10.258 1.00 0.00 H new ATOM 99 N PRO A 6 -9.999 16.040 -8.241 1.00 0.00 N ATOM 100 CA PRO A 6 -9.372 17.362 -8.368 1.00 0.00 C ATOM 101 C PRO A 6 -8.998 17.697 -9.816 1.00 0.00 C ATOM 102 O PRO A 6 -9.355 16.964 -10.741 1.00 0.00 O ATOM 103 CB PRO A 6 -8.124 17.211 -7.499 1.00 0.00 C ATOM 104 CG PRO A 6 -7.741 15.787 -7.668 1.00 0.00 C ATOM 105 CD PRO A 6 -9.039 15.033 -7.731 1.00 0.00 C ATOM 0 HA PRO A 6 -10.032 18.175 -8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.327 17.880 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.333 17.447 -6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.157 15.642 -8.577 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.126 15.443 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.971 14.171 -8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.333 14.658 -6.751 1.00 0.00 H new ATOM 113 N HIS A 7 -8.278 18.805 -10.005 1.00 0.00 N ATOM 114 CA HIS A 7 -7.856 19.232 -11.339 1.00 0.00 C ATOM 115 C HIS A 7 -6.516 18.594 -11.714 1.00 0.00 C ATOM 116 O HIS A 7 -5.454 19.082 -11.319 1.00 0.00 O ATOM 117 CB HIS A 7 -7.749 20.761 -11.404 1.00 0.00 C ATOM 118 CG HIS A 7 -9.068 21.462 -11.298 1.00 0.00 C ATOM 119 ND1 HIS A 7 -9.894 21.684 -12.381 1.00 0.00 N ATOM 120 CD2 HIS A 7 -9.707 21.994 -10.228 1.00 0.00 C ATOM 121 CE1 HIS A 7 -10.980 22.321 -11.983 1.00 0.00 C ATOM 122 NE2 HIS A 7 -10.892 22.520 -10.681 1.00 0.00 N ATOM 0 H HIS A 7 -7.976 19.422 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.609 18.902 -12.055 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.099 21.105 -10.600 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.272 21.043 -12.342 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.351 22.003 -9.209 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.801 22.627 -12.615 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.591 22.989 -10.105 1.00 0.00 H new ATOM 131 N GLU A 8 -6.574 17.501 -12.479 1.00 0.00 N ATOM 132 CA GLU A 8 -5.368 16.791 -12.911 1.00 0.00 C ATOM 133 C GLU A 8 -4.927 17.266 -14.299 1.00 0.00 C ATOM 134 O GLU A 8 -5.634 18.032 -14.955 1.00 0.00 O ATOM 135 CB GLU A 8 -5.609 15.273 -12.933 1.00 0.00 C ATOM 136 CG GLU A 8 -6.226 14.712 -11.653 1.00 0.00 C ATOM 137 CD GLU A 8 -7.742 14.608 -11.715 1.00 0.00 C ATOM 138 OE1 GLU A 8 -8.345 15.181 -12.649 1.00 0.00 O ATOM 139 OE2 GLU A 8 -8.325 13.953 -10.827 1.00 0.00 O ATOM 0 H GLU A 8 -7.445 17.088 -12.812 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.576 17.011 -12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.263 15.034 -13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.660 14.770 -13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.808 13.724 -11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.946 15.348 -10.813 1.00 0.00 H new ATOM 146 N THR A 9 -3.756 16.799 -14.742 1.00 0.00 N ATOM 147 CA THR A 9 -3.222 17.170 -16.052 1.00 0.00 C ATOM 148 C THR A 9 -2.357 16.044 -16.633 1.00 0.00 C ATOM 149 O THR A 9 -2.567 15.620 -17.771 1.00 0.00 O ATOM 150 CB THR A 9 -2.421 18.481 -15.966 1.00 0.00 C ATOM 151 OG1 THR A 9 -1.723 18.726 -17.174 1.00 0.00 O ATOM 152 CG2 THR A 9 -1.407 18.515 -14.837 1.00 0.00 C ATOM 0 H THR A 9 -3.161 16.163 -14.211 1.00 0.00 H new ATOM 0 HA THR A 9 -4.065 17.329 -16.724 1.00 0.00 H new ATOM 0 HB THR A 9 -3.170 19.249 -15.773 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.876 18.234 -17.168 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.885 19.472 -14.845 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.920 18.390 -13.883 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.687 17.708 -14.970 1.00 0.00 H new ATOM 160 N ASP A 10 -1.392 15.561 -15.844 1.00 0.00 N ATOM 161 CA ASP A 10 -0.504 14.479 -16.276 1.00 0.00 C ATOM 162 C ASP A 10 -0.244 13.516 -15.122 1.00 0.00 C ATOM 163 O ASP A 10 0.698 13.702 -14.348 1.00 0.00 O ATOM 164 CB ASP A 10 0.832 15.033 -16.793 1.00 0.00 C ATOM 165 CG ASP A 10 0.655 16.183 -17.769 1.00 0.00 C ATOM 166 OD1 ASP A 10 0.823 17.348 -17.351 1.00 0.00 O ATOM 167 OD2 ASP A 10 0.350 15.916 -18.951 1.00 0.00 O ATOM 0 H ASP A 10 -1.206 15.904 -14.901 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.998 13.947 -17.089 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.432 15.369 -15.947 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.388 14.232 -17.280 1.00 0.00 H new ATOM 172 N CYS A 11 -1.085 12.489 -15.001 1.00 0.00 N ATOM 173 CA CYS A 11 -0.934 11.510 -13.929 1.00 0.00 C ATOM 174 C CYS A 11 -0.083 10.321 -14.368 1.00 0.00 C ATOM 175 O CYS A 11 0.793 9.878 -13.625 1.00 0.00 O ATOM 176 CB CYS A 11 -2.293 11.004 -13.447 1.00 0.00 C ATOM 177 SG CYS A 11 -2.186 9.891 -12.007 1.00 0.00 S ATOM 0 H CYS A 11 -1.871 12.315 -15.627 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.429 12.020 -13.109 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.920 11.858 -13.190 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.788 10.480 -14.265 1.00 0.00 H new ATOM 182 N SER A 12 -0.354 9.796 -15.570 1.00 0.00 N ATOM 183 CA SER A 12 0.385 8.641 -16.092 1.00 0.00 C ATOM 184 C SER A 12 1.890 8.801 -15.903 1.00 0.00 C ATOM 185 O SER A 12 2.593 7.817 -15.690 1.00 0.00 O ATOM 186 CB SER A 12 0.085 8.417 -17.572 1.00 0.00 C ATOM 187 OG SER A 12 -1.294 8.178 -17.789 1.00 0.00 O ATOM 0 H SER A 12 -1.076 10.151 -16.196 1.00 0.00 H new ATOM 0 HA SER A 12 0.052 7.774 -15.522 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.399 9.290 -18.145 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.665 7.570 -17.938 1.00 0.00 H new ATOM 0 HG SER A 12 -1.456 8.040 -18.746 1.00 0.00 H new ATOM 193 N GLU A 13 2.378 10.042 -15.972 1.00 0.00 N ATOM 194 CA GLU A 13 3.800 10.310 -15.792 1.00 0.00 C ATOM 195 C GLU A 13 4.208 9.998 -14.361 1.00 0.00 C ATOM 196 O GLU A 13 5.173 9.273 -14.131 1.00 0.00 O ATOM 197 CB GLU A 13 4.134 11.759 -16.141 1.00 0.00 C ATOM 198 CG GLU A 13 3.918 12.108 -17.608 1.00 0.00 C ATOM 199 CD GLU A 13 5.027 11.592 -18.505 1.00 0.00 C ATOM 200 OE1 GLU A 13 6.028 12.317 -18.690 1.00 0.00 O ATOM 201 OE2 GLU A 13 4.895 10.463 -19.023 1.00 0.00 O ATOM 0 H GLU A 13 1.810 10.870 -16.150 1.00 0.00 H new ATOM 0 HA GLU A 13 4.361 9.667 -16.470 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.523 12.420 -15.527 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.174 11.954 -15.881 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.966 11.692 -17.939 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.847 13.191 -17.712 1.00 0.00 H new ATOM 208 N ILE A 14 3.443 10.515 -13.399 1.00 0.00 N ATOM 209 CA ILE A 14 3.713 10.248 -11.986 1.00 0.00 C ATOM 210 C ILE A 14 3.767 8.762 -11.776 1.00 0.00 C ATOM 211 O ILE A 14 4.724 8.257 -11.190 1.00 0.00 O ATOM 212 CB ILE A 14 2.646 10.869 -11.053 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.812 12.395 -10.988 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.707 10.248 -9.655 1.00 0.00 C ATOM 215 CD1 ILE A 14 3.822 12.868 -9.962 1.00 0.00 C ATOM 0 H ILE A 14 2.637 11.117 -13.570 1.00 0.00 H new ATOM 0 HA ILE A 14 4.667 10.710 -11.732 1.00 0.00 H new ATOM 0 HB ILE A 14 1.662 10.650 -11.467 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.112 12.759 -11.971 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.845 12.845 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.946 10.703 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.526 9.175 -9.725 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.692 10.422 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.878 13.956 -9.981 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.514 12.538 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.801 12.450 -10.196 1.00 0.00 H new ATOM 227 N LEU A 15 2.785 8.039 -12.313 1.00 0.00 N ATOM 228 CA LEU A 15 2.813 6.600 -12.217 1.00 0.00 C ATOM 229 C LEU A 15 4.080 6.150 -12.918 1.00 0.00 C ATOM 230 O LEU A 15 4.899 5.444 -12.333 1.00 0.00 O ATOM 231 CB LEU A 15 1.556 5.979 -12.844 1.00 0.00 C ATOM 232 CG LEU A 15 0.244 6.738 -12.575 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.926 6.054 -13.269 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.019 6.869 -11.076 1.00 0.00 C ATOM 0 H LEU A 15 1.981 8.426 -12.807 1.00 0.00 H new ATOM 0 HA LEU A 15 2.816 6.271 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.703 5.911 -13.922 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.450 4.960 -12.472 1.00 0.00 H new ATOM 0 HG LEU A 15 0.348 7.742 -12.986 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.843 6.607 -13.066 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.748 6.030 -14.344 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.026 5.035 -12.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.952 7.409 -10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.094 5.877 -10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.801 7.415 -10.609 1.00 0.00 H new ATOM 246 N ASP A 16 4.235 6.568 -14.188 1.00 0.00 N ATOM 247 CA ASP A 16 5.412 6.217 -14.977 1.00 0.00 C ATOM 248 C ASP A 16 6.677 6.215 -14.123 1.00 0.00 C ATOM 249 O ASP A 16 7.537 5.355 -14.324 1.00 0.00 O ATOM 250 CB ASP A 16 5.572 7.172 -16.163 1.00 0.00 C ATOM 251 CG ASP A 16 6.561 6.662 -17.196 1.00 0.00 C ATOM 252 OD1 ASP A 16 6.141 5.903 -18.095 1.00 0.00 O ATOM 253 OD2 ASP A 16 7.753 7.023 -17.106 1.00 0.00 O ATOM 0 H ASP A 16 3.557 7.148 -14.682 1.00 0.00 H new ATOM 0 HA ASP A 16 5.263 5.207 -15.358 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.602 7.322 -16.637 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.902 8.145 -15.799 1.00 0.00 H new ATOM 258 N HIS A 17 6.794 7.117 -13.124 1.00 0.00 N ATOM 259 CA HIS A 17 7.957 7.081 -12.254 1.00 0.00 C ATOM 260 C HIS A 17 7.764 5.927 -11.286 1.00 0.00 C ATOM 261 O HIS A 17 8.572 5.008 -11.232 1.00 0.00 O ATOM 262 CB HIS A 17 8.168 8.370 -11.423 1.00 0.00 C ATOM 263 CG HIS A 17 7.623 9.642 -11.994 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.508 10.097 -13.263 1.00 0.00 N flip ATOM 265 CD2 HIS A 17 7.163 10.657 -11.182 1.00 0.00 C flip ATOM 266 CE1 HIS A 17 6.990 11.370 -13.190 1.00 0.00 C flip ATOM 267 NE2 HIS A 17 6.791 11.680 -11.921 1.00 0.00 N flip ATOM 0 H HIS A 17 6.115 7.849 -12.916 1.00 0.00 H new ATOM 0 HA HIS A 17 8.834 6.973 -12.892 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.718 8.218 -10.442 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.239 8.500 -11.266 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.758 9.592 -14.113 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.115 10.618 -10.104 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.780 12.012 -14.033 1.00 0.00 H new ATOM 276 N LEU A 18 6.668 5.989 -10.521 1.00 0.00 N ATOM 277 CA LEU A 18 6.347 4.948 -9.532 1.00 0.00 C ATOM 278 C LEU A 18 6.704 3.541 -10.029 1.00 0.00 C ATOM 279 O LEU A 18 7.020 2.665 -9.229 1.00 0.00 O ATOM 280 CB LEU A 18 4.858 4.989 -9.159 1.00 0.00 C ATOM 281 CG LEU A 18 4.485 5.967 -8.041 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.430 7.389 -8.574 1.00 0.00 C ATOM 283 CD2 LEU A 18 3.153 5.580 -7.408 1.00 0.00 C ATOM 0 H LEU A 18 5.988 6.748 -10.566 1.00 0.00 H new ATOM 0 HA LEU A 18 6.953 5.162 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.285 5.247 -10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.549 3.988 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 18 5.255 5.917 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.164 8.070 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.405 7.665 -8.975 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.682 7.453 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.907 6.288 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.371 5.598 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.228 4.577 -6.988 1.00 0.00 H new ATOM 295 N TYR A 19 6.650 3.328 -11.345 1.00 0.00 N ATOM 296 CA TYR A 19 6.974 2.028 -11.925 1.00 0.00 C ATOM 297 C TYR A 19 8.484 1.905 -12.177 1.00 0.00 C ATOM 298 O TYR A 19 9.163 1.114 -11.522 1.00 0.00 O ATOM 299 CB TYR A 19 6.175 1.825 -13.225 1.00 0.00 C ATOM 300 CG TYR A 19 6.089 0.381 -13.685 1.00 0.00 C ATOM 301 CD1 TYR A 19 7.213 -0.268 -14.180 1.00 0.00 C ATOM 302 CD2 TYR A 19 4.888 -0.332 -13.629 1.00 0.00 C ATOM 303 CE1 TYR A 19 7.155 -1.578 -14.607 1.00 0.00 C ATOM 304 CE2 TYR A 19 4.824 -1.646 -14.055 1.00 0.00 C ATOM 305 CZ TYR A 19 5.959 -2.264 -14.542 1.00 0.00 C ATOM 306 OH TYR A 19 5.897 -3.573 -14.967 1.00 0.00 O ATOM 0 H TYR A 19 6.385 4.039 -12.027 1.00 0.00 H new ATOM 0 HA TYR A 19 6.695 1.245 -11.220 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.165 2.209 -13.081 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.633 2.420 -14.016 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.151 0.264 -14.231 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.999 0.149 -13.248 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.040 -2.064 -14.990 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.890 -2.187 -14.007 1.00 0.00 H new ATOM 0 HH TYR A 19 4.984 -3.911 -14.854 1.00 0.00 H new ATOM 316 N GLU A 20 8.998 2.680 -13.135 1.00 0.00 N ATOM 317 CA GLU A 20 10.410 2.660 -13.492 1.00 0.00 C ATOM 318 C GLU A 20 11.287 3.208 -12.356 1.00 0.00 C ATOM 319 O GLU A 20 12.380 2.709 -12.100 1.00 0.00 O ATOM 320 CB GLU A 20 10.591 3.487 -14.769 1.00 0.00 C ATOM 321 CG GLU A 20 11.953 4.135 -14.909 1.00 0.00 C ATOM 322 CD GLU A 20 12.529 4.013 -16.307 1.00 0.00 C ATOM 323 OE1 GLU A 20 12.276 4.916 -17.134 1.00 0.00 O ATOM 324 OE2 GLU A 20 13.233 3.017 -16.577 1.00 0.00 O ATOM 0 H GLU A 20 8.443 3.338 -13.683 1.00 0.00 H new ATOM 0 HA GLU A 20 10.727 1.631 -13.663 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.418 2.843 -15.631 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.828 4.265 -14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.876 5.190 -14.645 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.641 3.678 -14.198 1.00 0.00 H new ATOM 331 N PHE A 21 10.780 4.227 -11.679 1.00 0.00 N ATOM 332 CA PHE A 21 11.474 4.863 -10.557 1.00 0.00 C ATOM 333 C PHE A 21 11.682 3.849 -9.448 1.00 0.00 C ATOM 334 O PHE A 21 12.781 3.667 -8.929 1.00 0.00 O ATOM 335 CB PHE A 21 10.610 6.024 -10.023 1.00 0.00 C ATOM 336 CG PHE A 21 11.345 7.059 -9.224 1.00 0.00 C ATOM 337 CD1 PHE A 21 11.369 8.376 -9.642 1.00 0.00 C ATOM 338 CD2 PHE A 21 11.999 6.718 -8.056 1.00 0.00 C ATOM 339 CE1 PHE A 21 12.038 9.339 -8.914 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.671 7.675 -7.318 1.00 0.00 C ATOM 341 CZ PHE A 21 12.692 8.988 -7.750 1.00 0.00 C ATOM 0 H PHE A 21 9.872 4.642 -11.889 1.00 0.00 H new ATOM 0 HA PHE A 21 12.440 5.240 -10.892 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.130 6.516 -10.869 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.816 5.608 -9.403 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.857 8.656 -10.551 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.985 5.693 -7.716 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.050 10.364 -9.254 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.178 7.397 -6.406 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.219 9.738 -7.178 1.00 0.00 H new ATOM 351 N LEU A 22 10.586 3.216 -9.091 1.00 0.00 N ATOM 352 CA LEU A 22 10.577 2.229 -8.030 1.00 0.00 C ATOM 353 C LEU A 22 11.311 0.951 -8.438 1.00 0.00 C ATOM 354 O LEU A 22 12.155 0.456 -7.691 1.00 0.00 O ATOM 355 CB LEU A 22 9.133 1.936 -7.635 1.00 0.00 C ATOM 356 CG LEU A 22 8.923 1.068 -6.390 1.00 0.00 C ATOM 357 CD1 LEU A 22 9.640 1.643 -5.174 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.434 0.923 -6.115 1.00 0.00 C ATOM 0 H LEU A 22 9.676 3.370 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 22 11.112 2.632 -7.170 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.624 2.887 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.642 1.448 -8.477 1.00 0.00 H new ATOM 0 HG LEU A 22 9.353 0.085 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.467 0.999 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.710 1.700 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.257 2.642 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.286 0.305 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.997 1.908 -5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.950 0.452 -6.971 1.00 0.00 H new ATOM 370 N ASP A 23 10.952 0.390 -9.592 1.00 0.00 N ATOM 371 CA ASP A 23 11.544 -0.872 -10.056 1.00 0.00 C ATOM 372 C ASP A 23 12.968 -0.745 -10.617 1.00 0.00 C ATOM 373 O ASP A 23 13.807 -1.612 -10.364 1.00 0.00 O ATOM 374 CB ASP A 23 10.646 -1.494 -11.133 1.00 0.00 C ATOM 375 CG ASP A 23 10.693 -3.011 -11.131 1.00 0.00 C ATOM 376 OD1 ASP A 23 9.930 -3.627 -10.359 1.00 0.00 O ATOM 377 OD2 ASP A 23 11.493 -3.581 -11.902 1.00 0.00 O ATOM 0 H ASP A 23 10.256 0.785 -10.224 1.00 0.00 H new ATOM 0 HA ASP A 23 11.616 -1.504 -9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.618 -1.166 -10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.952 -1.126 -12.112 1.00 0.00 H new ATOM 382 N LYS A 24 13.224 0.282 -11.429 1.00 0.00 N ATOM 383 CA LYS A 24 14.530 0.433 -12.071 1.00 0.00 C ATOM 384 C LYS A 24 15.503 1.354 -11.324 1.00 0.00 C ATOM 385 O LYS A 24 16.713 1.121 -11.369 1.00 0.00 O ATOM 386 CB LYS A 24 14.342 0.923 -13.515 1.00 0.00 C ATOM 387 CG LYS A 24 14.024 -0.193 -14.506 1.00 0.00 C ATOM 388 CD LYS A 24 12.531 -0.508 -14.558 1.00 0.00 C ATOM 389 CE LYS A 24 12.247 -1.739 -15.406 1.00 0.00 C ATOM 390 NZ LYS A 24 10.793 -2.061 -15.457 1.00 0.00 N ATOM 0 H LYS A 24 12.552 1.015 -11.656 1.00 0.00 H new ATOM 0 HA LYS A 24 14.991 -0.555 -12.054 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.537 1.657 -13.538 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.249 1.435 -13.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.368 0.096 -15.499 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.574 -1.092 -14.228 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.157 -0.668 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.992 0.347 -14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.617 -1.575 -16.418 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.793 -2.591 -15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.645 -2.906 -16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.444 -2.243 -14.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.274 -1.259 -15.867 1.00 0.00 H new ATOM 404 N GLU A 25 15.010 2.406 -10.664 1.00 0.00 N ATOM 405 CA GLU A 25 15.908 3.329 -9.961 1.00 0.00 C ATOM 406 C GLU A 25 16.546 2.691 -8.716 1.00 0.00 C ATOM 407 O GLU A 25 17.742 2.399 -8.719 1.00 0.00 O ATOM 408 CB GLU A 25 15.190 4.637 -9.595 1.00 0.00 C ATOM 409 CG GLU A 25 16.083 5.867 -9.687 1.00 0.00 C ATOM 410 CD GLU A 25 15.352 7.153 -9.347 1.00 0.00 C ATOM 411 OE1 GLU A 25 15.643 7.736 -8.281 1.00 0.00 O ATOM 412 OE2 GLU A 25 14.492 7.576 -10.147 1.00 0.00 O ATOM 0 H GLU A 25 14.019 2.637 -10.601 1.00 0.00 H new ATOM 0 HA GLU A 25 16.717 3.563 -10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.334 4.769 -10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.800 4.556 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.930 5.747 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.488 5.941 -10.696 1.00 0.00 H new ATOM 419 N MET A 26 15.752 2.484 -7.655 1.00 0.00 N ATOM 420 CA MET A 26 16.257 1.889 -6.408 1.00 0.00 C ATOM 421 C MET A 26 15.151 1.850 -5.344 1.00 0.00 C ATOM 422 O MET A 26 14.945 2.821 -4.618 1.00 0.00 O ATOM 423 CB MET A 26 17.469 2.676 -5.875 1.00 0.00 C ATOM 424 CG MET A 26 18.765 1.876 -5.866 1.00 0.00 C ATOM 425 SD MET A 26 20.216 2.895 -5.536 1.00 0.00 S ATOM 426 CE MET A 26 21.524 1.679 -5.672 1.00 0.00 C ATOM 0 H MET A 26 14.760 2.719 -7.635 1.00 0.00 H new ATOM 0 HA MET A 26 16.574 0.869 -6.627 1.00 0.00 H new ATOM 0 HB2 MET A 26 17.608 3.568 -6.485 1.00 0.00 H new ATOM 0 HB3 MET A 26 17.254 3.013 -4.861 1.00 0.00 H new ATOM 0 HG2 MET A 26 18.698 1.093 -5.111 1.00 0.00 H new ATOM 0 HG3 MET A 26 18.887 1.380 -6.829 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.486 2.158 -5.493 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.368 0.892 -4.934 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.515 1.245 -6.672 1.00 0.00 H new ATOM 436 N PRO A 27 14.415 0.722 -5.253 1.00 0.00 N ATOM 437 CA PRO A 27 13.310 0.541 -4.297 1.00 0.00 C ATOM 438 C PRO A 27 13.534 1.189 -2.922 1.00 0.00 C ATOM 439 O PRO A 27 12.617 1.802 -2.372 1.00 0.00 O ATOM 440 CB PRO A 27 13.236 -0.978 -4.178 1.00 0.00 C ATOM 441 CG PRO A 27 13.602 -1.471 -5.536 1.00 0.00 C ATOM 442 CD PRO A 27 14.592 -0.477 -6.099 1.00 0.00 C ATOM 0 HA PRO A 27 12.398 1.026 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 27 13.924 -1.352 -3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.237 -1.307 -3.891 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.040 -2.468 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.721 -1.544 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.613 -0.856 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.387 -0.260 -7.147 1.00 0.00 H new ATOM 450 N ASP A 28 14.740 1.048 -2.366 1.00 0.00 N ATOM 451 CA ASP A 28 15.049 1.623 -1.048 1.00 0.00 C ATOM 452 C ASP A 28 15.500 3.080 -1.154 1.00 0.00 C ATOM 453 O ASP A 28 15.137 3.905 -0.312 1.00 0.00 O ATOM 454 CB ASP A 28 16.113 0.784 -0.325 1.00 0.00 C ATOM 455 CG ASP A 28 17.415 0.680 -1.102 1.00 0.00 C ATOM 456 OD1 ASP A 28 17.519 -0.214 -1.968 1.00 0.00 O ATOM 457 OD2 ASP A 28 18.326 1.495 -0.845 1.00 0.00 O ATOM 0 H ASP A 28 15.514 0.546 -2.801 1.00 0.00 H new ATOM 0 HA ASP A 28 14.129 1.604 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.313 1.224 0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.720 -0.217 -0.149 1.00 0.00 H new ATOM 462 N SER A 29 16.279 3.401 -2.187 1.00 0.00 N ATOM 463 CA SER A 29 16.758 4.769 -2.390 1.00 0.00 C ATOM 464 C SER A 29 15.769 5.564 -3.250 1.00 0.00 C ATOM 465 O SER A 29 16.166 6.290 -4.165 1.00 0.00 O ATOM 466 CB SER A 29 18.150 4.757 -3.032 1.00 0.00 C ATOM 467 OG SER A 29 19.083 5.472 -2.240 1.00 0.00 O ATOM 0 H SER A 29 16.591 2.735 -2.894 1.00 0.00 H new ATOM 0 HA SER A 29 16.832 5.258 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.487 3.728 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.099 5.199 -4.027 1.00 0.00 H new ATOM 0 HG SER A 29 19.963 5.448 -2.670 1.00 0.00 H new ATOM 473 N ASP A 30 14.474 5.417 -2.944 1.00 0.00 N ATOM 474 CA ASP A 30 13.424 6.111 -3.680 1.00 0.00 C ATOM 475 C ASP A 30 12.384 6.724 -2.743 1.00 0.00 C ATOM 476 O ASP A 30 11.708 7.673 -3.124 1.00 0.00 O ATOM 477 CB ASP A 30 12.732 5.153 -4.658 1.00 0.00 C ATOM 478 CG ASP A 30 13.600 4.786 -5.848 1.00 0.00 C ATOM 479 OD1 ASP A 30 13.295 3.771 -6.507 1.00 0.00 O ATOM 480 OD2 ASP A 30 14.581 5.509 -6.124 1.00 0.00 O ATOM 0 H ASP A 30 14.133 4.821 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 30 13.900 6.919 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.450 4.243 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.811 5.612 -5.016 1.00 0.00 H new ATOM 485 N ALA A 31 12.251 6.191 -1.519 1.00 0.00 N ATOM 486 CA ALA A 31 11.276 6.721 -0.564 1.00 0.00 C ATOM 487 C ALA A 31 11.480 8.217 -0.306 1.00 0.00 C ATOM 488 O ALA A 31 10.511 8.971 -0.214 1.00 0.00 O ATOM 489 CB ALA A 31 11.344 5.945 0.741 1.00 0.00 C ATOM 0 H ALA A 31 12.800 5.404 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 31 10.286 6.599 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.614 6.349 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.123 4.895 0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.344 6.034 1.166 1.00 0.00 H new ATOM 495 N VAL A 32 12.740 8.641 -0.196 1.00 0.00 N ATOM 496 CA VAL A 32 13.060 10.046 0.048 1.00 0.00 C ATOM 497 C VAL A 32 13.044 10.856 -1.249 1.00 0.00 C ATOM 498 O VAL A 32 12.711 12.042 -1.239 1.00 0.00 O ATOM 499 CB VAL A 32 14.427 10.212 0.743 1.00 0.00 C ATOM 500 CG1 VAL A 32 14.684 11.671 1.109 1.00 0.00 C ATOM 501 CG2 VAL A 32 14.520 9.323 1.979 1.00 0.00 C ATOM 0 H VAL A 32 13.554 8.031 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 32 12.286 10.428 0.713 1.00 0.00 H new ATOM 0 HB VAL A 32 15.198 9.900 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 32 15.655 11.758 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 32 14.677 12.280 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.904 12.019 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.493 9.458 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.734 9.595 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.400 8.280 1.687 1.00 0.00 H new ATOM 511 N LYS A 33 13.377 10.206 -2.366 1.00 0.00 N ATOM 512 CA LYS A 33 13.368 10.870 -3.669 1.00 0.00 C ATOM 513 C LYS A 33 11.950 10.903 -4.230 1.00 0.00 C ATOM 514 O LYS A 33 11.639 11.707 -5.106 1.00 0.00 O ATOM 515 CB LYS A 33 14.312 10.158 -4.649 1.00 0.00 C ATOM 516 CG LYS A 33 15.747 10.030 -4.149 1.00 0.00 C ATOM 517 CD LYS A 33 16.425 11.388 -4.008 1.00 0.00 C ATOM 518 CE LYS A 33 17.918 11.247 -3.751 1.00 0.00 C ATOM 519 NZ LYS A 33 18.590 12.571 -3.622 1.00 0.00 N ATOM 0 H LYS A 33 13.655 9.225 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 33 13.721 11.893 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.920 9.162 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.315 10.701 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.751 9.521 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.318 9.410 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.265 11.971 -4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.965 11.941 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.076 10.670 -2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.375 10.687 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.605 12.429 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.462 13.112 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.172 13.096 -2.828 1.00 0.00 H new ATOM 533 N PHE A 34 11.089 10.028 -3.702 1.00 0.00 N ATOM 534 CA PHE A 34 9.697 9.952 -4.125 1.00 0.00 C ATOM 535 C PHE A 34 8.958 11.236 -3.742 1.00 0.00 C ATOM 536 O PHE A 34 8.581 12.018 -4.614 1.00 0.00 O ATOM 537 CB PHE A 34 9.016 8.728 -3.486 1.00 0.00 C ATOM 538 CG PHE A 34 9.182 7.441 -4.249 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.210 6.231 -3.576 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.268 7.432 -5.634 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.321 5.045 -4.262 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.385 6.248 -6.324 1.00 0.00 C ATOM 543 CZ PHE A 34 9.409 5.051 -5.640 1.00 0.00 C ATOM 0 H PHE A 34 11.340 9.359 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 34 9.663 9.843 -5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.415 8.592 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.951 8.936 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.144 6.219 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.243 8.366 -6.176 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.339 4.109 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.458 6.256 -7.401 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.496 4.120 -6.181 1.00 0.00 H new ATOM 553 N GLU A 35 8.738 11.426 -2.431 1.00 0.00 N ATOM 554 CA GLU A 35 8.027 12.599 -1.891 1.00 0.00 C ATOM 555 C GLU A 35 8.069 13.822 -2.824 1.00 0.00 C ATOM 556 O GLU A 35 7.049 14.479 -3.033 1.00 0.00 O ATOM 557 CB GLU A 35 8.608 12.976 -0.522 1.00 0.00 C ATOM 558 CG GLU A 35 7.618 13.692 0.387 1.00 0.00 C ATOM 559 CD GLU A 35 8.216 14.058 1.733 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.785 15.163 1.850 1.00 0.00 O ATOM 561 OE2 GLU A 35 8.115 13.237 2.669 1.00 0.00 O ATOM 0 H GLU A 35 9.048 10.770 -1.714 1.00 0.00 H new ATOM 0 HA GLU A 35 6.980 12.311 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.957 12.072 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.479 13.614 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.266 14.597 -0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.747 13.055 0.542 1.00 0.00 H new ATOM 568 N HIS A 36 9.251 14.127 -3.369 1.00 0.00 N ATOM 569 CA HIS A 36 9.423 15.279 -4.267 1.00 0.00 C ATOM 570 C HIS A 36 8.446 15.246 -5.448 1.00 0.00 C ATOM 571 O HIS A 36 7.677 16.186 -5.653 1.00 0.00 O ATOM 572 CB HIS A 36 10.859 15.334 -4.811 1.00 0.00 C ATOM 573 CG HIS A 36 11.922 15.118 -3.788 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.061 15.888 -2.652 1.00 0.00 N ATOM 575 CD2 HIS A 36 12.910 14.204 -3.748 1.00 0.00 C ATOM 576 CE1 HIS A 36 13.096 15.453 -1.955 1.00 0.00 C ATOM 577 NE2 HIS A 36 13.630 14.429 -2.600 1.00 0.00 N ATOM 0 H HIS A 36 10.105 13.593 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 36 9.214 16.169 -3.673 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.966 14.581 -5.591 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.018 16.305 -5.281 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.101 13.436 -4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.446 15.863 -1.019 1.00 0.00 H new ATOM 0 HE2 HIS A 36 14.443 13.894 -2.295 1.00 0.00 H new ATOM 586 N HIS A 37 8.500 14.166 -6.228 1.00 0.00 N ATOM 587 CA HIS A 37 7.638 14.010 -7.405 1.00 0.00 C ATOM 588 C HIS A 37 6.217 13.623 -7.008 1.00 0.00 C ATOM 589 O HIS A 37 5.250 14.000 -7.670 1.00 0.00 O ATOM 590 CB HIS A 37 8.208 12.952 -8.355 1.00 0.00 C ATOM 591 CG HIS A 37 9.683 12.929 -8.374 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.558 12.215 -7.638 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.425 13.738 -9.189 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 11.813 12.606 -8.019 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 11.697 13.527 -8.957 1.00 0.00 N flip ATOM 0 H HIS A 37 9.133 13.383 -6.067 1.00 0.00 H new ATOM 0 HA HIS A 37 7.606 14.974 -7.914 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.839 11.970 -8.060 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.840 13.141 -9.363 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.328 11.516 -6.931 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.027 14.438 -9.908 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.741 12.225 -7.620 1.00 0.00 H new ATOM 604 N PHE A 38 6.105 12.847 -5.933 1.00 0.00 N ATOM 605 CA PHE A 38 4.812 12.376 -5.443 1.00 0.00 C ATOM 606 C PHE A 38 3.934 13.532 -4.942 1.00 0.00 C ATOM 607 O PHE A 38 2.706 13.448 -5.002 1.00 0.00 O ATOM 608 CB PHE A 38 5.024 11.339 -4.328 1.00 0.00 C ATOM 609 CG PHE A 38 5.530 9.993 -4.810 1.00 0.00 C ATOM 610 CD1 PHE A 38 6.060 9.832 -6.097 1.00 0.00 C ATOM 611 CD2 PHE A 38 5.459 8.873 -3.979 1.00 0.00 C ATOM 612 CE1 PHE A 38 6.497 8.596 -6.528 1.00 0.00 C ATOM 613 CE2 PHE A 38 5.904 7.642 -4.413 1.00 0.00 C ATOM 614 CZ PHE A 38 6.420 7.503 -5.685 1.00 0.00 C ATOM 0 H PHE A 38 6.901 12.529 -5.381 1.00 0.00 H new ATOM 0 HA PHE A 38 4.287 11.910 -6.276 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.733 11.742 -3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.081 11.191 -3.802 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.127 10.683 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.051 8.972 -2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.899 8.483 -7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.849 6.786 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.765 6.537 -6.023 1.00 0.00 H new ATOM 624 N GLU A 39 4.562 14.605 -4.449 1.00 0.00 N ATOM 625 CA GLU A 39 3.822 15.765 -3.939 1.00 0.00 C ATOM 626 C GLU A 39 3.542 16.803 -5.030 1.00 0.00 C ATOM 627 O GLU A 39 2.543 17.521 -4.959 1.00 0.00 O ATOM 628 CB GLU A 39 4.593 16.423 -2.787 1.00 0.00 C ATOM 629 CG GLU A 39 4.612 15.597 -1.508 1.00 0.00 C ATOM 630 CD GLU A 39 3.328 15.719 -0.707 1.00 0.00 C ATOM 631 OE1 GLU A 39 3.262 16.595 0.180 1.00 0.00 O ATOM 632 OE2 GLU A 39 2.388 14.938 -0.969 1.00 0.00 O ATOM 0 H GLU A 39 5.576 14.695 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 39 2.861 15.397 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.619 16.605 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.149 17.395 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.779 14.550 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.452 15.914 -0.889 1.00 0.00 H new ATOM 639 N GLU A 40 4.429 16.897 -6.027 1.00 0.00 N ATOM 640 CA GLU A 40 4.266 17.873 -7.112 1.00 0.00 C ATOM 641 C GLU A 40 2.928 17.708 -7.845 1.00 0.00 C ATOM 642 O GLU A 40 2.353 18.691 -8.316 1.00 0.00 O ATOM 643 CB GLU A 40 5.440 17.796 -8.104 1.00 0.00 C ATOM 644 CG GLU A 40 5.429 16.577 -9.020 1.00 0.00 C ATOM 645 CD GLU A 40 5.396 16.949 -10.492 1.00 0.00 C ATOM 646 OE1 GLU A 40 6.326 16.551 -11.226 1.00 0.00 O ATOM 647 OE2 GLU A 40 4.441 17.636 -10.911 1.00 0.00 O ATOM 0 H GLU A 40 5.262 16.314 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 40 4.264 18.861 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.435 18.695 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.373 17.800 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.314 15.971 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.561 15.960 -8.786 1.00 0.00 H new ATOM 654 N SER A 41 2.434 16.469 -7.939 1.00 0.00 N ATOM 655 CA SER A 41 1.163 16.200 -8.615 1.00 0.00 C ATOM 656 C SER A 41 0.230 15.359 -7.742 1.00 0.00 C ATOM 657 O SER A 41 -0.172 14.258 -8.125 1.00 0.00 O ATOM 658 CB SER A 41 1.391 15.502 -9.958 1.00 0.00 C ATOM 659 OG SER A 41 2.756 15.529 -10.331 1.00 0.00 O ATOM 0 H SER A 41 2.893 15.642 -7.558 1.00 0.00 H new ATOM 0 HA SER A 41 0.686 17.163 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.050 14.469 -9.895 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.792 15.988 -10.728 1.00 0.00 H new ATOM 0 HG SER A 41 3.003 16.438 -10.602 1.00 0.00 H new ATOM 665 N SER A 42 -0.132 15.893 -6.575 1.00 0.00 N ATOM 666 CA SER A 42 -1.041 15.195 -5.666 1.00 0.00 C ATOM 667 C SER A 42 -2.378 14.876 -6.356 1.00 0.00 C ATOM 668 O SER A 42 -2.917 13.784 -6.179 1.00 0.00 O ATOM 669 CB SER A 42 -1.288 16.027 -4.403 1.00 0.00 C ATOM 670 OG SER A 42 -0.067 16.476 -3.837 1.00 0.00 O ATOM 0 H SER A 42 0.188 16.801 -6.239 1.00 0.00 H new ATOM 0 HA SER A 42 -0.568 14.255 -5.382 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.916 16.884 -4.646 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.833 15.430 -3.672 1.00 0.00 H new ATOM 0 HG SER A 42 -0.254 17.005 -3.034 1.00 0.00 H new ATOM 676 N PRO A 43 -2.937 15.825 -7.156 1.00 0.00 N ATOM 677 CA PRO A 43 -4.219 15.625 -7.862 1.00 0.00 C ATOM 678 C PRO A 43 -4.243 14.391 -8.771 1.00 0.00 C ATOM 679 O PRO A 43 -5.320 13.870 -9.066 1.00 0.00 O ATOM 680 CB PRO A 43 -4.384 16.900 -8.686 1.00 0.00 C ATOM 681 CG PRO A 43 -3.569 17.915 -7.970 1.00 0.00 C ATOM 682 CD PRO A 43 -2.386 17.169 -7.429 1.00 0.00 C ATOM 0 HA PRO A 43 -5.026 15.446 -7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.034 16.760 -9.709 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.430 17.201 -8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.256 18.713 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.140 18.381 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.569 17.131 -8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.993 17.635 -6.525 1.00 0.00 H new ATOM 690 N CYS A 44 -3.069 13.880 -9.166 1.00 0.00 N ATOM 691 CA CYS A 44 -3.001 12.669 -9.979 1.00 0.00 C ATOM 692 C CYS A 44 -3.208 11.479 -9.054 1.00 0.00 C ATOM 693 O CYS A 44 -3.964 10.552 -9.339 1.00 0.00 O ATOM 694 CB CYS A 44 -1.627 12.566 -10.669 1.00 0.00 C ATOM 695 SG CYS A 44 -0.943 10.871 -10.735 1.00 0.00 S ATOM 0 H CYS A 44 -2.162 14.286 -8.935 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.767 12.690 -10.754 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.714 12.950 -11.685 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.921 13.210 -10.145 1.00 0.00 H new ATOM 700 N LEU A 45 -2.507 11.545 -7.934 1.00 0.00 N ATOM 701 CA LEU A 45 -2.546 10.535 -6.911 1.00 0.00 C ATOM 702 C LEU A 45 -3.870 10.546 -6.127 1.00 0.00 C ATOM 703 O LEU A 45 -4.081 9.699 -5.258 1.00 0.00 O ATOM 704 CB LEU A 45 -1.357 10.769 -5.984 1.00 0.00 C ATOM 705 CG LEU A 45 -0.542 9.540 -5.668 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.383 9.186 -6.827 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.250 9.730 -4.385 1.00 0.00 C ATOM 0 H LEU A 45 -1.884 12.322 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.484 9.550 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.703 11.513 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.723 11.194 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.232 8.709 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.960 8.296 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.211 8.992 -7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.063 10.017 -7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.830 8.830 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.925 10.579 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.436 9.918 -3.559 1.00 0.00 H new ATOM 719 N GLU A 46 -4.759 11.505 -6.430 1.00 0.00 N ATOM 720 CA GLU A 46 -6.052 11.611 -5.744 1.00 0.00 C ATOM 721 C GLU A 46 -7.223 11.333 -6.697 1.00 0.00 C ATOM 722 O GLU A 46 -8.391 11.501 -6.341 1.00 0.00 O ATOM 723 CB GLU A 46 -6.174 12.999 -5.126 1.00 0.00 C ATOM 724 CG GLU A 46 -5.097 13.267 -4.093 1.00 0.00 C ATOM 725 CD GLU A 46 -5.657 13.669 -2.741 1.00 0.00 C ATOM 726 OE1 GLU A 46 -5.818 14.885 -2.503 1.00 0.00 O ATOM 727 OE2 GLU A 46 -5.935 12.769 -1.921 1.00 0.00 O ATOM 0 H GLU A 46 -4.604 12.216 -7.145 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.096 10.856 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.114 13.751 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.154 13.102 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.485 12.373 -3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.441 14.057 -4.457 1.00 0.00 H new ATOM 734 N LYS A 47 -6.878 10.825 -7.875 1.00 0.00 N ATOM 735 CA LYS A 47 -7.880 10.420 -8.863 1.00 0.00 C ATOM 736 C LYS A 47 -8.087 8.903 -8.840 1.00 0.00 C ATOM 737 O LYS A 47 -9.051 8.389 -9.410 1.00 0.00 O ATOM 738 CB LYS A 47 -7.569 10.938 -10.268 1.00 0.00 C ATOM 739 CG LYS A 47 -6.677 10.036 -11.093 1.00 0.00 C ATOM 740 CD LYS A 47 -5.478 10.792 -11.601 1.00 0.00 C ATOM 741 CE LYS A 47 -5.756 11.486 -12.929 1.00 0.00 C ATOM 742 NZ LYS A 47 -5.762 10.529 -14.072 1.00 0.00 N ATOM 0 H LYS A 47 -5.913 10.683 -8.172 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.821 10.890 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.508 11.085 -10.802 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.095 11.916 -10.183 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.350 9.189 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.240 9.630 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.178 11.534 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.641 10.104 -11.720 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.719 11.994 -12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.000 12.252 -13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.579 10.726 -14.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.884 10.636 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.827 9.556 -13.710 1.00 0.00 H new ATOM 756 N TYR A 48 -7.169 8.196 -8.170 1.00 0.00 N ATOM 757 CA TYR A 48 -7.235 6.740 -8.059 1.00 0.00 C ATOM 758 C TYR A 48 -7.128 6.282 -6.601 1.00 0.00 C ATOM 759 O TYR A 48 -7.650 5.225 -6.243 1.00 0.00 O ATOM 760 CB TYR A 48 -6.123 6.100 -8.893 1.00 0.00 C ATOM 761 CG TYR A 48 -6.147 6.507 -10.352 1.00 0.00 C ATOM 762 CD1 TYR A 48 -5.055 7.138 -10.937 1.00 0.00 C ATOM 763 CD2 TYR A 48 -7.259 6.257 -11.145 1.00 0.00 C ATOM 764 CE1 TYR A 48 -5.073 7.507 -12.269 1.00 0.00 C ATOM 765 CE2 TYR A 48 -7.286 6.621 -12.477 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.188 7.245 -13.035 1.00 0.00 C ATOM 767 OH TYR A 48 -6.210 7.610 -14.362 1.00 0.00 O ATOM 0 H TYR A 48 -6.369 8.615 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.204 6.419 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.158 6.371 -8.465 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.208 5.015 -8.826 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.178 7.343 -10.341 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.119 5.769 -10.712 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.217 7.998 -12.707 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.160 6.419 -13.078 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.069 7.352 -14.758 1.00 0.00 H new ATOM 777 N GLY A 49 -6.444 7.072 -5.767 1.00 0.00 N ATOM 778 CA GLY A 49 -6.278 6.724 -4.372 1.00 0.00 C ATOM 779 C GLY A 49 -4.920 6.111 -4.093 1.00 0.00 C ATOM 780 O GLY A 49 -4.815 5.124 -3.363 1.00 0.00 O ATOM 0 H GLY A 49 -6.003 7.950 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.405 7.616 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.059 6.022 -4.079 1.00 0.00 H new ATOM 784 N LEU A 50 -3.878 6.699 -4.684 1.00 0.00 N ATOM 785 CA LEU A 50 -2.513 6.209 -4.508 1.00 0.00 C ATOM 786 C LEU A 50 -1.813 6.904 -3.341 1.00 0.00 C ATOM 787 O LEU A 50 -0.843 6.370 -2.804 1.00 0.00 O ATOM 788 CB LEU A 50 -1.704 6.401 -5.800 1.00 0.00 C ATOM 789 CG LEU A 50 -1.340 5.121 -6.570 1.00 0.00 C ATOM 790 CD1 LEU A 50 -2.479 4.105 -6.547 1.00 0.00 C ATOM 791 CD2 LEU A 50 -0.965 5.473 -8.004 1.00 0.00 C ATOM 0 H LEU A 50 -3.956 7.516 -5.289 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.571 5.145 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.271 7.052 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.781 6.925 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.485 4.659 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.183 3.214 -7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.703 3.833 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.365 4.542 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.708 4.563 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.809 5.960 -8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.109 6.148 -8.001 1.00 0.00 H new ATOM 803 N GLU A 51 -2.304 8.087 -2.934 1.00 0.00 N ATOM 804 CA GLU A 51 -1.701 8.811 -1.806 1.00 0.00 C ATOM 805 C GLU A 51 -1.444 7.842 -0.652 1.00 0.00 C ATOM 806 O GLU A 51 -0.308 7.649 -0.221 1.00 0.00 O ATOM 807 CB GLU A 51 -2.618 9.951 -1.337 1.00 0.00 C ATOM 808 CG GLU A 51 -2.543 11.203 -2.202 1.00 0.00 C ATOM 809 CD GLU A 51 -1.524 12.208 -1.697 1.00 0.00 C ATOM 810 OE1 GLU A 51 -1.770 12.822 -0.637 1.00 0.00 O ATOM 811 OE2 GLU A 51 -0.481 12.383 -2.361 1.00 0.00 O ATOM 0 H GLU A 51 -3.103 8.555 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.756 9.244 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.647 9.593 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.358 10.214 -0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.290 10.918 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.525 11.675 -2.236 1.00 0.00 H new ATOM 818 N GLN A 52 -2.527 7.224 -0.191 1.00 0.00 N ATOM 819 CA GLN A 52 -2.485 6.245 0.896 1.00 0.00 C ATOM 820 C GLN A 52 -1.392 5.188 0.667 1.00 0.00 C ATOM 821 O GLN A 52 -0.776 4.716 1.620 1.00 0.00 O ATOM 822 CB GLN A 52 -3.857 5.569 1.040 1.00 0.00 C ATOM 823 CG GLN A 52 -3.872 4.369 1.980 1.00 0.00 C ATOM 824 CD GLN A 52 -4.923 4.488 3.071 1.00 0.00 C ATOM 825 OE1 GLN A 52 -4.616 4.855 4.206 1.00 0.00 O ATOM 826 NE2 GLN A 52 -6.171 4.178 2.734 1.00 0.00 N ATOM 0 H GLN A 52 -3.464 7.387 -0.561 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.241 6.774 1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.576 6.306 1.399 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.195 5.248 0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.056 3.463 1.402 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.889 4.261 2.439 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.383 3.878 1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.917 4.240 3.427 1.00 0.00 H new ATOM 835 N ALA A 53 -1.159 4.816 -0.592 1.00 0.00 N ATOM 836 CA ALA A 53 -0.144 3.811 -0.916 1.00 0.00 C ATOM 837 C ALA A 53 1.274 4.394 -0.908 1.00 0.00 C ATOM 838 O ALA A 53 2.161 3.866 -0.238 1.00 0.00 O ATOM 839 CB ALA A 53 -0.440 3.160 -2.261 1.00 0.00 C ATOM 0 H ALA A 53 -1.655 5.192 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.189 3.051 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.326 2.417 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.416 2.675 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.443 3.921 -3.041 1.00 0.00 H new ATOM 845 N VAL A 54 1.489 5.467 -1.674 1.00 0.00 N ATOM 846 CA VAL A 54 2.813 6.097 -1.765 1.00 0.00 C ATOM 847 C VAL A 54 3.312 6.594 -0.405 1.00 0.00 C ATOM 848 O VAL A 54 4.509 6.523 -0.130 1.00 0.00 O ATOM 849 CB VAL A 54 2.856 7.254 -2.789 1.00 0.00 C ATOM 850 CG1 VAL A 54 2.170 6.859 -4.093 1.00 0.00 C ATOM 851 CG2 VAL A 54 2.250 8.533 -2.220 1.00 0.00 C ATOM 0 H VAL A 54 0.768 5.917 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 54 3.481 5.311 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 54 3.905 7.457 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.215 7.692 -4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.676 5.994 -4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.128 6.608 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.299 9.323 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.210 8.353 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.808 8.838 -1.335 1.00 0.00 H new ATOM 861 N LYS A 55 2.401 7.053 0.465 1.00 0.00 N ATOM 862 CA LYS A 55 2.796 7.497 1.807 1.00 0.00 C ATOM 863 C LYS A 55 3.552 6.355 2.480 1.00 0.00 C ATOM 864 O LYS A 55 4.575 6.552 3.138 1.00 0.00 O ATOM 865 CB LYS A 55 1.570 7.866 2.666 1.00 0.00 C ATOM 866 CG LYS A 55 0.710 9.013 2.132 1.00 0.00 C ATOM 867 CD LYS A 55 1.494 9.984 1.257 1.00 0.00 C ATOM 868 CE LYS A 55 0.704 11.255 0.980 1.00 0.00 C ATOM 869 NZ LYS A 55 1.444 12.191 0.088 1.00 0.00 N ATOM 0 H LYS A 55 1.403 7.126 0.268 1.00 0.00 H new ATOM 0 HA LYS A 55 3.419 8.386 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.941 6.982 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.915 8.129 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.119 8.601 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.277 9.557 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.433 10.239 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.748 9.500 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.250 10.996 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.479 11.754 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.406 13.152 0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.436 11.887 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.008 12.189 -0.856 1.00 0.00 H new ATOM 883 N LYS A 56 3.018 5.152 2.270 1.00 0.00 N ATOM 884 CA LYS A 56 3.596 3.927 2.805 1.00 0.00 C ATOM 885 C LYS A 56 4.912 3.639 2.099 1.00 0.00 C ATOM 886 O LYS A 56 5.891 3.238 2.730 1.00 0.00 O ATOM 887 CB LYS A 56 2.610 2.762 2.660 1.00 0.00 C ATOM 888 CG LYS A 56 1.629 2.629 3.828 1.00 0.00 C ATOM 889 CD LYS A 56 1.405 3.954 4.571 1.00 0.00 C ATOM 890 CE LYS A 56 -0.025 4.476 4.455 1.00 0.00 C ATOM 891 NZ LYS A 56 -1.043 3.385 4.419 1.00 0.00 N ATOM 0 H LYS A 56 2.170 5.003 1.722 1.00 0.00 H new ATOM 0 HA LYS A 56 3.797 4.051 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.045 2.890 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.172 1.833 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.673 2.262 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.005 1.884 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.651 3.818 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.091 4.704 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.235 5.134 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.114 5.078 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.947 3.741 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.175 3.065 3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.718 2.588 5.002 1.00 0.00 H new ATOM 905 N LEU A 57 4.939 3.873 0.785 1.00 0.00 N ATOM 906 CA LEU A 57 6.145 3.673 -0.014 1.00 0.00 C ATOM 907 C LEU A 57 7.272 4.581 0.472 1.00 0.00 C ATOM 908 O LEU A 57 8.422 4.157 0.593 1.00 0.00 O ATOM 909 CB LEU A 57 5.847 3.958 -1.489 1.00 0.00 C ATOM 910 CG LEU A 57 6.929 3.543 -2.494 1.00 0.00 C ATOM 911 CD1 LEU A 57 7.852 2.459 -1.944 1.00 0.00 C ATOM 912 CD2 LEU A 57 6.296 3.081 -3.796 1.00 0.00 C ATOM 0 H LEU A 57 4.134 4.203 0.252 1.00 0.00 H new ATOM 0 HA LEU A 57 6.464 2.636 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.920 3.450 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.668 5.027 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 57 7.542 4.424 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.599 2.202 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.350 2.826 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.266 1.574 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.078 2.790 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.647 2.227 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.709 3.894 -4.224 1.00 0.00 H new ATOM 924 N VAL A 58 6.924 5.833 0.762 1.00 0.00 N ATOM 925 CA VAL A 58 7.892 6.811 1.250 1.00 0.00 C ATOM 926 C VAL A 58 8.326 6.483 2.674 1.00 0.00 C ATOM 927 O VAL A 58 9.451 6.783 3.081 1.00 0.00 O ATOM 928 CB VAL A 58 7.306 8.242 1.244 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.273 9.245 1.872 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.939 8.660 -0.165 1.00 0.00 C ATOM 0 H VAL A 58 5.975 6.194 0.667 1.00 0.00 H new ATOM 0 HA VAL A 58 8.748 6.765 0.576 1.00 0.00 H new ATOM 0 HB VAL A 58 6.400 8.234 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.829 10.240 1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.474 8.959 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.206 9.252 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.528 9.670 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.829 8.640 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.195 7.972 -0.567 1.00 0.00 H new ATOM 940 N LYS A 59 7.408 5.894 3.432 1.00 0.00 N ATOM 941 CA LYS A 59 7.644 5.546 4.814 1.00 0.00 C ATOM 942 C LYS A 59 8.858 4.627 4.980 1.00 0.00 C ATOM 943 O LYS A 59 9.602 4.752 5.954 1.00 0.00 O ATOM 944 CB LYS A 59 6.380 4.895 5.387 1.00 0.00 C ATOM 945 CG LYS A 59 6.596 4.138 6.690 1.00 0.00 C ATOM 946 CD LYS A 59 6.736 2.641 6.441 1.00 0.00 C ATOM 947 CE LYS A 59 5.386 1.932 6.438 1.00 0.00 C ATOM 948 NZ LYS A 59 4.767 1.897 7.794 1.00 0.00 N ATOM 0 H LYS A 59 6.477 5.646 3.096 1.00 0.00 H new ATOM 0 HA LYS A 59 7.871 6.458 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.630 5.669 5.551 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.972 4.208 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.491 4.512 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.758 4.321 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.233 2.478 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.373 2.204 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.713 2.438 5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.513 0.913 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.039 1.155 7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.499 1.694 8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.331 2.818 8.000 1.00 0.00 H new ATOM 962 N ARG A 60 9.053 3.708 4.029 1.00 0.00 N ATOM 963 CA ARG A 60 10.182 2.776 4.083 1.00 0.00 C ATOM 964 C ARG A 60 11.491 3.526 4.293 1.00 0.00 C ATOM 965 O ARG A 60 12.083 3.470 5.371 1.00 0.00 O ATOM 966 CB ARG A 60 10.276 1.964 2.784 1.00 0.00 C ATOM 967 CG ARG A 60 9.634 0.587 2.839 1.00 0.00 C ATOM 968 CD ARG A 60 9.837 -0.152 1.530 1.00 0.00 C ATOM 969 NE ARG A 60 11.253 -0.331 1.196 1.00 0.00 N ATOM 970 CZ ARG A 60 11.696 -0.765 0.011 1.00 0.00 C ATOM 971 NH1 ARG A 60 10.841 -1.066 -0.963 1.00 0.00 N ATOM 972 NH2 ARG A 60 13.000 -0.898 -0.198 1.00 0.00 N ATOM 0 H ARG A 60 8.447 3.590 3.217 1.00 0.00 H new ATOM 0 HA ARG A 60 10.013 2.101 4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.808 2.535 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.327 1.848 2.521 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.066 0.012 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.568 0.685 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.356 -1.128 1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.345 0.397 0.727 1.00 0.00 H new ATOM 0 HE ARG A 60 11.944 -0.111 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.838 -0.967 -0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.189 -1.396 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.661 -0.669 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.341 -1.229 -1.101 1.00 0.00 H new ATOM 986 N ALA A 61 11.928 4.222 3.243 1.00 0.00 N ATOM 987 CA ALA A 61 13.168 4.995 3.263 1.00 0.00 C ATOM 988 C ALA A 61 14.343 4.167 3.802 1.00 0.00 C ATOM 989 O ALA A 61 15.074 3.546 3.030 1.00 0.00 O ATOM 990 CB ALA A 61 12.987 6.284 4.060 1.00 0.00 C ATOM 0 H ALA A 61 11.430 4.265 2.354 1.00 0.00 H new ATOM 0 HA ALA A 61 13.409 5.263 2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.922 6.845 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.203 6.888 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.707 6.042 5.085 1.00 0.00 H new ATOM 996 N ALA A 62 14.514 4.156 5.129 1.00 0.00 N ATOM 997 CA ALA A 62 15.587 3.399 5.763 1.00 0.00 C ATOM 998 C ALA A 62 15.195 1.929 5.919 1.00 0.00 C ATOM 999 O ALA A 62 14.093 1.531 5.536 1.00 0.00 O ATOM 1000 CB ALA A 62 15.935 4.010 7.116 1.00 0.00 C ATOM 0 H ALA A 62 13.919 4.666 5.782 1.00 0.00 H new ATOM 0 HA ALA A 62 16.468 3.447 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 62 16.737 3.436 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.260 5.041 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 62 15.056 3.991 7.761 1.00 0.00 H new ATOM 1006 N GLY A 63 16.100 1.125 6.480 1.00 0.00 N ATOM 1007 CA GLY A 63 15.824 -0.291 6.672 1.00 0.00 C ATOM 1008 C GLY A 63 14.990 -0.566 7.912 1.00 0.00 C ATOM 1009 O GLY A 63 15.495 -1.114 8.893 1.00 0.00 O ATOM 0 H GLY A 63 17.018 1.429 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.302 -0.677 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.767 -0.833 6.746 1.00 0.00 H new ATOM 1013 N GLN A 64 13.707 -0.190 7.867 1.00 0.00 N ATOM 1014 CA GLN A 64 12.800 -0.404 8.995 1.00 0.00 C ATOM 1015 C GLN A 64 11.761 -1.469 8.657 1.00 0.00 C ATOM 1016 O GLN A 64 11.997 -2.659 8.877 1.00 0.00 O ATOM 1017 CB GLN A 64 12.128 0.916 9.405 1.00 0.00 C ATOM 1018 CG GLN A 64 13.078 1.912 10.056 1.00 0.00 C ATOM 1019 CD GLN A 64 13.314 1.625 11.530 1.00 0.00 C ATOM 1020 OE1 GLN A 64 14.272 0.945 11.894 1.00 0.00 O ATOM 1021 NE2 GLN A 64 12.438 2.143 12.386 1.00 0.00 N ATOM 0 H GLN A 64 13.276 0.263 7.061 1.00 0.00 H new ATOM 0 HA GLN A 64 13.383 -0.763 9.843 1.00 0.00 H new ATOM 0 HB2 GLN A 64 11.683 1.376 8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.314 0.699 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.032 1.894 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.673 2.918 9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.657 2.701 12.041 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.547 1.982 13.387 1.00 0.00 H new ATOM 1030 N ASP A 65 10.622 -1.051 8.100 1.00 0.00 N ATOM 1031 CA ASP A 65 9.575 -1.992 7.711 1.00 0.00 C ATOM 1032 C ASP A 65 10.021 -2.793 6.493 1.00 0.00 C ATOM 1033 O ASP A 65 9.450 -3.842 6.195 1.00 0.00 O ATOM 1034 CB ASP A 65 8.264 -1.252 7.416 1.00 0.00 C ATOM 1035 CG ASP A 65 7.038 -2.069 7.782 1.00 0.00 C ATOM 1036 OD1 ASP A 65 6.750 -3.058 7.075 1.00 0.00 O ATOM 1037 OD2 ASP A 65 6.364 -1.719 8.774 1.00 0.00 O ATOM 0 H ASP A 65 10.404 -0.073 7.910 1.00 0.00 H new ATOM 0 HA ASP A 65 9.398 -2.679 8.539 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.249 -0.313 7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.224 -0.999 6.357 1.00 0.00 H new ATOM 1042 N ASP A 66 11.067 -2.298 5.814 1.00 0.00 N ATOM 1043 CA ASP A 66 11.639 -2.954 4.633 1.00 0.00 C ATOM 1044 C ASP A 66 10.627 -3.132 3.492 1.00 0.00 C ATOM 1045 O ASP A 66 10.889 -2.713 2.365 1.00 0.00 O ATOM 1046 CB ASP A 66 12.240 -4.309 5.017 1.00 0.00 C ATOM 1047 CG ASP A 66 13.752 -4.269 5.126 1.00 0.00 C ATOM 1048 OD1 ASP A 66 14.428 -4.524 4.107 1.00 0.00 O ATOM 1049 OD2 ASP A 66 14.260 -3.981 6.231 1.00 0.00 O ATOM 0 H ASP A 66 11.539 -1.431 6.070 1.00 0.00 H new ATOM 0 HA ASP A 66 12.422 -2.294 4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.820 -4.631 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.953 -5.053 4.274 1.00 0.00 H new ATOM 1054 N VAL A 67 9.495 -3.783 3.782 1.00 0.00 N ATOM 1055 CA VAL A 67 8.457 -4.055 2.781 1.00 0.00 C ATOM 1056 C VAL A 67 9.100 -4.466 1.455 1.00 0.00 C ATOM 1057 O VAL A 67 9.122 -3.716 0.476 1.00 0.00 O ATOM 1058 CB VAL A 67 7.494 -2.864 2.593 1.00 0.00 C ATOM 1059 CG1 VAL A 67 6.109 -3.362 2.195 1.00 0.00 C ATOM 1060 CG2 VAL A 67 7.421 -2.048 3.873 1.00 0.00 C ATOM 0 H VAL A 67 9.273 -4.135 4.713 1.00 0.00 H new ATOM 0 HA VAL A 67 7.851 -4.883 3.149 1.00 0.00 H new ATOM 0 HB VAL A 67 7.872 -2.226 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.440 -2.511 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.177 -3.916 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.719 -4.015 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.739 -1.209 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.058 -2.677 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.413 -1.671 4.121 1.00 0.00 H new ATOM 1070 N PRO A 68 9.657 -5.685 1.457 1.00 0.00 N ATOM 1071 CA PRO A 68 10.355 -6.281 0.315 1.00 0.00 C ATOM 1072 C PRO A 68 9.423 -6.980 -0.677 1.00 0.00 C ATOM 1073 O PRO A 68 8.854 -8.030 -0.374 1.00 0.00 O ATOM 1074 CB PRO A 68 11.268 -7.299 0.998 1.00 0.00 C ATOM 1075 CG PRO A 68 10.491 -7.752 2.192 1.00 0.00 C ATOM 1076 CD PRO A 68 9.651 -6.575 2.625 1.00 0.00 C ATOM 0 HA PRO A 68 10.866 -5.532 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.500 -8.133 0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.217 -6.849 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.863 -8.608 1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.159 -8.068 2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.639 -6.882 2.887 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.073 -6.085 3.502 1.00 0.00 H new ATOM 1084 N GLY A 69 9.287 -6.397 -1.869 1.00 0.00 N ATOM 1085 CA GLY A 69 8.442 -6.980 -2.901 1.00 0.00 C ATOM 1086 C GLY A 69 6.950 -6.900 -2.608 1.00 0.00 C ATOM 1087 O GLY A 69 6.141 -7.348 -3.418 1.00 0.00 O ATOM 0 H GLY A 69 9.749 -5.528 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.642 -6.475 -3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.719 -8.026 -3.033 1.00 0.00 H new ATOM 1091 N ASP A 70 6.578 -6.345 -1.451 1.00 0.00 N ATOM 1092 CA ASP A 70 5.168 -6.230 -1.075 1.00 0.00 C ATOM 1093 C ASP A 70 4.652 -4.812 -1.287 1.00 0.00 C ATOM 1094 O ASP A 70 3.484 -4.625 -1.616 1.00 0.00 O ATOM 1095 CB ASP A 70 4.962 -6.655 0.384 1.00 0.00 C ATOM 1096 CG ASP A 70 5.147 -8.148 0.586 1.00 0.00 C ATOM 1097 OD1 ASP A 70 4.164 -8.898 0.408 1.00 0.00 O ATOM 1098 OD2 ASP A 70 6.276 -8.566 0.922 1.00 0.00 O ATOM 0 H ASP A 70 7.231 -5.970 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 70 4.598 -6.898 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.665 -6.116 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.960 -6.370 0.704 1.00 0.00 H new ATOM 1103 N LEU A 71 5.526 -3.819 -1.121 1.00 0.00 N ATOM 1104 CA LEU A 71 5.148 -2.426 -1.323 1.00 0.00 C ATOM 1105 C LEU A 71 5.111 -2.130 -2.814 1.00 0.00 C ATOM 1106 O LEU A 71 4.078 -1.742 -3.360 1.00 0.00 O ATOM 1107 CB LEU A 71 6.164 -1.514 -0.628 1.00 0.00 C ATOM 1108 CG LEU A 71 5.643 -0.170 -0.115 1.00 0.00 C ATOM 1109 CD1 LEU A 71 4.289 -0.308 0.580 1.00 0.00 C ATOM 1110 CD2 LEU A 71 6.675 0.434 0.823 1.00 0.00 C ATOM 0 H LEU A 71 6.499 -3.956 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 71 4.162 -2.244 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.589 -2.058 0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.979 -1.319 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 71 5.488 0.491 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.957 0.670 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.559 -0.710 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.384 -0.983 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.313 1.393 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.842 -0.240 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.612 0.584 0.286 1.00 0.00 H new ATOM 1122 N ARG A 72 6.253 -2.344 -3.462 1.00 0.00 N ATOM 1123 CA ARG A 72 6.381 -2.137 -4.901 1.00 0.00 C ATOM 1124 C ARG A 72 5.314 -2.938 -5.648 1.00 0.00 C ATOM 1125 O ARG A 72 4.536 -2.380 -6.417 1.00 0.00 O ATOM 1126 CB ARG A 72 7.776 -2.545 -5.367 1.00 0.00 C ATOM 1127 CG ARG A 72 8.075 -2.195 -6.811 1.00 0.00 C ATOM 1128 CD ARG A 72 8.214 -3.439 -7.673 1.00 0.00 C ATOM 1129 NE ARG A 72 9.469 -4.151 -7.416 1.00 0.00 N ATOM 1130 CZ ARG A 72 9.705 -5.416 -7.781 1.00 0.00 C ATOM 1131 NH1 ARG A 72 8.777 -6.122 -8.422 1.00 0.00 N ATOM 1132 NH2 ARG A 72 10.877 -5.975 -7.502 1.00 0.00 N ATOM 0 H ARG A 72 7.109 -2.663 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 72 6.235 -1.079 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.516 -2.064 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.891 -3.621 -5.234 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.277 -1.566 -7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.995 -1.612 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.374 -4.107 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.166 -3.158 -8.725 1.00 0.00 H new ATOM 0 HE ARG A 72 10.210 -3.649 -6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.875 -5.699 -8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.968 -7.086 -8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.593 -5.440 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.061 -6.939 -7.779 1.00 0.00 H new ATOM 1146 N ALA A 73 5.297 -4.252 -5.413 1.00 0.00 N ATOM 1147 CA ALA A 73 4.330 -5.148 -6.060 1.00 0.00 C ATOM 1148 C ALA A 73 2.922 -4.601 -5.887 1.00 0.00 C ATOM 1149 O ALA A 73 2.059 -4.769 -6.750 1.00 0.00 O ATOM 1150 CB ALA A 73 4.429 -6.557 -5.493 1.00 0.00 C ATOM 0 H ALA A 73 5.943 -4.722 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 73 4.562 -5.199 -7.124 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.702 -7.201 -5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.433 -6.947 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.222 -6.534 -4.423 1.00 0.00 H new ATOM 1156 N LYS A 74 2.724 -3.911 -4.768 1.00 0.00 N ATOM 1157 CA LYS A 74 1.448 -3.284 -4.461 1.00 0.00 C ATOM 1158 C LYS A 74 1.278 -2.048 -5.333 1.00 0.00 C ATOM 1159 O LYS A 74 0.210 -1.805 -5.889 1.00 0.00 O ATOM 1160 CB LYS A 74 1.379 -2.890 -2.983 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.030 -2.913 -2.400 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.570 -4.332 -2.265 1.00 0.00 C ATOM 1163 CE LYS A 74 -1.927 -4.355 -1.577 1.00 0.00 C ATOM 1164 NZ LYS A 74 -2.479 -5.735 -1.476 1.00 0.00 N ATOM 0 H LYS A 74 3.440 -3.773 -4.055 1.00 0.00 H new ATOM 0 HA LYS A 74 0.646 -3.994 -4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.010 -3.567 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.794 -1.889 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.025 -2.433 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.696 -2.331 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.655 -4.784 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.136 -4.938 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.834 -3.928 -0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.624 -3.725 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.404 -5.705 -1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.592 -6.134 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.827 -6.330 -0.927 1.00 0.00 H new ATOM 1178 N VAL A 75 2.362 -1.280 -5.447 1.00 0.00 N ATOM 1179 CA VAL A 75 2.370 -0.063 -6.253 1.00 0.00 C ATOM 1180 C VAL A 75 2.275 -0.398 -7.735 1.00 0.00 C ATOM 1181 O VAL A 75 1.358 0.064 -8.415 1.00 0.00 O ATOM 1182 CB VAL A 75 3.633 0.786 -5.982 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.616 2.072 -6.803 1.00 0.00 C ATOM 1184 CG2 VAL A 75 3.748 1.092 -4.494 1.00 0.00 C ATOM 0 H VAL A 75 3.250 -1.483 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 75 1.498 0.524 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 75 4.507 0.212 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.516 2.650 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.583 1.826 -7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.737 2.660 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.641 1.690 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.868 1.646 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.818 0.159 -3.935 1.00 0.00 H new ATOM 1194 N MET A 76 3.219 -1.196 -8.242 1.00 0.00 N ATOM 1195 CA MET A 76 3.214 -1.578 -9.656 1.00 0.00 C ATOM 1196 C MET A 76 1.866 -2.178 -10.038 1.00 0.00 C ATOM 1197 O MET A 76 1.268 -1.797 -11.043 1.00 0.00 O ATOM 1198 CB MET A 76 4.336 -2.573 -9.947 1.00 0.00 C ATOM 1199 CG MET A 76 5.733 -2.014 -9.721 1.00 0.00 C ATOM 1200 SD MET A 76 6.842 -2.294 -11.118 1.00 0.00 S ATOM 1201 CE MET A 76 6.899 -4.084 -11.163 1.00 0.00 C ATOM 0 H MET A 76 3.990 -1.587 -7.700 1.00 0.00 H new ATOM 0 HA MET A 76 3.381 -0.683 -10.255 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.201 -3.452 -9.316 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.252 -2.907 -10.981 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.663 -0.943 -9.529 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.160 -2.470 -8.828 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.828 -4.407 -11.632 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.851 -4.475 -10.147 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.053 -4.461 -11.737 1.00 0.00 H new ATOM 1211 N GLY A 77 1.395 -3.113 -9.212 1.00 0.00 N ATOM 1212 CA GLY A 77 0.115 -3.755 -9.452 1.00 0.00 C ATOM 1213 C GLY A 77 -1.030 -2.763 -9.455 1.00 0.00 C ATOM 1214 O GLY A 77 -2.004 -2.941 -10.186 1.00 0.00 O ATOM 0 H GLY A 77 1.882 -3.437 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.145 -4.276 -10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.061 -4.509 -8.685 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.897 -1.693 -8.660 1.00 0.00 N ATOM 1219 CA ARG A 78 -1.909 -0.653 -8.606 1.00 0.00 C ATOM 1220 C ARG A 78 -1.821 0.182 -9.869 1.00 0.00 C ATOM 1221 O ARG A 78 -2.842 0.517 -10.463 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.714 0.237 -7.384 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.116 -0.422 -6.071 1.00 0.00 C ATOM 1224 CD ARG A 78 -3.538 -0.066 -5.674 1.00 0.00 C ATOM 1225 NE ARG A 78 -3.953 -0.743 -4.443 1.00 0.00 N ATOM 1226 CZ ARG A 78 -4.969 -0.346 -3.670 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -5.682 0.731 -3.985 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -5.271 -1.034 -2.575 1.00 0.00 N ATOM 0 H ARG A 78 -0.096 -1.533 -8.049 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.892 -1.119 -8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.666 0.533 -7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.296 1.149 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.025 -1.504 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.430 -0.111 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.617 1.013 -5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.218 -0.336 -6.482 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.432 -1.572 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.456 1.264 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.455 1.024 -3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.729 -1.861 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.045 -0.735 -1.982 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.587 0.484 -10.304 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.410 1.240 -11.535 1.00 0.00 C ATOM 1244 C LEU A 79 -1.019 0.426 -12.659 1.00 0.00 C ATOM 1245 O LEU A 79 -1.897 0.898 -13.376 1.00 0.00 O ATOM 1246 CB LEU A 79 1.066 1.533 -11.834 1.00 0.00 C ATOM 1247 CG LEU A 79 1.370 1.955 -13.287 1.00 0.00 C ATOM 1248 CD1 LEU A 79 0.363 2.988 -13.783 1.00 0.00 C ATOM 1249 CD2 LEU A 79 2.787 2.494 -13.410 1.00 0.00 C ATOM 0 H LEU A 79 0.277 0.220 -9.830 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.901 2.208 -11.434 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.406 2.323 -11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.651 0.643 -11.601 1.00 0.00 H new ATOM 0 HG LEU A 79 1.283 1.068 -13.914 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.603 3.266 -14.809 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.641 2.564 -13.747 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.406 3.873 -13.148 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.977 2.785 -14.443 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.904 3.362 -12.761 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.497 1.722 -13.114 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.549 -0.815 -12.792 1.00 0.00 N ATOM 1262 CA ASP A 80 -1.051 -1.729 -13.811 1.00 0.00 C ATOM 1263 C ASP A 80 -2.581 -1.754 -13.777 1.00 0.00 C ATOM 1264 O ASP A 80 -3.235 -1.923 -14.808 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.484 -3.137 -13.575 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.967 -4.152 -14.596 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -0.305 -4.298 -15.645 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.006 -4.798 -14.346 1.00 0.00 O ATOM 0 H ASP A 80 0.183 -1.209 -12.201 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.729 -1.385 -14.794 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.605 -3.093 -13.602 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.765 -3.473 -12.577 1.00 0.00 H new ATOM 1273 N LEU A 81 -3.139 -1.533 -12.580 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.575 -1.470 -12.381 1.00 0.00 C ATOM 1275 C LEU A 81 -5.096 -0.144 -12.897 1.00 0.00 C ATOM 1276 O LEU A 81 -6.111 -0.066 -13.584 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.864 -1.536 -10.889 1.00 0.00 C ATOM 1278 CG LEU A 81 -6.081 -2.356 -10.495 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -6.266 -2.310 -8.988 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -7.309 -1.821 -11.213 1.00 0.00 C ATOM 0 H LEU A 81 -2.598 -1.394 -11.727 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.053 -2.296 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.990 -1.949 -10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.996 -0.520 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.936 -3.396 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.140 -2.899 -8.711 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.382 -2.720 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.409 -1.277 -8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.181 -2.410 -10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.468 -0.779 -10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.159 -1.890 -12.290 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.358 0.891 -12.527 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.677 2.264 -12.903 1.00 0.00 C ATOM 1294 C ILE A 82 -4.604 2.443 -14.422 1.00 0.00 C ATOM 1295 O ILE A 82 -5.566 2.887 -15.051 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.727 3.266 -12.200 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -4.056 3.340 -10.704 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.815 4.649 -12.834 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -2.865 3.667 -9.832 1.00 0.00 C ATOM 0 H ILE A 82 -3.518 0.805 -11.955 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.697 2.470 -12.578 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.704 2.909 -12.322 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.827 4.095 -10.548 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.476 2.386 -10.386 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.137 5.329 -12.319 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.536 4.586 -13.886 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.836 5.023 -12.752 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.177 3.702 -8.788 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.101 2.900 -9.957 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.457 4.636 -10.121 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.454 2.097 -14.999 1.00 0.00 N ATOM 1312 CA ARG A 83 -3.232 2.212 -16.441 1.00 0.00 C ATOM 1313 C ARG A 83 -4.210 1.347 -17.247 1.00 0.00 C ATOM 1314 O ARG A 83 -4.546 1.682 -18.384 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.781 1.834 -16.767 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.410 0.394 -16.437 1.00 0.00 C ATOM 1317 CD ARG A 83 -0.981 -0.354 -17.685 1.00 0.00 C ATOM 1318 NE ARG A 83 -1.191 -1.798 -17.568 1.00 0.00 N ATOM 1319 CZ ARG A 83 -1.141 -2.649 -18.598 1.00 0.00 C ATOM 1320 NH1 ARG A 83 -0.883 -2.212 -19.829 1.00 0.00 N ATOM 1321 NH2 ARG A 83 -1.347 -3.945 -18.395 1.00 0.00 N ATOM 0 H ARG A 83 -2.653 1.731 -14.484 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.414 3.247 -16.729 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.605 2.006 -17.829 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.114 2.501 -16.221 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.603 0.381 -15.705 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.262 -0.110 -15.981 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.539 0.024 -18.542 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.073 -0.157 -17.879 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.388 -2.179 -16.642 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.721 -1.219 -19.994 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.847 -2.871 -20.607 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.543 -4.289 -17.455 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.309 -4.596 -19.179 1.00 0.00 H new ATOM 1335 N SER A 84 -4.656 0.234 -16.657 1.00 0.00 N ATOM 1336 CA SER A 84 -5.584 -0.676 -17.323 1.00 0.00 C ATOM 1337 C SER A 84 -6.910 -0.813 -16.558 1.00 0.00 C ATOM 1338 O SER A 84 -7.568 -1.853 -16.636 1.00 0.00 O ATOM 1339 CB SER A 84 -4.931 -2.052 -17.493 1.00 0.00 C ATOM 1340 OG SER A 84 -5.571 -2.800 -18.513 1.00 0.00 O ATOM 0 H SER A 84 -4.387 -0.056 -15.717 1.00 0.00 H new ATOM 0 HA SER A 84 -5.815 -0.254 -18.301 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.876 -1.929 -17.736 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.980 -2.599 -16.552 1.00 0.00 H new ATOM 0 HG SER A 84 -6.534 -2.837 -18.336 1.00 0.00 H new ATOM 1346 N GLY A 85 -7.300 0.232 -15.821 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.544 0.185 -15.064 1.00 0.00 C ATOM 1348 C GLY A 85 -8.668 1.317 -14.055 1.00 0.00 C ATOM 1349 O GLY A 85 -7.771 2.152 -13.936 1.00 0.00 O ATOM 0 H GLY A 85 -6.779 1.105 -15.736 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.386 0.228 -15.755 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.609 -0.769 -14.541 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.794 1.350 -13.334 1.00 0.00 N ATOM 1354 CA GLN A 86 -10.050 2.387 -12.340 1.00 0.00 C ATOM 1355 C GLN A 86 -10.278 1.807 -10.936 1.00 0.00 C ATOM 1356 O GLN A 86 -9.925 2.439 -9.939 1.00 0.00 O ATOM 1357 CB GLN A 86 -11.262 3.220 -12.769 1.00 0.00 C ATOM 1358 CG GLN A 86 -12.600 2.514 -12.582 1.00 0.00 C ATOM 1359 CD GLN A 86 -13.697 3.093 -13.459 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -13.955 2.598 -14.556 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -14.351 4.148 -12.979 1.00 0.00 N ATOM 0 H GLN A 86 -10.544 0.664 -13.424 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.163 3.019 -12.285 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.271 4.149 -12.199 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.150 3.491 -13.819 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.481 1.454 -12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.901 2.585 -11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.106 4.527 -12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.098 4.577 -13.526 1.00 0.00 H new ATOM 1370 N SER A 87 -10.883 0.616 -10.863 1.00 0.00 N ATOM 1371 CA SER A 87 -11.173 -0.036 -9.580 1.00 0.00 C ATOM 1372 C SER A 87 -9.914 -0.195 -8.723 1.00 0.00 C ATOM 1373 O SER A 87 -8.816 -0.382 -9.245 1.00 0.00 O ATOM 1374 CB SER A 87 -11.818 -1.405 -9.814 1.00 0.00 C ATOM 1375 OG SER A 87 -12.328 -1.946 -8.608 1.00 0.00 O ATOM 0 H SER A 87 -11.182 0.083 -11.679 1.00 0.00 H new ATOM 0 HA SER A 87 -11.867 0.606 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.624 -1.310 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.083 -2.088 -10.239 1.00 0.00 H new ATOM 0 HG SER A 87 -12.735 -2.819 -8.788 1.00 0.00 H new ATOM 1381 N VAL A 88 -10.089 -0.123 -7.399 1.00 0.00 N ATOM 1382 CA VAL A 88 -8.977 -0.261 -6.457 1.00 0.00 C ATOM 1383 C VAL A 88 -9.478 -0.754 -5.098 1.00 0.00 C ATOM 1384 O VAL A 88 -9.630 0.020 -4.150 1.00 0.00 O ATOM 1385 CB VAL A 88 -8.206 1.068 -6.278 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -7.048 1.170 -7.263 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -9.153 2.248 -6.429 1.00 0.00 C ATOM 0 H VAL A 88 -10.995 0.031 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.291 -0.997 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.785 1.087 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.525 2.115 -7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.357 0.343 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.432 1.126 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.599 3.178 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.604 2.228 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.936 2.185 -5.673 1.00 0.00 H new ATOM 1397 N PRO A 89 -9.770 -2.060 -5.013 1.00 0.00 N ATOM 1398 CA PRO A 89 -10.289 -2.714 -3.821 1.00 0.00 C ATOM 1399 C PRO A 89 -9.195 -3.334 -2.945 1.00 0.00 C ATOM 1400 O PRO A 89 -8.027 -3.385 -3.337 1.00 0.00 O ATOM 1401 CB PRO A 89 -11.193 -3.811 -4.417 1.00 0.00 C ATOM 1402 CG PRO A 89 -10.855 -3.876 -5.884 1.00 0.00 C ATOM 1403 CD PRO A 89 -9.660 -3.017 -6.099 1.00 0.00 C ATOM 0 HA PRO A 89 -10.796 -2.015 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.013 -4.771 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.246 -3.572 -4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.650 -4.903 -6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.693 -3.527 -6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.733 -3.588 -6.046 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -9.679 -2.530 -7.074 1.00 0.00 H new ATOM 1411 N GLU A 90 -9.599 -3.824 -1.764 1.00 0.00 N ATOM 1412 CA GLU A 90 -8.689 -4.471 -0.812 1.00 0.00 C ATOM 1413 C GLU A 90 -7.518 -3.573 -0.398 1.00 0.00 C ATOM 1414 O GLU A 90 -7.176 -2.612 -1.088 1.00 0.00 O ATOM 1415 CB GLU A 90 -8.171 -5.782 -1.395 1.00 0.00 C ATOM 1416 CG GLU A 90 -9.265 -6.788 -1.704 1.00 0.00 C ATOM 1417 CD GLU A 90 -9.588 -7.691 -0.528 1.00 0.00 C ATOM 1418 OE1 GLU A 90 -10.469 -7.324 0.279 1.00 0.00 O ATOM 1419 OE2 GLU A 90 -8.960 -8.765 -0.415 1.00 0.00 O ATOM 0 H GLU A 90 -10.566 -3.782 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.264 -4.670 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.617 -5.569 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.467 -6.229 -0.693 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.167 -6.255 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.959 -7.400 -2.552 1.00 0.00 H new ATOM 1426 N HIS A 91 -6.910 -3.906 0.745 1.00 0.00 N ATOM 1427 CA HIS A 91 -5.774 -3.152 1.281 1.00 0.00 C ATOM 1428 C HIS A 91 -5.136 -3.911 2.448 1.00 0.00 C ATOM 1429 O HIS A 91 -5.640 -3.873 3.572 1.00 0.00 O ATOM 1430 CB HIS A 91 -6.221 -1.754 1.739 1.00 0.00 C ATOM 1431 CG HIS A 91 -5.614 -0.629 0.953 1.00 0.00 C ATOM 1432 ND1 HIS A 91 -4.346 -0.431 0.516 1.00 0.00 N flip ATOM 1433 CD2 HIS A 91 -6.335 0.469 0.532 1.00 0.00 C flip ATOM 1434 CE1 HIS A 91 -4.329 0.768 -0.152 1.00 0.00 C flip ATOM 1435 NE2 HIS A 91 -5.540 1.291 -0.129 1.00 0.00 N flip ATOM 0 H HIS A 91 -7.189 -4.700 1.321 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.033 -3.037 0.490 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.307 -1.689 1.666 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.964 -1.628 2.791 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.387 0.631 0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.463 1.212 -0.621 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -5.815 2.178 -0.550 1.00 0.00 H new ATOM 1444 N ASP A 92 -4.032 -4.612 2.169 1.00 0.00 N ATOM 1445 CA ASP A 92 -3.332 -5.393 3.194 1.00 0.00 C ATOM 1446 C ASP A 92 -1.933 -4.849 3.464 1.00 0.00 C ATOM 1447 O ASP A 92 -1.479 -4.830 4.609 1.00 0.00 O ATOM 1448 CB ASP A 92 -3.210 -6.852 2.771 1.00 0.00 C ATOM 1449 CG ASP A 92 -4.550 -7.561 2.712 1.00 0.00 C ATOM 1450 OD1 ASP A 92 -5.188 -7.538 1.638 1.00 0.00 O ATOM 1451 OD2 ASP A 92 -4.961 -8.142 3.739 1.00 0.00 O ATOM 0 H ASP A 92 -3.605 -4.655 1.244 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.925 -5.315 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.734 -6.903 1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.558 -7.375 3.470 1.00 0.00 H new ATOM 1456 N VAL A 93 -1.241 -4.433 2.405 1.00 0.00 N ATOM 1457 CA VAL A 93 0.116 -3.917 2.538 1.00 0.00 C ATOM 1458 C VAL A 93 0.137 -2.445 2.957 1.00 0.00 C ATOM 1459 O VAL A 93 1.205 -1.888 3.221 1.00 0.00 O ATOM 1460 CB VAL A 93 0.922 -4.121 1.242 1.00 0.00 C ATOM 1461 CG1 VAL A 93 2.356 -3.641 1.420 1.00 0.00 C ATOM 1462 CG2 VAL A 93 0.886 -5.591 0.839 1.00 0.00 C ATOM 0 H VAL A 93 -1.598 -4.444 1.449 1.00 0.00 H new ATOM 0 HA VAL A 93 0.591 -4.491 3.334 1.00 0.00 H new ATOM 0 HB VAL A 93 0.470 -3.529 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.909 -3.794 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.356 -2.580 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.831 -4.205 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.458 -5.731 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.321 -6.197 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.147 -5.898 0.673 1.00 0.00 H new ATOM 1472 N ALA A 94 -1.042 -1.824 3.065 1.00 0.00 N ATOM 1473 CA ALA A 94 -1.130 -0.431 3.504 1.00 0.00 C ATOM 1474 C ALA A 94 -0.697 -0.299 4.973 1.00 0.00 C ATOM 1475 O ALA A 94 -0.642 0.808 5.508 1.00 0.00 O ATOM 1476 CB ALA A 94 -2.537 0.120 3.289 1.00 0.00 C ATOM 0 H ALA A 94 -1.940 -2.261 2.856 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.447 0.164 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.577 1.157 3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.789 0.070 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.251 -0.473 3.860 1.00 0.00 H new ATOM 1482 N ALA A 95 -0.399 -1.455 5.607 1.00 0.00 N ATOM 1483 CA ALA A 95 0.031 -1.547 7.015 1.00 0.00 C ATOM 1484 C ALA A 95 -0.926 -2.472 7.757 1.00 0.00 C ATOM 1485 O ALA A 95 -1.500 -2.107 8.785 1.00 0.00 O ATOM 1486 CB ALA A 95 0.098 -0.182 7.700 1.00 0.00 C ATOM 0 H ALA A 95 -0.452 -2.363 5.145 1.00 0.00 H new ATOM 0 HA ALA A 95 1.044 -1.950 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.420 -0.309 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.810 0.454 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.888 0.283 7.681 1.00 0.00 H new ATOM 1492 N ALA A 96 -1.124 -3.664 7.181 1.00 0.00 N ATOM 1493 CA ALA A 96 -2.051 -4.657 7.717 1.00 0.00 C ATOM 1494 C ALA A 96 -3.402 -4.004 8.048 1.00 0.00 C ATOM 1495 O ALA A 96 -3.924 -4.149 9.156 1.00 0.00 O ATOM 1496 CB ALA A 96 -1.456 -5.355 8.935 1.00 0.00 C ATOM 0 H ALA A 96 -0.645 -3.963 6.332 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.222 -5.418 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.165 -6.090 9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.531 -5.857 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.246 -4.618 9.710 1.00 0.00 H new ATOM 1502 N PRO A 97 -3.972 -3.258 7.076 1.00 0.00 N ATOM 1503 CA PRO A 97 -5.239 -2.553 7.214 1.00 0.00 C ATOM 1504 C PRO A 97 -6.414 -3.332 6.613 1.00 0.00 C ATOM 1505 O PRO A 97 -6.268 -4.499 6.242 1.00 0.00 O ATOM 1506 CB PRO A 97 -4.950 -1.274 6.413 1.00 0.00 C ATOM 1507 CG PRO A 97 -3.956 -1.668 5.371 1.00 0.00 C ATOM 1508 CD PRO A 97 -3.419 -3.023 5.741 1.00 0.00 C ATOM 0 HA PRO A 97 -5.538 -2.389 8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.860 -0.882 5.958 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.552 -0.490 7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.425 -1.698 4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.148 -0.938 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.739 -3.788 5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.329 -3.034 5.751 1.00 0.00 H new ATOM 1516 N SER A 98 -7.576 -2.680 6.518 1.00 0.00 N ATOM 1517 CA SER A 98 -8.774 -3.308 5.959 1.00 0.00 C ATOM 1518 C SER A 98 -9.475 -2.367 4.979 1.00 0.00 C ATOM 1519 O SER A 98 -9.411 -1.145 5.125 1.00 0.00 O ATOM 1520 CB SER A 98 -9.736 -3.710 7.082 1.00 0.00 C ATOM 1521 OG SER A 98 -10.106 -2.588 7.866 1.00 0.00 O ATOM 0 H SER A 98 -7.712 -1.716 6.822 1.00 0.00 H new ATOM 0 HA SER A 98 -8.468 -4.203 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.628 -4.168 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.265 -4.461 7.716 1.00 0.00 H new ATOM 0 HG SER A 98 -9.380 -1.930 7.858 1.00 0.00 H new ATOM 1527 N SER A 99 -10.145 -2.944 3.977 1.00 0.00 N ATOM 1528 CA SER A 99 -10.862 -2.159 2.969 1.00 0.00 C ATOM 1529 C SER A 99 -12.009 -1.357 3.592 1.00 0.00 C ATOM 1530 O SER A 99 -12.312 -0.249 3.147 1.00 0.00 O ATOM 1531 CB SER A 99 -11.403 -3.074 1.865 1.00 0.00 C ATOM 1532 OG SER A 99 -12.270 -4.061 2.398 1.00 0.00 O ATOM 0 H SER A 99 -10.206 -3.953 3.843 1.00 0.00 H new ATOM 0 HA SER A 99 -10.153 -1.454 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.937 -2.479 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.573 -3.556 1.349 1.00 0.00 H new ATOM 0 HG SER A 99 -12.603 -4.630 1.673 1.00 0.00 H new ATOM 1538 N SER A 100 -12.643 -1.925 4.623 1.00 0.00 N ATOM 1539 CA SER A 100 -13.758 -1.262 5.305 1.00 0.00 C ATOM 1540 C SER A 100 -13.261 -0.139 6.218 1.00 0.00 C ATOM 1541 O SER A 100 -13.841 0.947 6.246 1.00 0.00 O ATOM 1542 CB SER A 100 -14.565 -2.280 6.118 1.00 0.00 C ATOM 1543 OG SER A 100 -15.133 -3.270 5.278 1.00 0.00 O ATOM 0 H SER A 100 -12.403 -2.841 5.003 1.00 0.00 H new ATOM 0 HA SER A 100 -14.401 -0.821 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.919 -2.753 6.857 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.355 -1.767 6.667 1.00 0.00 H new ATOM 0 HG SER A 100 -15.641 -3.908 5.821 1.00 0.00 H new ATOM 1549 N ALA A 101 -12.187 -0.409 6.966 1.00 0.00 N ATOM 1550 CA ALA A 101 -11.614 0.577 7.883 1.00 0.00 C ATOM 1551 C ALA A 101 -10.088 0.627 7.762 1.00 0.00 C ATOM 1552 O ALA A 101 -9.373 0.070 8.599 1.00 0.00 O ATOM 1553 CB ALA A 101 -12.028 0.262 9.315 1.00 0.00 C ATOM 0 H ALA A 101 -11.697 -1.304 6.953 1.00 0.00 H new ATOM 0 HA ALA A 101 -12.000 1.560 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.596 1.001 9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.115 0.289 9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.669 -0.731 9.587 1.00 0.00 H new ATOM 1559 N PRO A 102 -9.564 1.295 6.709 1.00 0.00 N ATOM 1560 CA PRO A 102 -8.112 1.415 6.478 1.00 0.00 C ATOM 1561 C PRO A 102 -7.358 1.940 7.701 1.00 0.00 C ATOM 1562 O PRO A 102 -6.348 1.363 8.109 1.00 0.00 O ATOM 1563 CB PRO A 102 -8.023 2.414 5.321 1.00 0.00 C ATOM 1564 CG PRO A 102 -9.306 2.238 4.593 1.00 0.00 C ATOM 1565 CD PRO A 102 -10.338 1.982 5.654 1.00 0.00 C ATOM 0 HA PRO A 102 -7.654 0.449 6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.907 3.435 5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.168 2.205 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.553 3.127 4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.249 1.405 3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.782 2.909 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -11.154 1.362 5.283 1.00 0.00 H new ATOM 1573 N GLN A 103 -7.857 3.033 8.282 1.00 0.00 N ATOM 1574 CA GLN A 103 -7.236 3.637 9.461 1.00 0.00 C ATOM 1575 C GLN A 103 -8.264 4.428 10.277 1.00 0.00 C ATOM 1576 O GLN A 103 -8.081 5.618 10.541 1.00 0.00 O ATOM 1577 CB GLN A 103 -6.071 4.548 9.044 1.00 0.00 C ATOM 1578 CG GLN A 103 -5.102 4.873 10.174 1.00 0.00 C ATOM 1579 CD GLN A 103 -3.676 4.451 9.868 1.00 0.00 C ATOM 1580 OE1 GLN A 103 -3.247 3.359 10.242 1.00 0.00 O ATOM 1581 NE2 GLN A 103 -2.930 5.317 9.187 1.00 0.00 N ATOM 0 H GLN A 103 -8.692 3.518 7.954 1.00 0.00 H new ATOM 0 HA GLN A 103 -6.848 2.835 10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.521 4.069 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.476 5.479 8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.125 5.945 10.368 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.435 4.377 11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.324 6.211 8.896 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.964 5.086 8.956 1.00 0.00 H new ATOM 1590 N GLU A 104 -9.347 3.755 10.673 1.00 0.00 N ATOM 1591 CA GLU A 104 -10.404 4.390 11.460 1.00 0.00 C ATOM 1592 C GLU A 104 -9.966 4.572 12.915 1.00 0.00 C ATOM 1593 O GLU A 104 -9.541 3.616 13.566 1.00 0.00 O ATOM 1594 CB GLU A 104 -11.691 3.557 11.396 1.00 0.00 C ATOM 1595 CG GLU A 104 -12.944 4.330 11.785 1.00 0.00 C ATOM 1596 CD GLU A 104 -14.205 3.493 11.682 1.00 0.00 C ATOM 1597 OE1 GLU A 104 -14.825 3.482 10.599 1.00 0.00 O ATOM 1598 OE2 GLU A 104 -14.571 2.846 12.686 1.00 0.00 O ATOM 0 H GLU A 104 -9.514 2.771 10.461 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.599 5.374 11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.813 3.171 10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.588 2.695 12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.838 4.695 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.040 5.205 11.142 1.00 0.00 H new ATOM 1605 N SER A 105 -10.072 5.804 13.415 1.00 0.00 N ATOM 1606 CA SER A 105 -9.686 6.115 14.793 1.00 0.00 C ATOM 1607 C SER A 105 -10.824 5.806 15.764 1.00 0.00 C ATOM 1608 O SER A 105 -11.974 6.198 15.473 1.00 0.00 O ATOM 1609 CB SER A 105 -9.279 7.588 14.913 1.00 0.00 C ATOM 1610 OG SER A 105 -10.330 8.445 14.498 1.00 0.00 O ATOM 1611 OXT SER A 105 -10.555 5.173 16.807 1.00 0.00 O ATOM 0 H SER A 105 -10.422 6.603 12.887 1.00 0.00 H new ATOM 0 HA SER A 105 -8.833 5.488 15.054 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.010 7.811 15.946 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.393 7.774 14.306 1.00 0.00 H new ATOM 0 HG SER A 105 -11.191 7.999 14.640 1.00 0.00 H new TER 1617 SER A 105