USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=19 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 99 SER OG : rot 180:sc= -0.0739 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= -0.0073 USER MOD Set 2.1: A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -2.7! X(o=-2.7!,f=-2.3) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 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 :FLIP no HD1:sc= -1.3 F(o=-2.3!,f=-1.3) USER MOD Single : A 37 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD Single : A 41 SER OG : rot -90:sc= -2.58! USER MOD Single : A 42 SER OG : rot 75:sc= -0.68 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= -0.469 (180deg=-1.83!) USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.0841 (180deg=-0.459) 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 76 MET CE :methyl -169:sc= -0.123 (180deg=-0.361) USER MOD Single : A 84 SER OG : rot -51:sc= 0.158 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 : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.78) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -25.491 3.344 -6.163 1.00 0.00 N ATOM 2 CA GLY A -2 -25.241 1.915 -6.502 1.00 0.00 C ATOM 3 C GLY A -2 -23.810 1.661 -6.940 1.00 0.00 C ATOM 4 O GLY A -2 -23.543 1.487 -8.130 1.00 0.00 O ATOM 0 H1 GLY A -2 -26.482 3.463 -5.870 1.00 0.00 H new ATOM 0 H2 GLY A -2 -24.863 3.631 -5.385 1.00 0.00 H new ATOM 0 H3 GLY A -2 -25.303 3.937 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -25.467 1.295 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -25.920 1.610 -7.298 1.00 0.00 H new ATOM 10 N SER A -1 -22.887 1.639 -5.972 1.00 0.00 N ATOM 11 CA SER A -1 -21.465 1.406 -6.245 1.00 0.00 C ATOM 12 C SER A -1 -20.886 2.496 -7.151 1.00 0.00 C ATOM 13 O SER A -1 -21.021 2.437 -8.375 1.00 0.00 O ATOM 14 CB SER A -1 -21.256 0.023 -6.877 1.00 0.00 C ATOM 15 OG SER A -1 -19.888 -0.349 -6.853 1.00 0.00 O ATOM 0 H SER A -1 -23.102 1.781 -4.985 1.00 0.00 H new ATOM 0 HA SER A -1 -20.935 1.441 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A -1 -21.847 -0.719 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A -1 -21.615 0.032 -7.906 1.00 0.00 H new ATOM 0 HG SER A -1 -19.783 -1.234 -7.260 1.00 0.00 H new ATOM 21 N HIS A 0 -20.241 3.491 -6.536 1.00 0.00 N ATOM 22 CA HIS A 0 -19.638 4.598 -7.279 1.00 0.00 C ATOM 23 C HIS A 0 -18.119 4.438 -7.358 1.00 0.00 C ATOM 24 O HIS A 0 -17.480 4.016 -6.391 1.00 0.00 O ATOM 25 CB HIS A 0 -19.988 5.937 -6.620 1.00 0.00 C ATOM 26 CG HIS A 0 -21.438 6.301 -6.727 1.00 0.00 C ATOM 27 ND1 HIS A 0 -22.388 5.888 -5.816 1.00 0.00 N ATOM 28 CD2 HIS A 0 -22.100 7.043 -7.647 1.00 0.00 C ATOM 29 CE1 HIS A 0 -23.570 6.360 -6.171 1.00 0.00 C ATOM 30 NE2 HIS A 0 -23.423 7.064 -7.276 1.00 0.00 N ATOM 0 H HIS A 0 -20.124 3.552 -5.525 1.00 0.00 H new ATOM 0 HA HIS A 0 -20.041 4.584 -8.292 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -19.709 5.897 -5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -19.390 6.725 -7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -21.669 7.527 -8.511 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -24.499 6.197 -5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -24.171 7.546 -7.775 1.00 0.00 H new ATOM 39 N MET A 1 -17.547 4.780 -8.515 1.00 0.00 N ATOM 40 CA MET A 1 -16.102 4.679 -8.724 1.00 0.00 C ATOM 41 C MET A 1 -15.418 6.021 -8.464 1.00 0.00 C ATOM 42 O MET A 1 -15.926 7.071 -8.863 1.00 0.00 O ATOM 43 CB MET A 1 -15.803 4.207 -10.153 1.00 0.00 C ATOM 44 CG MET A 1 -16.234 2.773 -10.428 1.00 0.00 C ATOM 45 SD MET A 1 -15.867 2.245 -12.115 1.00 0.00 S ATOM 46 CE MET A 1 -17.255 2.950 -13.003 1.00 0.00 C ATOM 0 H MET A 1 -18.064 5.130 -9.322 1.00 0.00 H new ATOM 0 HA MET A 1 -15.708 3.949 -8.017 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.306 4.869 -10.857 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.733 4.297 -10.339 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.733 2.107 -9.726 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.305 2.679 -10.247 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.170 2.709 -14.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.185 2.538 -12.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.256 4.033 -12.877 1.00 0.00 H new ATOM 56 N SER A 2 -14.265 5.977 -7.794 1.00 0.00 N ATOM 57 CA SER A 2 -13.507 7.188 -7.479 1.00 0.00 C ATOM 58 C SER A 2 -12.290 7.324 -8.396 1.00 0.00 C ATOM 59 O SER A 2 -11.253 6.700 -8.165 1.00 0.00 O ATOM 60 CB SER A 2 -13.062 7.167 -6.011 1.00 0.00 C ATOM 61 OG SER A 2 -12.493 8.409 -5.631 1.00 0.00 O ATOM 0 H SER A 2 -13.836 5.114 -7.459 1.00 0.00 H new ATOM 0 HA SER A 2 -14.156 8.049 -7.642 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.917 6.945 -5.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.335 6.369 -5.860 1.00 0.00 H new ATOM 0 HG SER A 2 -12.219 8.369 -4.691 1.00 0.00 H new ATOM 67 N ALA A 3 -12.428 8.146 -9.440 1.00 0.00 N ATOM 68 CA ALA A 3 -11.345 8.369 -10.397 1.00 0.00 C ATOM 69 C ALA A 3 -11.449 9.756 -11.035 1.00 0.00 C ATOM 70 O ALA A 3 -11.408 9.893 -12.260 1.00 0.00 O ATOM 71 CB ALA A 3 -11.355 7.282 -11.468 1.00 0.00 C ATOM 0 H ALA A 3 -13.281 8.668 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.399 8.321 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -10.544 7.460 -12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.221 6.307 -10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -12.308 7.301 -11.997 1.00 0.00 H new ATOM 77 N GLY A 4 -11.584 10.783 -10.192 1.00 0.00 N ATOM 78 CA GLY A 4 -11.693 12.149 -10.681 1.00 0.00 C ATOM 79 C GLY A 4 -10.405 12.934 -10.496 1.00 0.00 C ATOM 80 O GLY A 4 -9.964 13.148 -9.367 1.00 0.00 O ATOM 0 H GLY A 4 -11.620 10.691 -9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.957 12.134 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.503 12.656 -10.157 1.00 0.00 H new ATOM 84 N GLU A 5 -9.804 13.361 -11.608 1.00 0.00 N ATOM 85 CA GLU A 5 -8.559 14.129 -11.572 1.00 0.00 C ATOM 86 C GLU A 5 -8.839 15.595 -11.227 1.00 0.00 C ATOM 87 O GLU A 5 -9.450 16.312 -12.022 1.00 0.00 O ATOM 88 CB GLU A 5 -7.842 14.044 -12.926 1.00 0.00 C ATOM 89 CG GLU A 5 -7.604 12.619 -13.411 1.00 0.00 C ATOM 90 CD GLU A 5 -7.193 12.556 -14.871 1.00 0.00 C ATOM 91 OE1 GLU A 5 -6.226 13.252 -15.247 1.00 0.00 O ATOM 92 OE2 GLU A 5 -7.838 11.810 -15.638 1.00 0.00 O ATOM 0 H GLU A 5 -10.161 13.187 -12.547 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.918 13.703 -10.800 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.431 14.577 -13.672 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.883 14.557 -12.851 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.829 12.157 -12.800 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.513 12.035 -13.269 1.00 0.00 H new ATOM 99 N PRO A 6 -8.415 16.068 -10.031 1.00 0.00 N ATOM 100 CA PRO A 6 -8.655 17.458 -9.603 1.00 0.00 C ATOM 101 C PRO A 6 -7.702 18.467 -10.260 1.00 0.00 C ATOM 102 O PRO A 6 -6.910 19.120 -9.576 1.00 0.00 O ATOM 103 CB PRO A 6 -8.413 17.378 -8.097 1.00 0.00 C ATOM 104 CG PRO A 6 -7.354 16.346 -7.965 1.00 0.00 C ATOM 105 CD PRO A 6 -7.699 15.295 -8.983 1.00 0.00 C ATOM 0 HA PRO A 6 -9.646 17.814 -9.885 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.090 18.337 -7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.318 17.094 -7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.367 16.768 -8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.335 15.928 -6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.808 14.808 -9.379 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.328 14.512 -8.558 1.00 0.00 H new ATOM 113 N HIS A 7 -7.794 18.596 -11.588 1.00 0.00 N ATOM 114 CA HIS A 7 -6.955 19.529 -12.348 1.00 0.00 C ATOM 115 C HIS A 7 -5.478 19.417 -11.947 1.00 0.00 C ATOM 116 O HIS A 7 -4.963 20.248 -11.195 1.00 0.00 O ATOM 117 CB HIS A 7 -7.453 20.969 -12.158 1.00 0.00 C ATOM 118 CG HIS A 7 -6.944 21.928 -13.192 1.00 0.00 C ATOM 119 ND1 HIS A 7 -5.757 22.618 -13.060 1.00 0.00 N ATOM 120 CD2 HIS A 7 -7.468 22.309 -14.382 1.00 0.00 C ATOM 121 CE1 HIS A 7 -5.573 23.381 -14.123 1.00 0.00 C ATOM 122 NE2 HIS A 7 -6.596 23.212 -14.939 1.00 0.00 N ATOM 0 H HIS A 7 -8.446 18.062 -12.162 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.032 19.262 -13.402 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.543 20.972 -12.179 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.152 21.320 -11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.398 21.967 -14.812 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.729 24.032 -14.295 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -6.719 23.677 -15.838 1.00 0.00 H new ATOM 131 N GLU A 8 -4.806 18.382 -12.455 1.00 0.00 N ATOM 132 CA GLU A 8 -3.391 18.151 -12.156 1.00 0.00 C ATOM 133 C GLU A 8 -2.561 18.167 -13.441 1.00 0.00 C ATOM 134 O GLU A 8 -2.991 17.649 -14.473 1.00 0.00 O ATOM 135 CB GLU A 8 -3.221 16.809 -11.420 1.00 0.00 C ATOM 136 CG GLU A 8 -2.611 16.908 -10.019 1.00 0.00 C ATOM 137 CD GLU A 8 -2.945 18.208 -9.305 1.00 0.00 C ATOM 138 OE1 GLU A 8 -2.005 18.885 -8.837 1.00 0.00 O ATOM 139 OE2 GLU A 8 -4.144 18.546 -9.214 1.00 0.00 O ATOM 0 H GLU A 8 -5.220 17.688 -13.077 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.034 18.953 -11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.197 16.330 -11.341 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.593 16.157 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.964 16.071 -9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.528 16.812 -10.095 1.00 0.00 H new ATOM 146 N THR A 9 -1.372 18.774 -13.371 1.00 0.00 N ATOM 147 CA THR A 9 -0.479 18.872 -14.531 1.00 0.00 C ATOM 148 C THR A 9 -0.038 17.488 -15.024 1.00 0.00 C ATOM 149 O THR A 9 0.005 17.240 -16.231 1.00 0.00 O ATOM 150 CB THR A 9 0.747 19.740 -14.201 1.00 0.00 C ATOM 151 OG1 THR A 9 1.581 19.883 -15.338 1.00 0.00 O ATOM 152 CG2 THR A 9 1.604 19.195 -13.074 1.00 0.00 C ATOM 0 H THR A 9 -1.005 19.205 -12.523 1.00 0.00 H new ATOM 0 HA THR A 9 -1.039 19.348 -15.336 1.00 0.00 H new ATOM 0 HB THR A 9 0.333 20.697 -13.882 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.354 20.439 -15.109 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.448 19.864 -12.902 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.007 19.123 -12.165 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.974 18.206 -13.344 1.00 0.00 H new ATOM 160 N ASP A 10 0.285 16.593 -14.086 1.00 0.00 N ATOM 161 CA ASP A 10 0.717 15.237 -14.428 1.00 0.00 C ATOM 162 C ASP A 10 -0.167 14.202 -13.735 1.00 0.00 C ATOM 163 O ASP A 10 -0.610 14.410 -12.604 1.00 0.00 O ATOM 164 CB ASP A 10 2.183 15.024 -14.033 1.00 0.00 C ATOM 165 CG ASP A 10 3.135 15.894 -14.834 1.00 0.00 C ATOM 166 OD1 ASP A 10 3.131 15.790 -16.079 1.00 0.00 O ATOM 167 OD2 ASP A 10 3.885 16.679 -14.217 1.00 0.00 O ATOM 0 H ASP A 10 0.255 16.784 -13.084 1.00 0.00 H new ATOM 0 HA ASP A 10 0.623 15.112 -15.507 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.305 15.240 -12.972 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.446 13.976 -14.177 1.00 0.00 H new ATOM 172 N CYS A 11 -0.425 13.087 -14.423 1.00 0.00 N ATOM 173 CA CYS A 11 -1.263 12.020 -13.876 1.00 0.00 C ATOM 174 C CYS A 11 -0.660 10.644 -14.164 1.00 0.00 C ATOM 175 O CYS A 11 -0.377 9.882 -13.239 1.00 0.00 O ATOM 176 CB CYS A 11 -2.680 12.108 -14.462 1.00 0.00 C ATOM 177 SG CYS A 11 -4.010 11.888 -13.238 1.00 0.00 S ATOM 0 H CYS A 11 -0.065 12.901 -15.359 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.314 12.149 -12.795 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.802 13.078 -14.944 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.787 11.351 -15.239 1.00 0.00 H new ATOM 182 N SER A 12 -0.468 10.328 -15.451 1.00 0.00 N ATOM 183 CA SER A 12 0.097 9.037 -15.848 1.00 0.00 C ATOM 184 C SER A 12 1.608 8.999 -15.639 1.00 0.00 C ATOM 185 O SER A 12 2.162 7.953 -15.302 1.00 0.00 O ATOM 186 CB SER A 12 -0.219 8.719 -17.307 1.00 0.00 C ATOM 187 OG SER A 12 -1.609 8.527 -17.504 1.00 0.00 O ATOM 0 H SER A 12 -0.695 10.947 -16.230 1.00 0.00 H new ATOM 0 HA SER A 12 -0.365 8.283 -15.211 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.131 9.532 -17.943 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.321 7.822 -17.611 1.00 0.00 H new ATOM 0 HG SER A 12 -1.781 8.327 -18.448 1.00 0.00 H new ATOM 193 N GLU A 13 2.270 10.142 -15.831 1.00 0.00 N ATOM 194 CA GLU A 13 3.719 10.224 -15.652 1.00 0.00 C ATOM 195 C GLU A 13 4.088 9.894 -14.213 1.00 0.00 C ATOM 196 O GLU A 13 5.098 9.241 -13.957 1.00 0.00 O ATOM 197 CB GLU A 13 4.241 11.608 -16.030 1.00 0.00 C ATOM 198 CG GLU A 13 3.958 11.997 -17.475 1.00 0.00 C ATOM 199 CD GLU A 13 4.729 13.227 -17.914 1.00 0.00 C ATOM 200 OE1 GLU A 13 4.087 14.258 -18.207 1.00 0.00 O ATOM 201 OE2 GLU A 13 5.976 13.159 -17.968 1.00 0.00 O ATOM 0 H GLU A 13 1.828 11.018 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 13 4.187 9.495 -16.314 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.791 12.349 -15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.317 11.640 -15.859 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.213 11.162 -18.128 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.890 12.181 -17.595 1.00 0.00 H new ATOM 208 N ILE A 14 3.228 10.306 -13.281 1.00 0.00 N ATOM 209 CA ILE A 14 3.428 10.012 -11.869 1.00 0.00 C ATOM 210 C ILE A 14 3.375 8.517 -11.687 1.00 0.00 C ATOM 211 O ILE A 14 4.203 7.958 -10.970 1.00 0.00 O ATOM 212 CB ILE A 14 2.373 10.730 -10.994 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.620 12.250 -11.042 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.372 10.203 -9.561 1.00 0.00 C ATOM 215 CD1 ILE A 14 2.846 12.900 -9.688 1.00 0.00 C ATOM 0 H ILE A 14 2.386 10.845 -13.483 1.00 0.00 H new ATOM 0 HA ILE A 14 4.401 10.383 -11.546 1.00 0.00 H new ATOM 0 HB ILE A 14 1.382 10.521 -11.397 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.488 12.443 -11.672 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.766 12.728 -11.521 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.618 10.733 -8.979 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.145 9.137 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.353 10.363 -9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.011 13.969 -9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.970 12.743 -9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.719 12.454 -9.212 1.00 0.00 H new ATOM 227 N LEU A 15 2.469 7.841 -12.399 1.00 0.00 N ATOM 228 CA LEU A 15 2.448 6.395 -12.339 1.00 0.00 C ATOM 229 C LEU A 15 3.772 5.943 -12.925 1.00 0.00 C ATOM 230 O LEU A 15 4.548 5.249 -12.268 1.00 0.00 O ATOM 231 CB LEU A 15 1.272 5.792 -13.128 1.00 0.00 C ATOM 232 CG LEU A 15 -0.019 6.625 -13.154 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.964 6.100 -14.227 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.696 6.624 -11.789 1.00 0.00 C ATOM 0 H LEU A 15 1.765 8.264 -13.003 1.00 0.00 H new ATOM 0 HA LEU A 15 2.313 6.057 -11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.596 5.628 -14.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.041 4.814 -12.707 1.00 0.00 H new ATOM 0 HG LEU A 15 0.242 7.655 -13.396 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.875 6.699 -14.235 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.480 6.164 -15.201 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.215 5.061 -14.014 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.607 7.221 -11.834 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.946 5.601 -11.507 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.020 7.050 -11.047 1.00 0.00 H new ATOM 246 N ASP A 16 4.029 6.363 -14.181 1.00 0.00 N ATOM 247 CA ASP A 16 5.271 6.029 -14.878 1.00 0.00 C ATOM 248 C ASP A 16 6.492 6.214 -13.979 1.00 0.00 C ATOM 249 O ASP A 16 7.514 5.556 -14.186 1.00 0.00 O ATOM 250 CB ASP A 16 5.413 6.892 -16.136 1.00 0.00 C ATOM 251 CG ASP A 16 6.392 6.308 -17.139 1.00 0.00 C ATOM 252 OD1 ASP A 16 7.580 6.690 -17.102 1.00 0.00 O ATOM 253 OD2 ASP A 16 5.968 5.469 -17.962 1.00 0.00 O ATOM 0 H ASP A 16 3.386 6.935 -14.728 1.00 0.00 H new ATOM 0 HA ASP A 16 5.221 4.977 -15.159 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.437 7.002 -16.609 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.743 7.891 -15.851 1.00 0.00 H new ATOM 258 N HIS A 17 6.378 7.056 -12.941 1.00 0.00 N ATOM 259 CA HIS A 17 7.466 7.237 -11.999 1.00 0.00 C ATOM 260 C HIS A 17 7.527 5.995 -11.129 1.00 0.00 C ATOM 261 O HIS A 17 8.505 5.256 -11.133 1.00 0.00 O ATOM 262 CB HIS A 17 7.216 8.445 -11.071 1.00 0.00 C ATOM 263 CG HIS A 17 7.178 9.789 -11.721 1.00 0.00 C ATOM 264 ND1 HIS A 17 6.850 10.920 -11.009 1.00 0.00 N ATOM 265 CD2 HIS A 17 7.426 10.200 -12.987 1.00 0.00 C ATOM 266 CE1 HIS A 17 6.893 11.968 -11.797 1.00 0.00 C ATOM 267 NE2 HIS A 17 7.242 11.564 -13.008 1.00 0.00 N ATOM 0 H HIS A 17 5.547 7.613 -12.743 1.00 0.00 H new ATOM 0 HA HIS A 17 8.388 7.407 -12.554 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.268 8.289 -10.556 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.995 8.457 -10.309 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.713 9.577 -13.821 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.680 12.986 -11.507 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.356 12.165 -13.824 1.00 0.00 H new ATOM 276 N LEU A 18 6.443 5.788 -10.381 1.00 0.00 N ATOM 277 CA LEU A 18 6.312 4.650 -9.466 1.00 0.00 C ATOM 278 C LEU A 18 6.748 3.317 -10.084 1.00 0.00 C ATOM 279 O LEU A 18 7.056 2.382 -9.354 1.00 0.00 O ATOM 280 CB LEU A 18 4.868 4.528 -8.964 1.00 0.00 C ATOM 281 CG LEU A 18 4.497 5.456 -7.801 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.482 6.907 -8.260 1.00 0.00 C ATOM 283 CD2 LEU A 18 3.144 5.063 -7.213 1.00 0.00 C ATOM 0 H LEU A 18 5.630 6.404 -10.391 1.00 0.00 H new ATOM 0 HA LEU A 18 6.986 4.856 -8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.193 4.729 -9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.694 3.497 -8.654 1.00 0.00 H new ATOM 0 HG LEU A 18 5.252 5.351 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.217 7.551 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.470 7.182 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.749 7.029 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.897 5.732 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.377 5.138 -7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.191 4.038 -6.846 1.00 0.00 H new ATOM 295 N TYR A 19 6.764 3.210 -11.414 1.00 0.00 N ATOM 296 CA TYR A 19 7.170 1.962 -12.054 1.00 0.00 C ATOM 297 C TYR A 19 8.689 1.910 -12.256 1.00 0.00 C ATOM 298 O TYR A 19 9.370 1.090 -11.640 1.00 0.00 O ATOM 299 CB TYR A 19 6.435 1.763 -13.387 1.00 0.00 C ATOM 300 CG TYR A 19 6.307 0.306 -13.802 1.00 0.00 C ATOM 301 CD1 TYR A 19 7.412 -0.384 -14.289 1.00 0.00 C ATOM 302 CD2 TYR A 19 5.092 -0.383 -13.706 1.00 0.00 C ATOM 303 CE1 TYR A 19 7.321 -1.707 -14.668 1.00 0.00 C ATOM 304 CE2 TYR A 19 4.999 -1.710 -14.085 1.00 0.00 C ATOM 305 CZ TYR A 19 6.114 -2.366 -14.565 1.00 0.00 C ATOM 306 OH TYR A 19 6.022 -3.686 -14.942 1.00 0.00 O ATOM 0 H TYR A 19 6.505 3.958 -12.057 1.00 0.00 H new ATOM 0 HA TYR A 19 6.893 1.144 -11.389 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.439 2.199 -13.311 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.963 2.309 -14.168 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.360 0.126 -14.372 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.217 0.128 -13.332 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.191 -2.225 -15.044 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.056 -2.231 -14.005 1.00 0.00 H new ATOM 0 HH TYR A 19 5.104 -4.002 -14.806 1.00 0.00 H new ATOM 316 N GLU A 20 9.215 2.772 -13.131 1.00 0.00 N ATOM 317 CA GLU A 20 10.658 2.795 -13.417 1.00 0.00 C ATOM 318 C GLU A 20 11.462 3.333 -12.229 1.00 0.00 C ATOM 319 O GLU A 20 12.597 2.920 -11.993 1.00 0.00 O ATOM 320 CB GLU A 20 10.950 3.645 -14.661 1.00 0.00 C ATOM 321 CG GLU A 20 10.029 3.354 -15.836 1.00 0.00 C ATOM 322 CD GLU A 20 10.473 4.042 -17.114 1.00 0.00 C ATOM 323 OE1 GLU A 20 11.194 3.406 -17.911 1.00 0.00 O ATOM 324 OE2 GLU A 20 10.100 5.217 -17.315 1.00 0.00 O ATOM 0 H GLU A 20 8.670 3.460 -13.652 1.00 0.00 H new ATOM 0 HA GLU A 20 10.966 1.766 -13.601 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.864 4.699 -14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.982 3.477 -14.970 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.989 2.278 -16.003 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.018 3.676 -15.588 1.00 0.00 H new ATOM 331 N PHE A 21 10.858 4.251 -11.488 1.00 0.00 N ATOM 332 CA PHE A 21 11.483 4.862 -10.315 1.00 0.00 C ATOM 333 C PHE A 21 11.630 3.838 -9.194 1.00 0.00 C ATOM 334 O PHE A 21 12.677 3.703 -8.562 1.00 0.00 O ATOM 335 CB PHE A 21 10.591 6.013 -9.820 1.00 0.00 C ATOM 336 CG PHE A 21 11.308 7.072 -9.046 1.00 0.00 C ATOM 337 CD1 PHE A 21 11.897 6.777 -7.833 1.00 0.00 C ATOM 338 CD2 PHE A 21 11.390 8.358 -9.540 1.00 0.00 C ATOM 339 CE1 PHE A 21 12.565 7.754 -7.120 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.052 9.341 -8.836 1.00 0.00 C ATOM 341 CZ PHE A 21 12.643 9.040 -7.624 1.00 0.00 C ATOM 0 H PHE A 21 9.918 4.597 -11.681 1.00 0.00 H new ATOM 0 HA PHE A 21 12.471 5.231 -10.591 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.108 6.476 -10.681 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.800 5.598 -9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.835 5.774 -7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.931 8.597 -10.488 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.025 7.515 -6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.109 10.345 -9.231 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.165 9.807 -7.071 1.00 0.00 H new ATOM 351 N LEU A 22 10.529 3.158 -8.957 1.00 0.00 N ATOM 352 CA LEU A 22 10.439 2.164 -7.907 1.00 0.00 C ATOM 353 C LEU A 22 11.189 0.876 -8.257 1.00 0.00 C ATOM 354 O LEU A 22 11.930 0.347 -7.427 1.00 0.00 O ATOM 355 CB LEU A 22 8.972 1.885 -7.619 1.00 0.00 C ATOM 356 CG LEU A 22 8.669 0.935 -6.460 1.00 0.00 C ATOM 357 CD1 LEU A 22 9.425 1.339 -5.204 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.168 0.893 -6.200 1.00 0.00 C ATOM 0 H LEU A 22 9.667 3.279 -9.489 1.00 0.00 H new ATOM 0 HA LEU A 22 10.922 2.560 -7.013 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.478 2.836 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.520 1.475 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 22 9.006 -0.064 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.189 0.644 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.497 1.315 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.132 2.347 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.961 0.214 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.815 1.892 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.653 0.543 -7.095 1.00 0.00 H new ATOM 370 N ASP A 23 10.959 0.341 -9.457 1.00 0.00 N ATOM 371 CA ASP A 23 11.581 -0.924 -9.866 1.00 0.00 C ATOM 372 C ASP A 23 12.996 -0.780 -10.438 1.00 0.00 C ATOM 373 O ASP A 23 13.845 -1.640 -10.200 1.00 0.00 O ATOM 374 CB ASP A 23 10.698 -1.609 -10.918 1.00 0.00 C ATOM 375 CG ASP A 23 10.415 -3.064 -10.588 1.00 0.00 C ATOM 376 OD1 ASP A 23 9.261 -3.379 -10.231 1.00 0.00 O ATOM 377 OD2 ASP A 23 11.349 -3.888 -10.687 1.00 0.00 O ATOM 0 H ASP A 23 10.351 0.759 -10.161 1.00 0.00 H new ATOM 0 HA ASP A 23 11.670 -1.518 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.755 -1.070 -11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.186 -1.550 -11.891 1.00 0.00 H new ATOM 382 N LYS A 24 13.234 0.255 -11.244 1.00 0.00 N ATOM 383 CA LYS A 24 14.531 0.424 -11.898 1.00 0.00 C ATOM 384 C LYS A 24 15.487 1.384 -11.178 1.00 0.00 C ATOM 385 O LYS A 24 16.702 1.179 -11.226 1.00 0.00 O ATOM 386 CB LYS A 24 14.316 0.877 -13.348 1.00 0.00 C ATOM 387 CG LYS A 24 14.146 -0.274 -14.334 1.00 0.00 C ATOM 388 CD LYS A 24 12.702 -0.763 -14.391 1.00 0.00 C ATOM 389 CE LYS A 24 12.593 -2.112 -15.089 1.00 0.00 C ATOM 390 NZ LYS A 24 11.184 -2.592 -15.161 1.00 0.00 N ATOM 0 H LYS A 24 12.552 0.983 -11.458 1.00 0.00 H new ATOM 0 HA LYS A 24 15.019 -0.550 -11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.433 1.514 -13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.165 1.486 -13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.460 0.049 -15.327 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.798 -1.099 -14.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.304 -0.843 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.090 -0.030 -14.917 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.001 -2.033 -16.097 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.199 -2.845 -14.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.155 -3.513 -15.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.802 -2.693 -14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.610 -1.906 -15.691 1.00 0.00 H new ATOM 404 N GLU A 25 14.972 2.434 -10.536 1.00 0.00 N ATOM 405 CA GLU A 25 15.848 3.395 -9.858 1.00 0.00 C ATOM 406 C GLU A 25 16.491 2.808 -8.594 1.00 0.00 C ATOM 407 O GLU A 25 17.704 2.601 -8.559 1.00 0.00 O ATOM 408 CB GLU A 25 15.099 4.694 -9.527 1.00 0.00 C ATOM 409 CG GLU A 25 15.964 5.942 -9.651 1.00 0.00 C ATOM 410 CD GLU A 25 15.202 7.219 -9.355 1.00 0.00 C ATOM 411 OE1 GLU A 25 15.444 7.821 -8.287 1.00 0.00 O ATOM 412 OE2 GLU A 25 14.366 7.619 -10.192 1.00 0.00 O ATOM 0 H GLU A 25 13.975 2.640 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 25 16.653 3.627 -10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.241 4.789 -10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.710 4.631 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.809 5.862 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.374 5.995 -10.659 1.00 0.00 H new ATOM 419 N MET A 26 15.681 2.549 -7.559 1.00 0.00 N ATOM 420 CA MET A 26 16.186 1.994 -6.295 1.00 0.00 C ATOM 421 C MET A 26 15.057 1.886 -5.261 1.00 0.00 C ATOM 422 O MET A 26 14.749 2.855 -4.568 1.00 0.00 O ATOM 423 CB MET A 26 17.328 2.861 -5.732 1.00 0.00 C ATOM 424 CG MET A 26 18.685 2.166 -5.723 1.00 0.00 C ATOM 425 SD MET A 26 18.849 0.958 -4.393 1.00 0.00 S ATOM 426 CE MET A 26 20.537 0.411 -4.637 1.00 0.00 C ATOM 0 H MET A 26 14.675 2.714 -7.571 1.00 0.00 H new ATOM 0 HA MET A 26 16.573 0.996 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 26 17.402 3.774 -6.322 1.00 0.00 H new ATOM 0 HB3 MET A 26 17.077 3.159 -4.714 1.00 0.00 H new ATOM 0 HG2 MET A 26 18.838 1.668 -6.680 1.00 0.00 H new ATOM 0 HG3 MET A 26 19.470 2.915 -5.625 1.00 0.00 H new ATOM 0 HE1 MET A 26 20.788 -0.340 -3.888 1.00 0.00 H new ATOM 0 HE2 MET A 26 20.639 -0.021 -5.633 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.213 1.261 -4.539 1.00 0.00 H new ATOM 436 N PRO A 27 14.420 0.701 -5.159 1.00 0.00 N ATOM 437 CA PRO A 27 13.310 0.448 -4.224 1.00 0.00 C ATOM 438 C PRO A 27 13.469 1.119 -2.852 1.00 0.00 C ATOM 439 O PRO A 27 12.516 1.701 -2.335 1.00 0.00 O ATOM 440 CB PRO A 27 13.335 -1.073 -4.093 1.00 0.00 C ATOM 441 CG PRO A 27 13.773 -1.546 -5.437 1.00 0.00 C ATOM 442 CD PRO A 27 14.721 -0.497 -5.969 1.00 0.00 C ATOM 0 HA PRO A 27 12.373 0.864 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.025 -1.395 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.353 -1.467 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.266 -2.515 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.919 -1.671 -6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.761 -0.804 -5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.557 -0.312 -7.031 1.00 0.00 H new ATOM 450 N ASP A 28 14.663 1.030 -2.260 1.00 0.00 N ATOM 451 CA ASP A 28 14.915 1.634 -0.944 1.00 0.00 C ATOM 452 C ASP A 28 15.424 3.071 -1.061 1.00 0.00 C ATOM 453 O ASP A 28 15.001 3.943 -0.301 1.00 0.00 O ATOM 454 CB ASP A 28 15.895 0.776 -0.129 1.00 0.00 C ATOM 455 CG ASP A 28 17.232 0.583 -0.824 1.00 0.00 C ATOM 456 OD1 ASP A 28 17.354 -0.373 -1.619 1.00 0.00 O ATOM 457 OD2 ASP A 28 18.154 1.386 -0.571 1.00 0.00 O ATOM 0 H ASP A 28 15.466 0.550 -2.665 1.00 0.00 H new ATOM 0 HA ASP A 28 13.961 1.669 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.060 1.245 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.446 -0.199 0.060 1.00 0.00 H new ATOM 462 N SER A 29 16.323 3.321 -2.016 1.00 0.00 N ATOM 463 CA SER A 29 16.868 4.663 -2.220 1.00 0.00 C ATOM 464 C SER A 29 15.954 5.482 -3.138 1.00 0.00 C ATOM 465 O SER A 29 16.413 6.115 -4.091 1.00 0.00 O ATOM 466 CB SER A 29 18.287 4.584 -2.794 1.00 0.00 C ATOM 467 OG SER A 29 19.215 5.254 -1.958 1.00 0.00 O ATOM 0 H SER A 29 16.687 2.615 -2.656 1.00 0.00 H new ATOM 0 HA SER A 29 16.918 5.166 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.580 3.540 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.305 5.027 -3.790 1.00 0.00 H new ATOM 0 HG SER A 29 20.112 5.187 -2.346 1.00 0.00 H new ATOM 473 N ASP A 30 14.650 5.454 -2.843 1.00 0.00 N ATOM 474 CA ASP A 30 13.662 6.177 -3.637 1.00 0.00 C ATOM 475 C ASP A 30 12.654 6.918 -2.765 1.00 0.00 C ATOM 476 O ASP A 30 12.063 7.899 -3.209 1.00 0.00 O ATOM 477 CB ASP A 30 12.931 5.214 -4.576 1.00 0.00 C ATOM 478 CG ASP A 30 12.193 4.099 -3.852 1.00 0.00 C ATOM 479 OD1 ASP A 30 12.054 4.171 -2.613 1.00 0.00 O ATOM 480 OD2 ASP A 30 11.751 3.150 -4.532 1.00 0.00 O ATOM 0 H ASP A 30 14.258 4.936 -2.057 1.00 0.00 H new ATOM 0 HA ASP A 30 14.200 6.922 -4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.219 5.778 -5.178 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.652 4.774 -5.264 1.00 0.00 H new ATOM 485 N ALA A 31 12.450 6.452 -1.529 1.00 0.00 N ATOM 486 CA ALA A 31 11.496 7.095 -0.621 1.00 0.00 C ATOM 487 C ALA A 31 11.807 8.582 -0.416 1.00 0.00 C ATOM 488 O ALA A 31 10.902 9.417 -0.453 1.00 0.00 O ATOM 489 CB ALA A 31 11.462 6.371 0.715 1.00 0.00 C ATOM 0 H ALA A 31 12.927 5.640 -1.137 1.00 0.00 H new ATOM 0 HA ALA A 31 10.512 7.030 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.748 6.862 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.160 5.335 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.453 6.396 1.168 1.00 0.00 H new ATOM 495 N VAL A 32 13.085 8.912 -0.196 1.00 0.00 N ATOM 496 CA VAL A 32 13.494 10.303 0.015 1.00 0.00 C ATOM 497 C VAL A 32 13.341 11.128 -1.261 1.00 0.00 C ATOM 498 O VAL A 32 13.066 12.328 -1.202 1.00 0.00 O ATOM 499 CB VAL A 32 14.946 10.408 0.528 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.292 11.847 0.902 1.00 0.00 C ATOM 501 CG2 VAL A 32 15.174 9.475 1.713 1.00 0.00 C ATOM 0 H VAL A 32 13.849 8.238 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 32 12.830 10.706 0.780 1.00 0.00 H new ATOM 0 HB VAL A 32 15.608 10.100 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.320 11.893 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.184 12.487 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.619 12.191 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.204 9.568 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.496 9.744 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.984 8.446 1.408 1.00 0.00 H new ATOM 511 N LYS A 33 13.487 10.476 -2.414 1.00 0.00 N ATOM 512 CA LYS A 33 13.329 11.146 -3.703 1.00 0.00 C ATOM 513 C LYS A 33 11.870 11.065 -4.149 1.00 0.00 C ATOM 514 O LYS A 33 11.450 11.766 -5.066 1.00 0.00 O ATOM 515 CB LYS A 33 14.245 10.508 -4.756 1.00 0.00 C ATOM 516 CG LYS A 33 15.686 10.318 -4.291 1.00 0.00 C ATOM 517 CD LYS A 33 16.432 11.644 -4.205 1.00 0.00 C ATOM 518 CE LYS A 33 17.880 11.448 -3.782 1.00 0.00 C ATOM 519 NZ LYS A 33 18.615 12.740 -3.684 1.00 0.00 N ATOM 0 H LYS A 33 13.715 9.484 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 33 13.611 12.193 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.835 9.539 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.242 11.130 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.692 9.833 -3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.206 9.653 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.400 12.143 -5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.930 12.299 -3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.910 10.940 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.382 10.799 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.597 12.560 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.610 13.214 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.152 13.350 -2.980 1.00 0.00 H new ATOM 533 N PHE A 34 11.105 10.200 -3.473 1.00 0.00 N ATOM 534 CA PHE A 34 9.690 10.002 -3.764 1.00 0.00 C ATOM 535 C PHE A 34 8.831 11.130 -3.188 1.00 0.00 C ATOM 536 O PHE A 34 7.630 11.147 -3.403 1.00 0.00 O ATOM 537 CB PHE A 34 9.212 8.660 -3.176 1.00 0.00 C ATOM 538 CG PHE A 34 9.276 7.476 -4.109 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.306 6.191 -3.588 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.271 7.630 -5.490 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.331 5.093 -4.418 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.300 6.532 -6.322 1.00 0.00 C ATOM 543 CZ PHE A 34 9.328 5.261 -5.787 1.00 0.00 C ATOM 0 H PHE A 34 11.454 9.620 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 34 9.578 10.000 -4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.812 8.437 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.182 8.778 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.310 6.050 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.244 8.622 -5.916 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.353 4.099 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.301 6.667 -7.394 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.348 4.400 -6.438 1.00 0.00 H new ATOM 553 N GLU A 35 9.435 12.070 -2.457 1.00 0.00 N ATOM 554 CA GLU A 35 8.669 13.177 -1.877 1.00 0.00 C ATOM 555 C GLU A 35 8.750 14.442 -2.745 1.00 0.00 C ATOM 556 O GLU A 35 8.188 15.479 -2.388 1.00 0.00 O ATOM 557 CB GLU A 35 9.171 13.481 -0.457 1.00 0.00 C ATOM 558 CG GLU A 35 8.084 13.406 0.603 1.00 0.00 C ATOM 559 CD GLU A 35 8.609 13.671 2.002 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.436 14.804 2.497 1.00 0.00 O ATOM 561 OE2 GLU A 35 9.195 12.744 2.602 1.00 0.00 O ATOM 0 H GLU A 35 10.435 12.089 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 35 7.624 12.869 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.964 12.777 -0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.613 14.477 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.304 14.130 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.622 12.419 0.574 1.00 0.00 H new ATOM 568 N HIS A 36 9.446 14.352 -3.883 1.00 0.00 N ATOM 569 CA HIS A 36 9.593 15.491 -4.796 1.00 0.00 C ATOM 570 C HIS A 36 8.611 15.390 -5.963 1.00 0.00 C ATOM 571 O HIS A 36 8.000 16.382 -6.364 1.00 0.00 O ATOM 572 CB HIS A 36 11.023 15.555 -5.345 1.00 0.00 C ATOM 573 CG HIS A 36 12.087 15.407 -4.310 1.00 0.00 C ATOM 574 ND1 HIS A 36 13.006 14.436 -4.144 1.00 0.00 N flip ATOM 575 CD2 HIS A 36 12.303 16.320 -3.298 1.00 0.00 C flip ATOM 576 CE1 HIS A 36 13.759 14.769 -3.046 1.00 0.00 C flip ATOM 577 NE2 HIS A 36 13.315 15.911 -2.553 1.00 0.00 N flip ATOM 0 H HIS A 36 9.917 13.502 -4.194 1.00 0.00 H new ATOM 0 HA HIS A 36 9.378 16.398 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.148 14.771 -6.092 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.161 16.508 -5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.735 17.225 -3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.581 14.191 -2.650 1.00 0.00 H new ATOM 0 HE2 HIS A 36 13.689 16.395 -1.737 1.00 0.00 H new ATOM 586 N HIS A 37 8.481 14.181 -6.506 1.00 0.00 N ATOM 587 CA HIS A 37 7.591 13.916 -7.640 1.00 0.00 C ATOM 588 C HIS A 37 6.183 13.571 -7.166 1.00 0.00 C ATOM 589 O HIS A 37 5.201 13.786 -7.877 1.00 0.00 O ATOM 590 CB HIS A 37 8.139 12.758 -8.472 1.00 0.00 C ATOM 591 CG HIS A 37 9.613 12.737 -8.516 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.341 13.457 -9.421 1.00 0.00 N ATOM 593 CD2 HIS A 37 10.498 12.110 -7.719 1.00 0.00 C ATOM 594 CE1 HIS A 37 11.615 13.280 -9.183 1.00 0.00 C ATOM 595 NE2 HIS A 37 11.746 12.463 -8.153 1.00 0.00 N ATOM 0 H HIS A 37 8.986 13.359 -6.176 1.00 0.00 H new ATOM 0 HA HIS A 37 7.543 14.820 -8.247 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.778 11.816 -8.058 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.750 12.830 -9.488 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.267 11.453 -6.894 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.426 13.728 -9.737 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.629 12.149 -7.750 1.00 0.00 H new ATOM 604 N PHE A 38 6.106 13.011 -5.963 1.00 0.00 N ATOM 605 CA PHE A 38 4.839 12.599 -5.370 1.00 0.00 C ATOM 606 C PHE A 38 4.048 13.798 -4.830 1.00 0.00 C ATOM 607 O PHE A 38 2.836 13.705 -4.628 1.00 0.00 O ATOM 608 CB PHE A 38 5.119 11.576 -4.256 1.00 0.00 C ATOM 609 CG PHE A 38 5.592 10.218 -4.759 1.00 0.00 C ATOM 610 CD1 PHE A 38 5.626 9.112 -3.902 1.00 0.00 C ATOM 611 CD2 PHE A 38 5.999 10.037 -6.090 1.00 0.00 C ATOM 612 CE1 PHE A 38 6.035 7.876 -4.360 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.411 8.797 -6.538 1.00 0.00 C ATOM 614 CZ PHE A 38 6.422 7.719 -5.677 1.00 0.00 C ATOM 0 H PHE A 38 6.918 12.830 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 38 4.222 12.139 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.874 11.985 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.211 11.437 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.329 9.227 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.990 10.876 -6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.053 7.031 -3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.725 8.671 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.734 6.749 -6.034 1.00 0.00 H new ATOM 624 N GLU A 39 4.737 14.921 -4.599 1.00 0.00 N ATOM 625 CA GLU A 39 4.095 16.135 -4.083 1.00 0.00 C ATOM 626 C GLU A 39 3.585 17.048 -5.209 1.00 0.00 C ATOM 627 O GLU A 39 2.525 17.661 -5.077 1.00 0.00 O ATOM 628 CB GLU A 39 5.068 16.911 -3.186 1.00 0.00 C ATOM 629 CG GLU A 39 5.152 16.371 -1.764 1.00 0.00 C ATOM 630 CD GLU A 39 5.850 17.327 -0.814 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.007 17.048 -0.432 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.239 18.354 -0.450 1.00 0.00 O ATOM 0 H GLU A 39 5.740 15.014 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 39 3.231 15.817 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.061 16.885 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.761 17.956 -3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.146 16.170 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.684 15.420 -1.772 1.00 0.00 H new ATOM 639 N GLU A 40 4.356 17.159 -6.301 1.00 0.00 N ATOM 640 CA GLU A 40 3.986 18.029 -7.432 1.00 0.00 C ATOM 641 C GLU A 40 2.570 17.750 -7.950 1.00 0.00 C ATOM 642 O GLU A 40 1.755 18.670 -8.050 1.00 0.00 O ATOM 643 CB GLU A 40 5.005 17.919 -8.582 1.00 0.00 C ATOM 644 CG GLU A 40 5.424 16.497 -8.932 1.00 0.00 C ATOM 645 CD GLU A 40 6.312 16.436 -10.161 1.00 0.00 C ATOM 646 OE1 GLU A 40 7.529 16.684 -10.027 1.00 0.00 O ATOM 647 OE2 GLU A 40 5.791 16.139 -11.256 1.00 0.00 O ATOM 0 H GLU A 40 5.237 16.660 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 40 3.999 19.049 -7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.581 18.387 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.895 18.490 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.952 16.059 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.534 15.891 -9.101 1.00 0.00 H new ATOM 654 N SER A 41 2.276 16.489 -8.276 1.00 0.00 N ATOM 655 CA SER A 41 0.953 16.115 -8.779 1.00 0.00 C ATOM 656 C SER A 41 0.314 15.059 -7.881 1.00 0.00 C ATOM 657 O SER A 41 -0.155 14.019 -8.350 1.00 0.00 O ATOM 658 CB SER A 41 1.039 15.609 -10.224 1.00 0.00 C ATOM 659 OG SER A 41 2.358 15.720 -10.732 1.00 0.00 O ATOM 0 H SER A 41 2.934 15.713 -8.201 1.00 0.00 H new ATOM 0 HA SER A 41 0.324 17.005 -8.767 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.717 14.568 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.356 16.180 -10.853 1.00 0.00 H new ATOM 0 HG SER A 41 2.471 16.594 -11.160 1.00 0.00 H new ATOM 665 N SER A 42 0.294 15.342 -6.580 1.00 0.00 N ATOM 666 CA SER A 42 -0.289 14.433 -5.601 1.00 0.00 C ATOM 667 C SER A 42 -1.792 14.238 -5.842 1.00 0.00 C ATOM 668 O SER A 42 -2.289 13.120 -5.753 1.00 0.00 O ATOM 669 CB SER A 42 -0.047 14.954 -4.180 1.00 0.00 C ATOM 670 OG SER A 42 0.017 13.890 -3.248 1.00 0.00 O ATOM 0 H SER A 42 0.677 16.198 -6.180 1.00 0.00 H new ATOM 0 HA SER A 42 0.199 13.465 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.883 15.522 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.847 15.639 -3.900 1.00 0.00 H new ATOM 0 HG SER A 42 0.873 13.423 -3.343 1.00 0.00 H new ATOM 676 N PRO A 43 -2.540 15.331 -6.135 1.00 0.00 N ATOM 677 CA PRO A 43 -3.998 15.271 -6.366 1.00 0.00 C ATOM 678 C PRO A 43 -4.440 14.362 -7.528 1.00 0.00 C ATOM 679 O PRO A 43 -5.621 14.026 -7.620 1.00 0.00 O ATOM 680 CB PRO A 43 -4.377 16.723 -6.655 1.00 0.00 C ATOM 681 CG PRO A 43 -3.286 17.527 -6.045 1.00 0.00 C ATOM 682 CD PRO A 43 -2.042 16.717 -6.238 1.00 0.00 C ATOM 0 HA PRO A 43 -4.494 14.831 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.452 16.907 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.344 16.974 -6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.199 18.501 -6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.476 17.710 -4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.579 16.910 -7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.293 16.936 -5.477 1.00 0.00 H new ATOM 690 N CYS A 44 -3.508 13.921 -8.387 1.00 0.00 N ATOM 691 CA CYS A 44 -3.859 13.016 -9.490 1.00 0.00 C ATOM 692 C CYS A 44 -3.630 11.586 -9.058 1.00 0.00 C ATOM 693 O CYS A 44 -4.433 10.697 -9.342 1.00 0.00 O ATOM 694 CB CYS A 44 -3.028 13.309 -10.746 1.00 0.00 C ATOM 695 SG CYS A 44 -4.028 13.650 -12.232 1.00 0.00 S ATOM 0 H CYS A 44 -2.520 14.172 -8.340 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.909 13.173 -9.736 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.382 14.165 -10.551 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.377 12.458 -10.946 1.00 0.00 H new ATOM 700 N LEU A 45 -2.553 11.392 -8.311 1.00 0.00 N ATOM 701 CA LEU A 45 -2.245 10.090 -7.767 1.00 0.00 C ATOM 702 C LEU A 45 -3.074 9.903 -6.498 1.00 0.00 C ATOM 703 O LEU A 45 -3.112 8.816 -5.919 1.00 0.00 O ATOM 704 CB LEU A 45 -0.728 9.942 -7.504 1.00 0.00 C ATOM 705 CG LEU A 45 -0.195 10.497 -6.165 1.00 0.00 C ATOM 706 CD1 LEU A 45 -0.129 9.400 -5.122 1.00 0.00 C ATOM 707 CD2 LEU A 45 1.184 11.122 -6.343 1.00 0.00 C ATOM 0 H LEU A 45 -1.882 12.122 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.502 9.308 -8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.476 8.883 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.193 10.438 -8.314 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.886 11.269 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.249 9.810 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.126 8.990 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.538 8.610 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.536 11.505 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.880 10.368 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.123 11.940 -7.061 1.00 0.00 H new ATOM 719 N GLU A 46 -3.711 11.001 -6.048 1.00 0.00 N ATOM 720 CA GLU A 46 -4.498 10.984 -4.828 1.00 0.00 C ATOM 721 C GLU A 46 -5.722 10.073 -4.879 1.00 0.00 C ATOM 722 O GLU A 46 -5.841 9.193 -4.023 1.00 0.00 O ATOM 723 CB GLU A 46 -4.914 12.399 -4.418 1.00 0.00 C ATOM 724 CG GLU A 46 -5.014 12.560 -2.914 1.00 0.00 C ATOM 725 CD GLU A 46 -4.543 13.918 -2.429 1.00 0.00 C ATOM 726 OE1 GLU A 46 -3.314 14.138 -2.379 1.00 0.00 O ATOM 727 OE2 GLU A 46 -5.403 14.763 -2.099 1.00 0.00 O ATOM 0 H GLU A 46 -3.688 11.905 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.836 10.561 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.191 13.115 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.876 12.637 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.049 12.410 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.422 11.783 -2.431 1.00 0.00 H new ATOM 734 N LYS A 47 -6.674 10.277 -5.806 1.00 0.00 N ATOM 735 CA LYS A 47 -7.889 9.459 -5.830 1.00 0.00 C ATOM 736 C LYS A 47 -7.757 8.243 -6.723 1.00 0.00 C ATOM 737 O LYS A 47 -8.701 7.461 -6.853 1.00 0.00 O ATOM 738 CB LYS A 47 -9.099 10.291 -6.280 1.00 0.00 C ATOM 739 CG LYS A 47 -9.269 11.596 -5.514 1.00 0.00 C ATOM 740 CD LYS A 47 -8.525 12.741 -6.185 1.00 0.00 C ATOM 741 CE LYS A 47 -8.916 14.091 -5.596 1.00 0.00 C ATOM 742 NZ LYS A 47 -7.892 14.603 -4.642 1.00 0.00 N ATOM 0 H LYS A 47 -6.624 10.989 -6.534 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.041 9.109 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.999 10.515 -7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.003 9.693 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.329 11.842 -5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.902 11.471 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.451 12.592 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.737 12.736 -7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.053 14.812 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.874 13.999 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.198 15.523 -4.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.779 13.928 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.983 14.716 -5.135 1.00 0.00 H new ATOM 756 N TYR A 48 -6.577 8.039 -7.292 1.00 0.00 N ATOM 757 CA TYR A 48 -6.341 6.864 -8.112 1.00 0.00 C ATOM 758 C TYR A 48 -5.961 5.701 -7.200 1.00 0.00 C ATOM 759 O TYR A 48 -5.764 4.574 -7.655 1.00 0.00 O ATOM 760 CB TYR A 48 -5.239 7.130 -9.139 1.00 0.00 C ATOM 761 CG TYR A 48 -5.769 7.604 -10.475 1.00 0.00 C ATOM 762 CD1 TYR A 48 -5.639 6.818 -11.613 1.00 0.00 C ATOM 763 CD2 TYR A 48 -6.402 8.835 -10.596 1.00 0.00 C ATOM 764 CE1 TYR A 48 -6.122 7.244 -12.834 1.00 0.00 C ATOM 765 CE2 TYR A 48 -6.887 9.270 -11.815 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.745 8.470 -12.931 1.00 0.00 C ATOM 767 OH TYR A 48 -7.228 8.899 -14.147 1.00 0.00 O ATOM 0 H TYR A 48 -5.777 8.666 -7.201 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.248 6.616 -8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.554 7.879 -8.741 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.662 6.217 -9.288 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.152 5.857 -11.541 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.517 9.462 -9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.012 6.620 -13.709 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.374 10.231 -11.894 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.639 9.782 -14.042 1.00 0.00 H new ATOM 777 N GLY A 49 -5.859 6.001 -5.897 1.00 0.00 N ATOM 778 CA GLY A 49 -5.506 4.997 -4.917 1.00 0.00 C ATOM 779 C GLY A 49 -4.011 4.803 -4.809 1.00 0.00 C ATOM 780 O GLY A 49 -3.536 3.683 -4.616 1.00 0.00 O ATOM 0 H GLY A 49 -6.018 6.932 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.904 5.286 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.975 4.050 -5.185 1.00 0.00 H new ATOM 784 N LEU A 50 -3.270 5.902 -4.946 1.00 0.00 N ATOM 785 CA LEU A 50 -1.818 5.859 -4.877 1.00 0.00 C ATOM 786 C LEU A 50 -1.282 6.615 -3.661 1.00 0.00 C ATOM 787 O LEU A 50 -0.363 6.130 -3.013 1.00 0.00 O ATOM 788 CB LEU A 50 -1.206 6.410 -6.172 1.00 0.00 C ATOM 789 CG LEU A 50 -0.717 5.358 -7.181 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.686 4.183 -7.276 1.00 0.00 C ATOM 791 CD2 LEU A 50 -0.522 5.998 -8.547 1.00 0.00 C ATOM 0 H LEU A 50 -3.656 6.832 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.524 4.816 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.948 7.040 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.366 7.053 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 50 0.239 4.970 -6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.310 3.458 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.778 3.708 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.663 4.542 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.176 5.245 -9.255 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.469 6.413 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.218 6.795 -8.473 1.00 0.00 H new ATOM 803 N GLU A 51 -1.836 7.799 -3.338 1.00 0.00 N ATOM 804 CA GLU A 51 -1.350 8.559 -2.181 1.00 0.00 C ATOM 805 C GLU A 51 -1.200 7.633 -0.973 1.00 0.00 C ATOM 806 O GLU A 51 -0.113 7.459 -0.432 1.00 0.00 O ATOM 807 CB GLU A 51 -2.294 9.721 -1.849 1.00 0.00 C ATOM 808 CG GLU A 51 -1.821 11.057 -2.396 1.00 0.00 C ATOM 809 CD GLU A 51 -0.590 11.584 -1.681 1.00 0.00 C ATOM 810 OE1 GLU A 51 0.533 11.182 -2.054 1.00 0.00 O ATOM 811 OE2 GLU A 51 -0.749 12.402 -0.751 1.00 0.00 O ATOM 0 H GLU A 51 -2.601 8.238 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.376 8.979 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.283 9.502 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.399 9.796 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.601 10.952 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.627 11.786 -2.308 1.00 0.00 H new ATOM 818 N GLN A 52 -2.313 7.025 -0.596 1.00 0.00 N ATOM 819 CA GLN A 52 -2.351 6.082 0.523 1.00 0.00 C ATOM 820 C GLN A 52 -1.218 5.063 0.395 1.00 0.00 C ATOM 821 O GLN A 52 -0.625 4.653 1.390 1.00 0.00 O ATOM 822 CB GLN A 52 -3.700 5.350 0.593 1.00 0.00 C ATOM 823 CG GLN A 52 -4.895 6.195 0.175 1.00 0.00 C ATOM 824 CD GLN A 52 -5.991 6.236 1.228 1.00 0.00 C ATOM 825 OE1 GLN A 52 -5.746 6.595 2.380 1.00 0.00 O ATOM 826 NE2 GLN A 52 -7.209 5.870 0.838 1.00 0.00 N ATOM 0 H GLN A 52 -3.215 7.167 -1.051 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.224 6.653 1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.654 4.467 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.857 4.999 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.560 7.211 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.306 5.799 -0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.370 5.579 -0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.982 5.880 1.503 1.00 0.00 H new ATOM 835 N ALA A 53 -0.916 4.669 -0.840 1.00 0.00 N ATOM 836 CA ALA A 53 0.156 3.711 -1.098 1.00 0.00 C ATOM 837 C ALA A 53 1.528 4.395 -1.122 1.00 0.00 C ATOM 838 O ALA A 53 2.442 3.974 -0.413 1.00 0.00 O ATOM 839 CB ALA A 53 -0.085 2.954 -2.396 1.00 0.00 C ATOM 0 H ALA A 53 -1.398 4.998 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 53 0.153 2.994 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.729 2.248 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.028 2.412 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.128 3.659 -3.226 1.00 0.00 H new ATOM 845 N VAL A 54 1.682 5.439 -1.952 1.00 0.00 N ATOM 846 CA VAL A 54 2.954 6.157 -2.069 1.00 0.00 C ATOM 847 C VAL A 54 3.414 6.726 -0.725 1.00 0.00 C ATOM 848 O VAL A 54 4.594 6.637 -0.391 1.00 0.00 O ATOM 849 CB VAL A 54 2.897 7.287 -3.134 1.00 0.00 C ATOM 850 CG1 VAL A 54 2.287 6.779 -4.435 1.00 0.00 C ATOM 851 CG2 VAL A 54 2.145 8.508 -2.619 1.00 0.00 C ATOM 0 H VAL A 54 0.940 5.802 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 54 3.686 5.419 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 54 3.922 7.597 -3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.258 7.589 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.892 5.961 -4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.274 6.424 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.126 9.276 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.124 8.225 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.646 8.897 -1.733 1.00 0.00 H new ATOM 861 N LYS A 55 2.480 7.287 0.056 1.00 0.00 N ATOM 862 CA LYS A 55 2.817 7.833 1.375 1.00 0.00 C ATOM 863 C LYS A 55 3.498 6.743 2.200 1.00 0.00 C ATOM 864 O LYS A 55 4.442 6.991 2.951 1.00 0.00 O ATOM 865 CB LYS A 55 1.548 8.319 2.084 1.00 0.00 C ATOM 866 CG LYS A 55 0.722 9.308 1.268 1.00 0.00 C ATOM 867 CD LYS A 55 0.952 10.746 1.715 1.00 0.00 C ATOM 868 CE LYS A 55 0.125 11.098 2.945 1.00 0.00 C ATOM 869 NZ LYS A 55 0.333 12.510 3.372 1.00 0.00 N ATOM 0 H LYS A 55 1.496 7.373 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 55 3.492 8.681 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.927 7.457 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.828 8.787 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.978 9.211 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.336 9.063 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.010 10.893 1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.698 11.424 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.931 10.936 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.390 10.429 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.248 12.708 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.336 12.659 3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.056 13.150 2.601 1.00 0.00 H new ATOM 883 N LYS A 56 2.991 5.530 2.010 1.00 0.00 N ATOM 884 CA LYS A 56 3.504 4.347 2.682 1.00 0.00 C ATOM 885 C LYS A 56 4.898 4.012 2.155 1.00 0.00 C ATOM 886 O LYS A 56 5.766 3.582 2.915 1.00 0.00 O ATOM 887 CB LYS A 56 2.531 3.179 2.521 1.00 0.00 C ATOM 888 CG LYS A 56 1.512 3.048 3.660 1.00 0.00 C ATOM 889 CD LYS A 56 1.218 4.386 4.364 1.00 0.00 C ATOM 890 CE LYS A 56 -0.233 4.845 4.218 1.00 0.00 C ATOM 891 NZ LYS A 56 -1.199 3.711 4.108 1.00 0.00 N ATOM 0 H LYS A 56 2.209 5.341 1.382 1.00 0.00 H new ATOM 0 HA LYS A 56 3.594 4.546 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.994 3.295 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.101 2.253 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.582 2.641 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.885 2.333 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.456 4.290 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.876 5.154 3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.501 5.461 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.321 5.476 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.141 4.027 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.246 3.389 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.883 2.926 4.713 1.00 0.00 H new ATOM 905 N LEU A 57 5.120 4.238 0.854 1.00 0.00 N ATOM 906 CA LEU A 57 6.425 3.991 0.235 1.00 0.00 C ATOM 907 C LEU A 57 7.463 4.973 0.760 1.00 0.00 C ATOM 908 O LEU A 57 8.594 4.593 1.063 1.00 0.00 O ATOM 909 CB LEU A 57 6.347 4.132 -1.288 1.00 0.00 C ATOM 910 CG LEU A 57 5.281 3.280 -1.990 1.00 0.00 C ATOM 911 CD1 LEU A 57 5.686 3.007 -3.434 1.00 0.00 C ATOM 912 CD2 LEU A 57 5.036 1.970 -1.252 1.00 0.00 C ATOM 0 H LEU A 57 4.412 4.592 0.211 1.00 0.00 H new ATOM 0 HA LEU A 57 6.717 2.972 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.161 5.179 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.321 3.877 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 57 4.348 3.844 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.920 2.402 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.793 3.952 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.635 2.472 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.275 1.393 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.962 1.397 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.695 2.182 -0.239 1.00 0.00 H new ATOM 924 N VAL A 58 7.063 6.241 0.862 1.00 0.00 N ATOM 925 CA VAL A 58 7.961 7.291 1.351 1.00 0.00 C ATOM 926 C VAL A 58 8.414 6.989 2.778 1.00 0.00 C ATOM 927 O VAL A 58 9.563 7.234 3.149 1.00 0.00 O ATOM 928 CB VAL A 58 7.292 8.690 1.344 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.338 9.793 1.486 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.458 8.897 0.091 1.00 0.00 C ATOM 0 H VAL A 58 6.128 6.566 0.614 1.00 0.00 H new ATOM 0 HA VAL A 58 8.813 7.305 0.671 1.00 0.00 H new ATOM 0 HB VAL A 58 6.622 8.741 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.845 10.765 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.875 9.666 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.041 9.737 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.002 9.887 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.096 8.814 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.676 8.139 0.045 1.00 0.00 H new ATOM 940 N LYS A 59 7.478 6.470 3.570 1.00 0.00 N ATOM 941 CA LYS A 59 7.711 6.135 4.963 1.00 0.00 C ATOM 942 C LYS A 59 8.905 5.185 5.137 1.00 0.00 C ATOM 943 O LYS A 59 9.623 5.264 6.134 1.00 0.00 O ATOM 944 CB LYS A 59 6.426 5.524 5.530 1.00 0.00 C ATOM 945 CG LYS A 59 6.608 4.744 6.823 1.00 0.00 C ATOM 946 CD LYS A 59 6.651 3.246 6.557 1.00 0.00 C ATOM 947 CE LYS A 59 5.257 2.641 6.435 1.00 0.00 C ATOM 948 NZ LYS A 59 4.473 2.770 7.696 1.00 0.00 N ATOM 0 H LYS A 59 6.529 6.270 3.254 1.00 0.00 H new ATOM 0 HA LYS A 59 7.967 7.041 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.705 6.323 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.994 4.862 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.530 5.056 7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.791 4.972 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.208 3.058 5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.190 2.751 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.720 3.132 5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.342 1.587 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.708 2.065 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.098 2.610 8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.065 3.725 7.755 1.00 0.00 H new ATOM 962 N ARG A 60 9.109 4.295 4.164 1.00 0.00 N ATOM 963 CA ARG A 60 10.217 3.331 4.208 1.00 0.00 C ATOM 964 C ARG A 60 11.564 4.042 4.372 1.00 0.00 C ATOM 965 O ARG A 60 12.204 3.935 5.419 1.00 0.00 O ATOM 966 CB ARG A 60 10.226 2.475 2.939 1.00 0.00 C ATOM 967 CG ARG A 60 8.972 1.625 2.766 1.00 0.00 C ATOM 968 CD ARG A 60 8.907 0.975 1.396 1.00 0.00 C ATOM 969 NE ARG A 60 9.096 1.929 0.301 1.00 0.00 N ATOM 970 CZ ARG A 60 8.993 1.613 -0.991 1.00 0.00 C ATOM 971 NH1 ARG A 60 8.667 0.379 -1.366 1.00 0.00 N ATOM 972 NH2 ARG A 60 9.212 2.542 -1.914 1.00 0.00 N ATOM 0 H ARG A 60 8.522 4.220 3.333 1.00 0.00 H new ATOM 0 HA ARG A 60 10.066 2.685 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.335 3.127 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.098 1.821 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.949 0.852 3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.089 2.247 2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.670 0.200 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.942 0.482 1.279 1.00 0.00 H new ATOM 0 HE ARG A 60 9.320 2.895 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.492 -0.339 -0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.592 0.150 -2.357 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.458 3.491 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.135 2.306 -2.903 1.00 0.00 H new ATOM 986 N ALA A 61 11.982 4.773 3.330 1.00 0.00 N ATOM 987 CA ALA A 61 13.248 5.515 3.347 1.00 0.00 C ATOM 988 C ALA A 61 14.428 4.650 3.810 1.00 0.00 C ATOM 989 O ALA A 61 15.309 5.126 4.530 1.00 0.00 O ATOM 990 CB ALA A 61 13.118 6.756 4.223 1.00 0.00 C ATOM 0 H ALA A 61 11.458 4.866 2.460 1.00 0.00 H new ATOM 0 HA ALA A 61 13.460 5.818 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.063 7.298 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.332 7.400 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.865 6.458 5.241 1.00 0.00 H new ATOM 996 N ALA A 62 14.445 3.383 3.381 1.00 0.00 N ATOM 997 CA ALA A 62 15.519 2.451 3.739 1.00 0.00 C ATOM 998 C ALA A 62 15.779 2.432 5.249 1.00 0.00 C ATOM 999 O ALA A 62 16.831 2.879 5.713 1.00 0.00 O ATOM 1000 CB ALA A 62 16.795 2.800 2.980 1.00 0.00 C ATOM 0 H ALA A 62 13.724 2.979 2.783 1.00 0.00 H new ATOM 0 HA ALA A 62 15.197 1.450 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.585 2.101 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.610 2.735 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 62 17.104 3.814 3.234 1.00 0.00 H new ATOM 1006 N GLY A 63 14.816 1.911 6.011 1.00 0.00 N ATOM 1007 CA GLY A 63 14.964 1.843 7.457 1.00 0.00 C ATOM 1008 C GLY A 63 13.643 1.635 8.174 1.00 0.00 C ATOM 1009 O GLY A 63 13.490 0.677 8.936 1.00 0.00 O ATOM 0 H GLY A 63 13.938 1.536 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.642 1.028 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.425 2.764 7.814 1.00 0.00 H new ATOM 1013 N GLN A 64 12.687 2.535 7.934 1.00 0.00 N ATOM 1014 CA GLN A 64 11.369 2.452 8.566 1.00 0.00 C ATOM 1015 C GLN A 64 10.371 1.745 7.648 1.00 0.00 C ATOM 1016 O GLN A 64 9.451 2.372 7.125 1.00 0.00 O ATOM 1017 CB GLN A 64 10.862 3.854 8.927 1.00 0.00 C ATOM 1018 CG GLN A 64 11.911 4.727 9.598 1.00 0.00 C ATOM 1019 CD GLN A 64 11.355 6.060 10.067 1.00 0.00 C ATOM 1020 OE1 GLN A 64 11.424 7.059 9.351 1.00 0.00 O ATOM 1021 NE2 GLN A 64 10.798 6.083 11.276 1.00 0.00 N ATOM 0 H GLN A 64 12.801 3.330 7.306 1.00 0.00 H new ATOM 0 HA GLN A 64 11.464 1.868 9.481 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.514 4.350 8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.001 3.761 9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.330 4.193 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.729 4.905 8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.762 5.232 11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.408 6.952 11.641 1.00 0.00 H new ATOM 1030 N ASP A 65 10.587 0.436 7.454 1.00 0.00 N ATOM 1031 CA ASP A 65 9.754 -0.419 6.594 1.00 0.00 C ATOM 1032 C ASP A 65 10.576 -0.897 5.393 1.00 0.00 C ATOM 1033 O ASP A 65 10.305 -1.958 4.831 1.00 0.00 O ATOM 1034 CB ASP A 65 8.470 0.294 6.130 1.00 0.00 C ATOM 1035 CG ASP A 65 7.465 -0.653 5.500 1.00 0.00 C ATOM 1036 OD1 ASP A 65 7.000 -0.363 4.378 1.00 0.00 O ATOM 1037 OD2 ASP A 65 7.138 -1.680 6.132 1.00 0.00 O ATOM 0 H ASP A 65 11.357 -0.067 7.896 1.00 0.00 H new ATOM 0 HA ASP A 65 9.437 -1.280 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.008 0.792 6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.731 1.070 5.411 1.00 0.00 H new ATOM 1042 N ASP A 66 11.606 -0.114 5.041 1.00 0.00 N ATOM 1043 CA ASP A 66 12.524 -0.433 3.938 1.00 0.00 C ATOM 1044 C ASP A 66 11.811 -0.734 2.610 1.00 0.00 C ATOM 1045 O ASP A 66 11.795 0.106 1.713 1.00 0.00 O ATOM 1046 CB ASP A 66 13.429 -1.604 4.327 1.00 0.00 C ATOM 1047 CG ASP A 66 14.670 -1.162 5.079 1.00 0.00 C ATOM 1048 OD1 ASP A 66 14.627 -1.129 6.328 1.00 0.00 O ATOM 1049 OD2 ASP A 66 15.684 -0.850 4.421 1.00 0.00 O ATOM 0 H ASP A 66 11.827 0.762 5.515 1.00 0.00 H new ATOM 0 HA ASP A 66 13.122 0.462 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.865 -2.304 4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.727 -2.142 3.427 1.00 0.00 H new ATOM 1054 N VAL A 67 11.249 -1.944 2.491 1.00 0.00 N ATOM 1055 CA VAL A 67 10.554 -2.389 1.273 1.00 0.00 C ATOM 1056 C VAL A 67 9.940 -3.772 1.491 1.00 0.00 C ATOM 1057 O VAL A 67 10.532 -4.791 1.127 1.00 0.00 O ATOM 1058 CB VAL A 67 11.499 -2.452 0.037 1.00 0.00 C ATOM 1059 CG1 VAL A 67 11.593 -1.095 -0.659 1.00 0.00 C ATOM 1060 CG2 VAL A 67 12.884 -2.960 0.426 1.00 0.00 C ATOM 0 H VAL A 67 11.262 -2.642 3.235 1.00 0.00 H new ATOM 0 HA VAL A 67 9.777 -1.652 1.070 1.00 0.00 H new ATOM 0 HB VAL A 67 11.067 -3.161 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.260 -1.172 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.602 -0.789 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.984 -0.354 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.521 -2.993 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.323 -2.290 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.799 -3.961 0.849 1.00 0.00 H new ATOM 1070 N PRO A 68 8.739 -3.822 2.099 1.00 0.00 N ATOM 1071 CA PRO A 68 8.030 -5.079 2.375 1.00 0.00 C ATOM 1072 C PRO A 68 7.923 -6.003 1.164 1.00 0.00 C ATOM 1073 O PRO A 68 7.673 -7.200 1.314 1.00 0.00 O ATOM 1074 CB PRO A 68 6.637 -4.612 2.803 1.00 0.00 C ATOM 1075 CG PRO A 68 6.851 -3.250 3.360 1.00 0.00 C ATOM 1076 CD PRO A 68 7.977 -2.649 2.575 1.00 0.00 C ATOM 0 HA PRO A 68 8.560 -5.670 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.949 -4.591 1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.206 -5.281 3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.948 -2.646 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.098 -3.298 4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.609 -2.047 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.593 -1.996 3.194 1.00 0.00 H new ATOM 1084 N GLY A 69 8.074 -5.440 -0.037 1.00 0.00 N ATOM 1085 CA GLY A 69 7.945 -6.231 -1.246 1.00 0.00 C ATOM 1086 C GLY A 69 6.501 -6.285 -1.696 1.00 0.00 C ATOM 1087 O GLY A 69 6.211 -6.372 -2.892 1.00 0.00 O ATOM 0 H GLY A 69 8.283 -4.453 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.562 -5.801 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.314 -7.241 -1.067 1.00 0.00 H new ATOM 1091 N ASP A 70 5.594 -6.214 -0.718 1.00 0.00 N ATOM 1092 CA ASP A 70 4.166 -6.230 -0.973 1.00 0.00 C ATOM 1093 C ASP A 70 3.668 -4.836 -1.354 1.00 0.00 C ATOM 1094 O ASP A 70 2.572 -4.706 -1.897 1.00 0.00 O ATOM 1095 CB ASP A 70 3.408 -6.737 0.259 1.00 0.00 C ATOM 1096 CG ASP A 70 3.499 -8.243 0.420 1.00 0.00 C ATOM 1097 OD1 ASP A 70 4.433 -8.712 1.105 1.00 0.00 O ATOM 1098 OD2 ASP A 70 2.636 -8.953 -0.138 1.00 0.00 O ATOM 0 H ASP A 70 5.837 -6.144 0.270 1.00 0.00 H new ATOM 0 HA ASP A 70 3.979 -6.906 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.808 -6.255 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.360 -6.446 0.182 1.00 0.00 H new ATOM 1103 N LEU A 71 4.475 -3.788 -1.095 1.00 0.00 N ATOM 1104 CA LEU A 71 4.061 -2.434 -1.458 1.00 0.00 C ATOM 1105 C LEU A 71 4.295 -2.222 -2.936 1.00 0.00 C ATOM 1106 O LEU A 71 3.410 -1.775 -3.660 1.00 0.00 O ATOM 1107 CB LEU A 71 4.811 -1.362 -0.659 1.00 0.00 C ATOM 1108 CG LEU A 71 4.725 -1.485 0.866 1.00 0.00 C ATOM 1109 CD1 LEU A 71 4.856 -0.113 1.519 1.00 0.00 C ATOM 1110 CD2 LEU A 71 3.422 -2.155 1.278 1.00 0.00 C ATOM 0 H LEU A 71 5.390 -3.856 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 71 3.002 -2.335 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.862 -1.389 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.426 -0.384 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 71 5.551 -2.109 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.793 -0.218 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.817 0.327 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.052 0.534 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.381 -2.233 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.580 -1.561 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.371 -3.152 0.841 1.00 0.00 H new ATOM 1122 N ARG A 72 5.500 -2.566 -3.373 1.00 0.00 N ATOM 1123 CA ARG A 72 5.881 -2.440 -4.772 1.00 0.00 C ATOM 1124 C ARG A 72 4.922 -3.231 -5.654 1.00 0.00 C ATOM 1125 O ARG A 72 4.278 -2.677 -6.541 1.00 0.00 O ATOM 1126 CB ARG A 72 7.308 -2.948 -4.963 1.00 0.00 C ATOM 1127 CG ARG A 72 8.080 -2.235 -6.060 1.00 0.00 C ATOM 1128 CD ARG A 72 8.827 -3.211 -6.960 1.00 0.00 C ATOM 1129 NE ARG A 72 9.902 -3.908 -6.249 1.00 0.00 N ATOM 1130 CZ ARG A 72 10.604 -4.924 -6.760 1.00 0.00 C ATOM 1131 NH1 ARG A 72 10.354 -5.371 -7.988 1.00 0.00 N ATOM 1132 NH2 ARG A 72 11.562 -5.495 -6.037 1.00 0.00 N ATOM 0 H ARG A 72 6.235 -2.938 -2.772 1.00 0.00 H new ATOM 0 HA ARG A 72 5.832 -1.390 -5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.849 -2.839 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.275 -4.013 -5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.391 -1.642 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.790 -1.540 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.125 -3.942 -7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.246 -2.672 -7.810 1.00 0.00 H new ATOM 0 HE ARG A 72 10.129 -3.598 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.621 -4.938 -8.549 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.896 -6.147 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.760 -5.158 -5.095 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.099 -6.271 -6.424 1.00 0.00 H new ATOM 1146 N ALA A 73 4.862 -4.539 -5.409 1.00 0.00 N ATOM 1147 CA ALA A 73 4.006 -5.443 -6.185 1.00 0.00 C ATOM 1148 C ALA A 73 2.575 -4.928 -6.217 1.00 0.00 C ATOM 1149 O ALA A 73 1.852 -5.111 -7.197 1.00 0.00 O ATOM 1150 CB ALA A 73 4.056 -6.854 -5.611 1.00 0.00 C ATOM 0 H ALA A 73 5.399 -5.001 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 73 4.381 -5.477 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.415 -7.509 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.081 -7.224 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.708 -6.839 -4.578 1.00 0.00 H new ATOM 1156 N LYS A 74 2.198 -4.255 -5.139 1.00 0.00 N ATOM 1157 CA LYS A 74 0.871 -3.669 -5.023 1.00 0.00 C ATOM 1158 C LYS A 74 0.823 -2.393 -5.855 1.00 0.00 C ATOM 1159 O LYS A 74 -0.148 -2.131 -6.558 1.00 0.00 O ATOM 1160 CB LYS A 74 0.531 -3.380 -3.554 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.797 -2.657 -3.355 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.604 -1.153 -3.189 1.00 0.00 C ATOM 1163 CE LYS A 74 -0.874 -0.699 -1.761 1.00 0.00 C ATOM 1164 NZ LYS A 74 -2.333 -0.628 -1.463 1.00 0.00 N ATOM 0 H LYS A 74 2.797 -4.101 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 74 0.127 -4.372 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.506 -4.322 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.329 -2.779 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.446 -2.848 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.301 -3.058 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.415 -0.885 -3.468 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.271 -0.624 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.395 -1.388 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.423 0.280 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.472 -0.315 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.787 0.048 -2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.759 -1.568 -1.590 1.00 0.00 H new ATOM 1178 N VAL A 75 1.904 -1.617 -5.777 1.00 0.00 N ATOM 1179 CA VAL A 75 2.017 -0.371 -6.531 1.00 0.00 C ATOM 1180 C VAL A 75 2.080 -0.661 -8.026 1.00 0.00 C ATOM 1181 O VAL A 75 1.256 -0.160 -8.792 1.00 0.00 O ATOM 1182 CB VAL A 75 3.257 0.449 -6.101 1.00 0.00 C ATOM 1183 CG1 VAL A 75 3.399 1.714 -6.942 1.00 0.00 C ATOM 1184 CG2 VAL A 75 3.175 0.788 -4.619 1.00 0.00 C ATOM 0 H VAL A 75 2.715 -1.831 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 75 1.130 0.224 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 75 4.146 -0.160 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.279 2.270 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.508 1.442 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.512 2.335 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.053 1.365 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.276 1.375 -4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.137 -0.133 -4.037 1.00 0.00 H new ATOM 1194 N MET A 76 3.059 -1.471 -8.441 1.00 0.00 N ATOM 1195 CA MET A 76 3.212 -1.820 -9.855 1.00 0.00 C ATOM 1196 C MET A 76 1.911 -2.415 -10.401 1.00 0.00 C ATOM 1197 O MET A 76 1.458 -2.047 -11.484 1.00 0.00 O ATOM 1198 CB MET A 76 4.398 -2.787 -10.056 1.00 0.00 C ATOM 1199 CG MET A 76 4.245 -4.140 -9.371 1.00 0.00 C ATOM 1200 SD MET A 76 3.747 -5.453 -10.506 1.00 0.00 S ATOM 1201 CE MET A 76 4.179 -6.911 -9.558 1.00 0.00 C ATOM 0 H MET A 76 3.752 -1.894 -7.823 1.00 0.00 H new ATOM 0 HA MET A 76 3.429 -0.911 -10.415 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.538 -2.951 -11.125 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.305 -2.309 -9.686 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.190 -4.412 -8.901 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.506 -4.056 -8.574 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.115 -7.792 -10.196 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.196 -6.811 -9.179 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.489 -7.018 -8.721 1.00 0.00 H new ATOM 1211 N GLY A 77 1.320 -3.336 -9.635 1.00 0.00 N ATOM 1212 CA GLY A 77 0.078 -3.971 -10.038 1.00 0.00 C ATOM 1213 C GLY A 77 -1.066 -2.985 -10.147 1.00 0.00 C ATOM 1214 O GLY A 77 -1.919 -3.120 -11.027 1.00 0.00 O ATOM 0 H GLY A 77 1.686 -3.653 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.221 -4.465 -10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.181 -4.746 -9.317 1.00 0.00 H new ATOM 1218 N ARG A 78 -1.075 -1.966 -9.277 1.00 0.00 N ATOM 1219 CA ARG A 78 -2.106 -0.943 -9.320 1.00 0.00 C ATOM 1220 C ARG A 78 -1.887 -0.075 -10.541 1.00 0.00 C ATOM 1221 O ARG A 78 -2.835 0.258 -11.245 1.00 0.00 O ATOM 1222 CB ARG A 78 -2.071 -0.084 -8.063 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.551 -0.809 -6.815 1.00 0.00 C ATOM 1224 CD ARG A 78 -4.058 -0.706 -6.647 1.00 0.00 C ATOM 1225 NE ARG A 78 -4.662 -1.985 -6.269 1.00 0.00 N ATOM 1226 CZ ARG A 78 -4.590 -2.523 -5.046 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -3.940 -1.899 -4.066 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -5.173 -3.692 -4.802 1.00 0.00 N ATOM 0 H ARG A 78 -0.380 -1.836 -8.542 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.082 -1.425 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.051 0.265 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.689 0.800 -8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.262 -1.859 -6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.058 -0.389 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.287 0.041 -5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.503 -0.358 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.172 -2.501 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.490 -1.001 -4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.892 -2.319 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.674 -4.177 -5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.119 -4.104 -3.870 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.616 0.257 -10.811 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.294 1.049 -11.988 1.00 0.00 C ATOM 1244 C LEU A 79 -0.771 0.276 -13.204 1.00 0.00 C ATOM 1245 O LEU A 79 -1.537 0.786 -14.015 1.00 0.00 O ATOM 1246 CB LEU A 79 1.208 1.343 -12.077 1.00 0.00 C ATOM 1247 CG LEU A 79 1.724 1.804 -13.454 1.00 0.00 C ATOM 1248 CD1 LEU A 79 0.727 2.724 -14.156 1.00 0.00 C ATOM 1249 CD2 LEU A 79 3.066 2.495 -13.308 1.00 0.00 C ATOM 0 H LEU A 79 0.185 -0.008 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.793 2.017 -11.932 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.452 2.111 -11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.752 0.443 -11.789 1.00 0.00 H new ATOM 0 HG LEU A 79 1.844 0.916 -14.075 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.129 3.026 -15.123 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.214 2.195 -14.304 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.554 3.608 -13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.419 2.815 -14.288 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.959 3.364 -12.659 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.786 1.803 -12.872 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.319 -0.974 -13.305 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.706 -1.854 -14.403 1.00 0.00 C ATOM 1263 C ASP A 80 -2.228 -1.880 -14.545 1.00 0.00 C ATOM 1264 O ASP A 80 -2.754 -2.060 -15.645 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.171 -3.271 -14.150 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.436 -4.218 -15.307 1.00 0.00 C ATOM 1267 OD1 ASP A 80 0.369 -4.230 -16.262 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.449 -4.948 -15.257 1.00 0.00 O ATOM 0 H ASP A 80 0.320 -1.400 -12.634 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.276 -1.475 -15.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.902 -3.221 -13.966 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.631 -3.672 -13.247 1.00 0.00 H new ATOM 1273 N LEU A 81 -2.928 -1.663 -13.426 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.376 -1.618 -13.417 1.00 0.00 C ATOM 1275 C LEU A 81 -4.825 -0.222 -13.842 1.00 0.00 C ATOM 1276 O LEU A 81 -5.746 -0.068 -14.639 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.883 -1.972 -12.010 1.00 0.00 C ATOM 1278 CG LEU A 81 -6.024 -1.113 -11.449 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -7.205 -1.075 -12.413 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -6.446 -1.643 -10.085 1.00 0.00 C ATOM 0 H LEU A 81 -2.501 -1.516 -12.512 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.793 -2.342 -14.117 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.213 -3.011 -12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.041 -1.911 -11.320 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.667 -0.090 -11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.000 -0.460 -11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.884 -0.651 -13.365 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.576 -2.087 -12.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.256 -1.030 -9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.786 -2.674 -10.185 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.598 -1.606 -9.402 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.136 0.786 -13.310 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.428 2.185 -13.638 1.00 0.00 C ATOM 1294 C ILE A 82 -4.251 2.410 -15.145 1.00 0.00 C ATOM 1295 O ILE A 82 -5.161 2.884 -15.827 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.514 3.167 -12.854 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -3.790 3.084 -11.343 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.706 4.598 -13.349 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -2.594 3.436 -10.478 1.00 0.00 C ATOM 0 H ILE A 82 -3.370 0.662 -12.648 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.459 2.385 -13.348 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.479 2.875 -13.032 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.614 3.754 -11.097 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.118 2.074 -11.099 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.056 5.268 -12.786 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.454 4.654 -14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.745 4.896 -13.207 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.869 3.354 -9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.775 2.750 -10.694 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.278 4.457 -10.692 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.066 2.055 -15.642 1.00 0.00 N ATOM 1312 CA ARG A 83 -2.725 2.193 -17.059 1.00 0.00 C ATOM 1313 C ARG A 83 -3.658 1.368 -17.958 1.00 0.00 C ATOM 1314 O ARG A 83 -3.950 1.769 -19.085 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.264 1.785 -17.280 1.00 0.00 C ATOM 1316 CG ARG A 83 -0.955 0.329 -16.962 1.00 0.00 C ATOM 1317 CD ARG A 83 -0.641 -0.453 -18.223 1.00 0.00 C ATOM 1318 NE ARG A 83 0.566 -1.272 -18.088 1.00 0.00 N ATOM 1319 CZ ARG A 83 1.058 -2.048 -19.058 1.00 0.00 C ATOM 1320 NH1 ARG A 83 0.453 -2.117 -20.243 1.00 0.00 N ATOM 1321 NH2 ARG A 83 2.160 -2.757 -18.844 1.00 0.00 N ATOM 0 H ARG A 83 -2.315 1.663 -15.074 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.856 3.239 -17.337 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.000 1.980 -18.319 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.627 2.420 -16.665 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.109 0.275 -16.277 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.806 -0.123 -16.453 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.487 -1.095 -18.469 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.515 0.240 -19.055 1.00 0.00 H new ATOM 0 HE ARG A 83 1.062 -1.248 -17.197 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.393 -1.575 -20.416 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.836 -2.712 -20.977 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.630 -2.709 -17.940 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.537 -3.350 -19.584 1.00 0.00 H new ATOM 1335 N SER A 84 -4.118 0.217 -17.454 1.00 0.00 N ATOM 1336 CA SER A 84 -5.010 -0.660 -18.214 1.00 0.00 C ATOM 1337 C SER A 84 -6.396 -0.779 -17.561 1.00 0.00 C ATOM 1338 O SER A 84 -7.067 -1.803 -17.707 1.00 0.00 O ATOM 1339 CB SER A 84 -4.380 -2.049 -18.364 1.00 0.00 C ATOM 1340 OG SER A 84 -4.981 -2.771 -19.425 1.00 0.00 O ATOM 0 H SER A 84 -3.886 -0.127 -16.522 1.00 0.00 H new ATOM 0 HA SER A 84 -5.148 -0.213 -19.198 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.310 -1.948 -18.549 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.492 -2.605 -17.433 1.00 0.00 H new ATOM 0 HG SER A 84 -5.955 -2.752 -19.323 1.00 0.00 H new ATOM 1346 N GLY A 85 -6.820 0.264 -16.842 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.121 0.237 -16.184 1.00 0.00 C ATOM 1348 C GLY A 85 -8.419 1.513 -15.412 1.00 0.00 C ATOM 1349 O GLY A 85 -7.839 2.562 -15.697 1.00 0.00 O ATOM 0 H GLY A 85 -6.288 1.123 -16.704 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.898 0.081 -16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.160 -0.612 -15.502 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.330 1.425 -14.435 1.00 0.00 N ATOM 1354 CA GLN A 86 -9.708 2.584 -13.625 1.00 0.00 C ATOM 1355 C GLN A 86 -9.940 2.202 -12.160 1.00 0.00 C ATOM 1356 O GLN A 86 -9.325 2.780 -11.262 1.00 0.00 O ATOM 1357 CB GLN A 86 -10.967 3.249 -14.193 1.00 0.00 C ATOM 1358 CG GLN A 86 -10.741 3.959 -15.522 1.00 0.00 C ATOM 1359 CD GLN A 86 -11.052 5.445 -15.459 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -10.167 6.264 -15.214 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -12.315 5.799 -15.678 1.00 0.00 N ATOM 0 H GLN A 86 -9.817 0.563 -14.188 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.878 3.290 -13.663 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.740 2.491 -14.323 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.346 3.969 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.704 3.823 -15.829 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.364 3.495 -16.287 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.017 5.087 -15.878 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.582 6.783 -15.646 1.00 0.00 H new ATOM 1370 N SER A 87 -10.837 1.235 -11.924 1.00 0.00 N ATOM 1371 CA SER A 87 -11.157 0.783 -10.564 1.00 0.00 C ATOM 1372 C SER A 87 -9.888 0.506 -9.756 1.00 0.00 C ATOM 1373 O SER A 87 -8.893 0.033 -10.302 1.00 0.00 O ATOM 1374 CB SER A 87 -12.031 -0.474 -10.610 1.00 0.00 C ATOM 1375 OG SER A 87 -11.403 -1.509 -11.348 1.00 0.00 O ATOM 0 H SER A 87 -11.354 0.751 -12.658 1.00 0.00 H new ATOM 0 HA SER A 87 -11.707 1.584 -10.070 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.232 -0.818 -9.595 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.994 -0.234 -11.062 1.00 0.00 H new ATOM 0 HG SER A 87 -11.982 -2.300 -11.360 1.00 0.00 H new ATOM 1381 N VAL A 88 -9.926 0.812 -8.456 1.00 0.00 N ATOM 1382 CA VAL A 88 -8.772 0.602 -7.580 1.00 0.00 C ATOM 1383 C VAL A 88 -9.205 0.277 -6.154 1.00 0.00 C ATOM 1384 O VAL A 88 -9.177 1.119 -5.254 1.00 0.00 O ATOM 1385 CB VAL A 88 -7.832 1.823 -7.580 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -6.798 1.700 -8.690 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -8.643 3.101 -7.723 1.00 0.00 C ATOM 0 H VAL A 88 -10.743 1.205 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.225 -0.253 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.297 1.861 -6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.143 2.571 -8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.206 0.798 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.304 1.643 -9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.972 3.960 -7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.199 3.076 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.340 3.185 -6.889 1.00 0.00 H new ATOM 1397 N PRO A 89 -9.607 -0.977 -5.966 1.00 0.00 N ATOM 1398 CA PRO A 89 -10.061 -1.514 -4.687 1.00 0.00 C ATOM 1399 C PRO A 89 -8.904 -1.982 -3.799 1.00 0.00 C ATOM 1400 O PRO A 89 -7.784 -2.171 -4.278 1.00 0.00 O ATOM 1401 CB PRO A 89 -10.924 -2.699 -5.121 1.00 0.00 C ATOM 1402 CG PRO A 89 -10.338 -3.152 -6.423 1.00 0.00 C ATOM 1403 CD PRO A 89 -9.645 -1.976 -7.035 1.00 0.00 C ATOM 0 HA PRO A 89 -10.583 -0.772 -4.083 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.900 -3.497 -4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.967 -2.405 -5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.636 -3.971 -6.264 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.119 -3.525 -7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.641 -2.237 -7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -10.186 -1.605 -7.906 1.00 0.00 H new ATOM 1411 N GLU A 90 -9.188 -2.173 -2.505 1.00 0.00 N ATOM 1412 CA GLU A 90 -8.186 -2.627 -1.533 1.00 0.00 C ATOM 1413 C GLU A 90 -7.007 -1.654 -1.435 1.00 0.00 C ATOM 1414 O GLU A 90 -6.129 -1.637 -2.301 1.00 0.00 O ATOM 1415 CB GLU A 90 -7.685 -4.027 -1.888 1.00 0.00 C ATOM 1416 CG GLU A 90 -8.785 -5.076 -1.973 1.00 0.00 C ATOM 1417 CD GLU A 90 -8.265 -6.439 -2.390 1.00 0.00 C ATOM 1418 OE1 GLU A 90 -7.984 -7.265 -1.497 1.00 0.00 O ATOM 1419 OE2 GLU A 90 -8.139 -6.678 -3.609 1.00 0.00 O ATOM 0 H GLU A 90 -10.113 -2.018 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.673 -2.661 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.164 -3.983 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.955 -4.341 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.276 -5.160 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.541 -4.747 -2.686 1.00 0.00 H new ATOM 1426 N HIS A 91 -6.993 -0.844 -0.373 1.00 0.00 N ATOM 1427 CA HIS A 91 -5.922 0.135 -0.155 1.00 0.00 C ATOM 1428 C HIS A 91 -5.874 0.587 1.309 1.00 0.00 C ATOM 1429 O HIS A 91 -5.551 1.741 1.600 1.00 0.00 O ATOM 1430 CB HIS A 91 -6.109 1.347 -1.081 1.00 0.00 C ATOM 1431 CG HIS A 91 -7.490 1.933 -1.049 1.00 0.00 C ATOM 1432 ND1 HIS A 91 -8.445 1.659 -2.006 1.00 0.00 N ATOM 1433 CD2 HIS A 91 -8.074 2.780 -0.168 1.00 0.00 C ATOM 1434 CE1 HIS A 91 -9.556 2.314 -1.716 1.00 0.00 C ATOM 1435 NE2 HIS A 91 -9.357 3.000 -0.606 1.00 0.00 N ATOM 0 H HIS A 91 -7.712 -0.846 0.351 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.973 -0.347 -0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -5.392 2.119 -0.802 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.875 1.050 -2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.616 3.203 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.471 2.292 -2.290 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.045 3.597 -0.147 1.00 0.00 H new ATOM 1444 N ASP A 92 -6.182 -0.332 2.229 1.00 0.00 N ATOM 1445 CA ASP A 92 -6.158 -0.026 3.660 1.00 0.00 C ATOM 1446 C ASP A 92 -4.799 -0.391 4.250 1.00 0.00 C ATOM 1447 O ASP A 92 -4.424 -1.564 4.282 1.00 0.00 O ATOM 1448 CB ASP A 92 -7.266 -0.777 4.408 1.00 0.00 C ATOM 1449 CG ASP A 92 -8.532 -0.940 3.586 1.00 0.00 C ATOM 1450 OD1 ASP A 92 -8.682 -1.991 2.928 1.00 0.00 O ATOM 1451 OD2 ASP A 92 -9.373 -0.017 3.601 1.00 0.00 O ATOM 0 H ASP A 92 -6.450 -1.291 2.008 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.331 1.044 3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.898 -1.761 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.503 -0.242 5.328 1.00 0.00 H new ATOM 1456 N VAL A 93 -4.069 0.627 4.710 1.00 0.00 N ATOM 1457 CA VAL A 93 -2.740 0.455 5.305 1.00 0.00 C ATOM 1458 C VAL A 93 -1.720 -0.171 4.336 1.00 0.00 C ATOM 1459 O VAL A 93 -0.547 -0.325 4.683 1.00 0.00 O ATOM 1460 CB VAL A 93 -2.843 -0.345 6.628 1.00 0.00 C ATOM 1461 CG1 VAL A 93 -2.408 -1.800 6.481 1.00 0.00 C ATOM 1462 CG2 VAL A 93 -2.054 0.345 7.735 1.00 0.00 C ATOM 0 H VAL A 93 -4.383 1.597 4.681 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.356 1.450 5.529 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.898 -0.364 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.503 -2.307 7.441 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.040 -2.296 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.370 -1.838 6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.139 -0.232 8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.005 0.415 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.453 1.346 7.896 1.00 0.00 H new ATOM 1472 N ALA A 94 -2.168 -0.510 3.118 1.00 0.00 N ATOM 1473 CA ALA A 94 -1.305 -1.104 2.090 1.00 0.00 C ATOM 1474 C ALA A 94 -0.519 -2.314 2.610 1.00 0.00 C ATOM 1475 O ALA A 94 0.448 -2.752 1.983 1.00 0.00 O ATOM 1476 CB ALA A 94 -0.371 -0.048 1.516 1.00 0.00 C ATOM 0 H ALA A 94 -3.135 -0.380 2.820 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.951 -1.476 1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.265 -0.500 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.959 0.754 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.251 0.359 2.313 1.00 0.00 H new ATOM 1482 N ALA A 95 -0.948 -2.856 3.753 1.00 0.00 N ATOM 1483 CA ALA A 95 -0.299 -4.019 4.354 1.00 0.00 C ATOM 1484 C ALA A 95 -1.319 -4.939 5.035 1.00 0.00 C ATOM 1485 O ALA A 95 -0.963 -5.734 5.906 1.00 0.00 O ATOM 1486 CB ALA A 95 0.771 -3.575 5.344 1.00 0.00 C ATOM 0 H ALA A 95 -1.746 -2.504 4.281 1.00 0.00 H new ATOM 0 HA ALA A 95 0.177 -4.589 3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.246 -4.452 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.521 -2.978 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.312 -2.977 6.132 1.00 0.00 H new ATOM 1492 N ALA A 96 -2.589 -4.825 4.628 1.00 0.00 N ATOM 1493 CA ALA A 96 -3.663 -5.642 5.191 1.00 0.00 C ATOM 1494 C ALA A 96 -4.939 -5.514 4.353 1.00 0.00 C ATOM 1495 O ALA A 96 -5.842 -4.747 4.698 1.00 0.00 O ATOM 1496 CB ALA A 96 -3.934 -5.243 6.639 1.00 0.00 C ATOM 0 H ALA A 96 -2.896 -4.171 3.908 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.345 -6.684 5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.736 -5.861 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.031 -5.388 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.229 -4.194 6.678 1.00 0.00 H new ATOM 1502 N PRO A 97 -5.030 -6.259 3.230 1.00 0.00 N ATOM 1503 CA PRO A 97 -6.201 -6.213 2.344 1.00 0.00 C ATOM 1504 C PRO A 97 -7.430 -6.885 2.960 1.00 0.00 C ATOM 1505 O PRO A 97 -7.457 -8.104 3.140 1.00 0.00 O ATOM 1506 CB PRO A 97 -5.733 -6.971 1.097 1.00 0.00 C ATOM 1507 CG PRO A 97 -4.675 -7.896 1.589 1.00 0.00 C ATOM 1508 CD PRO A 97 -3.999 -7.194 2.735 1.00 0.00 C ATOM 0 HA PRO A 97 -6.518 -5.190 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.554 -7.519 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.342 -6.288 0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.107 -8.843 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.961 -8.126 0.798 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.691 -7.897 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.103 -6.666 2.409 1.00 0.00 H new ATOM 1516 N SER A 98 -8.445 -6.079 3.280 1.00 0.00 N ATOM 1517 CA SER A 98 -9.680 -6.591 3.876 1.00 0.00 C ATOM 1518 C SER A 98 -10.834 -5.600 3.687 1.00 0.00 C ATOM 1519 O SER A 98 -11.536 -5.259 4.642 1.00 0.00 O ATOM 1520 CB SER A 98 -9.470 -6.883 5.369 1.00 0.00 C ATOM 1521 OG SER A 98 -9.048 -5.721 6.063 1.00 0.00 O ATOM 0 H SER A 98 -8.435 -5.069 3.136 1.00 0.00 H new ATOM 0 HA SER A 98 -9.942 -7.519 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.398 -7.253 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.726 -7.671 5.487 1.00 0.00 H new ATOM 0 HG SER A 98 -8.923 -5.934 7.011 1.00 0.00 H new ATOM 1527 N SER A 99 -11.024 -5.143 2.447 1.00 0.00 N ATOM 1528 CA SER A 99 -12.092 -4.193 2.130 1.00 0.00 C ATOM 1529 C SER A 99 -13.391 -4.921 1.779 1.00 0.00 C ATOM 1530 O SER A 99 -14.455 -4.593 2.306 1.00 0.00 O ATOM 1531 CB SER A 99 -11.671 -3.283 0.971 1.00 0.00 C ATOM 1532 OG SER A 99 -11.357 -4.038 -0.187 1.00 0.00 O ATOM 0 H SER A 99 -10.453 -5.415 1.647 1.00 0.00 H new ATOM 0 HA SER A 99 -12.270 -3.582 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.475 -2.583 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.806 -2.690 1.267 1.00 0.00 H new ATOM 0 HG SER A 99 -11.093 -3.432 -0.911 1.00 0.00 H new ATOM 1538 N SER A 100 -13.297 -5.909 0.884 1.00 0.00 N ATOM 1539 CA SER A 100 -14.466 -6.684 0.461 1.00 0.00 C ATOM 1540 C SER A 100 -14.149 -8.180 0.407 1.00 0.00 C ATOM 1541 O SER A 100 -14.879 -8.994 0.974 1.00 0.00 O ATOM 1542 CB SER A 100 -14.956 -6.200 -0.908 1.00 0.00 C ATOM 1543 OG SER A 100 -13.914 -6.234 -1.870 1.00 0.00 O ATOM 0 H SER A 100 -12.424 -6.191 0.439 1.00 0.00 H new ATOM 0 HA SER A 100 -15.255 -6.531 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.783 -6.826 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.340 -5.184 -0.821 1.00 0.00 H new ATOM 0 HG SER A 100 -14.256 -5.922 -2.734 1.00 0.00 H new ATOM 1549 N ALA A 101 -13.059 -8.534 -0.280 1.00 0.00 N ATOM 1550 CA ALA A 101 -12.645 -9.931 -0.409 1.00 0.00 C ATOM 1551 C ALA A 101 -11.217 -10.133 0.104 1.00 0.00 C ATOM 1552 O ALA A 101 -10.263 -10.122 -0.677 1.00 0.00 O ATOM 1553 CB ALA A 101 -12.762 -10.380 -1.860 1.00 0.00 C ATOM 0 H ALA A 101 -12.448 -7.870 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.308 -10.542 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.451 -11.421 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.797 -10.282 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.122 -9.758 -2.486 1.00 0.00 H new ATOM 1559 N PRO A 102 -11.048 -10.315 1.434 1.00 0.00 N ATOM 1560 CA PRO A 102 -9.726 -10.514 2.055 1.00 0.00 C ATOM 1561 C PRO A 102 -8.910 -11.626 1.390 1.00 0.00 C ATOM 1562 O PRO A 102 -7.718 -11.456 1.129 1.00 0.00 O ATOM 1563 CB PRO A 102 -10.071 -10.888 3.500 1.00 0.00 C ATOM 1564 CG PRO A 102 -11.379 -10.228 3.741 1.00 0.00 C ATOM 1565 CD PRO A 102 -12.128 -10.329 2.443 1.00 0.00 C ATOM 0 HA PRO A 102 -9.100 -9.626 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.140 -11.968 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.311 -10.533 4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.924 -10.720 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.244 -9.187 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -12.719 -11.243 2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.817 -9.495 2.309 1.00 0.00 H new ATOM 1573 N GLN A 103 -9.559 -12.763 1.119 1.00 0.00 N ATOM 1574 CA GLN A 103 -8.891 -13.901 0.483 1.00 0.00 C ATOM 1575 C GLN A 103 -9.764 -14.510 -0.621 1.00 0.00 C ATOM 1576 O GLN A 103 -9.856 -15.733 -0.748 1.00 0.00 O ATOM 1577 CB GLN A 103 -8.527 -14.968 1.531 1.00 0.00 C ATOM 1578 CG GLN A 103 -9.716 -15.542 2.294 1.00 0.00 C ATOM 1579 CD GLN A 103 -10.162 -14.664 3.451 1.00 0.00 C ATOM 1580 OE1 GLN A 103 -9.375 -14.351 4.345 1.00 0.00 O ATOM 1581 NE2 GLN A 103 -11.431 -14.263 3.443 1.00 0.00 N ATOM 0 H GLN A 103 -10.545 -12.919 1.330 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.973 -13.536 0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.004 -15.784 1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.829 -14.532 2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -10.550 -15.677 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.453 -16.529 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.050 -14.545 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.784 -13.674 4.197 1.00 0.00 H new ATOM 1590 N GLU A 104 -10.392 -13.644 -1.426 1.00 0.00 N ATOM 1591 CA GLU A 104 -11.252 -14.076 -2.529 1.00 0.00 C ATOM 1592 C GLU A 104 -12.251 -15.152 -2.082 1.00 0.00 C ATOM 1593 O GLU A 104 -12.028 -16.347 -2.286 1.00 0.00 O ATOM 1594 CB GLU A 104 -10.391 -14.586 -3.690 1.00 0.00 C ATOM 1595 CG GLU A 104 -11.080 -14.524 -5.048 1.00 0.00 C ATOM 1596 CD GLU A 104 -11.076 -13.129 -5.647 1.00 0.00 C ATOM 1597 OE1 GLU A 104 -10.110 -12.793 -6.363 1.00 0.00 O ATOM 1598 OE2 GLU A 104 -12.040 -12.374 -5.399 1.00 0.00 O ATOM 0 H GLU A 104 -10.318 -12.631 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.832 -13.216 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.473 -14.000 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.101 -15.617 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.583 -15.210 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.109 -14.867 -4.944 1.00 0.00 H new ATOM 1605 N SER A 105 -13.353 -14.711 -1.471 1.00 0.00 N ATOM 1606 CA SER A 105 -14.391 -15.624 -0.992 1.00 0.00 C ATOM 1607 C SER A 105 -15.652 -15.513 -1.845 1.00 0.00 C ATOM 1608 O SER A 105 -16.096 -14.373 -2.100 1.00 0.00 O ATOM 1609 CB SER A 105 -14.723 -15.328 0.475 1.00 0.00 C ATOM 1610 OG SER A 105 -15.554 -16.334 1.028 1.00 0.00 O ATOM 1611 OXT SER A 105 -16.185 -16.567 -2.253 1.00 0.00 O ATOM 0 H SER A 105 -13.549 -13.725 -1.296 1.00 0.00 H new ATOM 0 HA SER A 105 -14.010 -16.642 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.801 -15.258 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 105 -15.220 -14.361 0.550 1.00 0.00 H new ATOM 0 HG SER A 105 -15.748 -16.120 1.964 1.00 0.00 H new TER 1617 SER A 105