USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 46:sc= 0.232 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.72) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -105:sc= -4.46! USER MOD Single : A 28 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 29 ASN : amide:sc= -3.05! C(o=-3!,f=-3!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -62:sc= 0.116 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -151:sc=-0.00224 (180deg=-0.141) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.0403 (180deg=-0.292) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0274) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 59:sc= 1.31 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.114 28.640 -14.773 1.00 0.00 N ATOM 2 CA GLY A 1 4.421 27.380 -14.576 1.00 0.00 C ATOM 3 C GLY A 1 5.356 26.189 -14.636 1.00 0.00 C ATOM 4 O GLY A 1 5.954 25.912 -15.676 1.00 0.00 O ATOM 0 H1 GLY A 1 4.431 29.423 -14.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.834 28.760 -14.032 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.574 28.641 -15.706 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.916 27.394 -13.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.649 27.271 -15.337 1.00 0.00 H new ATOM 8 N SER A 2 5.484 25.482 -13.517 1.00 0.00 N ATOM 9 CA SER A 2 6.358 24.317 -13.445 1.00 0.00 C ATOM 10 C SER A 2 6.169 23.577 -12.125 1.00 0.00 C ATOM 11 O SER A 2 6.378 24.140 -11.050 1.00 0.00 O ATOM 12 CB SER A 2 7.820 24.739 -13.603 1.00 0.00 C ATOM 13 OG SER A 2 8.666 23.609 -13.729 1.00 0.00 O ATOM 0 H SER A 2 4.994 25.696 -12.649 1.00 0.00 H new ATOM 0 HA SER A 2 6.093 23.643 -14.260 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.925 25.376 -14.481 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.126 25.332 -12.741 1.00 0.00 H new ATOM 0 HG SER A 2 9.595 23.905 -13.830 1.00 0.00 H new ATOM 19 N SER A 3 5.773 22.312 -12.214 1.00 0.00 N ATOM 20 CA SER A 3 5.551 21.495 -11.026 1.00 0.00 C ATOM 21 C SER A 3 4.444 22.085 -10.159 1.00 0.00 C ATOM 22 O SER A 3 4.564 22.146 -8.936 1.00 0.00 O ATOM 23 CB SER A 3 6.843 21.377 -10.215 1.00 0.00 C ATOM 24 OG SER A 3 7.636 20.295 -10.672 1.00 0.00 O ATOM 0 H SER A 3 5.599 21.830 -13.096 1.00 0.00 H new ATOM 0 HA SER A 3 5.242 20.501 -11.351 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.410 22.305 -10.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.603 21.236 -9.161 1.00 0.00 H new ATOM 0 HG SER A 3 8.456 20.242 -10.139 1.00 0.00 H new ATOM 30 N GLY A 4 3.365 22.519 -10.802 1.00 0.00 N ATOM 31 CA GLY A 4 2.251 23.100 -10.075 1.00 0.00 C ATOM 32 C GLY A 4 1.128 22.108 -9.846 1.00 0.00 C ATOM 33 O GLY A 4 0.300 21.882 -10.729 1.00 0.00 O ATOM 0 H GLY A 4 3.242 22.479 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.604 23.473 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.867 23.957 -10.628 1.00 0.00 H new ATOM 37 N SER A 5 1.099 21.512 -8.658 1.00 0.00 N ATOM 38 CA SER A 5 0.072 20.535 -8.318 1.00 0.00 C ATOM 39 C SER A 5 -1.204 21.228 -7.849 1.00 0.00 C ATOM 40 O SER A 5 -1.154 22.200 -7.096 1.00 0.00 O ATOM 41 CB SER A 5 0.581 19.587 -7.230 1.00 0.00 C ATOM 42 OG SER A 5 -0.131 18.362 -7.247 1.00 0.00 O ATOM 0 H SER A 5 1.775 21.689 -7.915 1.00 0.00 H new ATOM 0 HA SER A 5 -0.157 19.959 -9.214 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.644 19.396 -7.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.475 20.059 -6.253 1.00 0.00 H new ATOM 0 HG SER A 5 0.214 17.773 -6.544 1.00 0.00 H new ATOM 48 N SER A 6 -2.346 20.719 -8.299 1.00 0.00 N ATOM 49 CA SER A 6 -3.636 21.290 -7.929 1.00 0.00 C ATOM 50 C SER A 6 -4.197 20.605 -6.687 1.00 0.00 C ATOM 51 O SER A 6 -4.493 21.256 -5.686 1.00 0.00 O ATOM 52 CB SER A 6 -4.626 21.160 -9.088 1.00 0.00 C ATOM 53 OG SER A 6 -4.492 22.240 -9.997 1.00 0.00 O ATOM 0 H SER A 6 -2.405 19.912 -8.920 1.00 0.00 H new ATOM 0 HA SER A 6 -3.487 22.346 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.458 20.218 -9.610 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.644 21.132 -8.699 1.00 0.00 H new ATOM 0 HG SER A 6 -5.134 22.133 -10.729 1.00 0.00 H new ATOM 59 N GLY A 7 -4.340 19.285 -6.760 1.00 0.00 N ATOM 60 CA GLY A 7 -4.865 18.533 -5.636 1.00 0.00 C ATOM 61 C GLY A 7 -5.422 17.185 -6.049 1.00 0.00 C ATOM 62 O GLY A 7 -6.635 16.978 -6.095 1.00 0.00 O ATOM 0 H GLY A 7 -4.102 18.724 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.074 18.386 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.649 19.113 -5.149 1.00 0.00 H new ATOM 66 N PRO A 8 -4.523 16.240 -6.362 1.00 0.00 N ATOM 67 CA PRO A 8 -4.909 14.889 -6.780 1.00 0.00 C ATOM 68 C PRO A 8 -5.511 14.078 -5.639 1.00 0.00 C ATOM 69 O PRO A 8 -4.791 13.453 -4.858 1.00 0.00 O ATOM 70 CB PRO A 8 -3.586 14.268 -7.238 1.00 0.00 C ATOM 71 CG PRO A 8 -2.538 15.016 -6.488 1.00 0.00 C ATOM 72 CD PRO A 8 -3.062 16.416 -6.329 1.00 0.00 C ATOM 0 HA PRO A 8 -5.678 14.906 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.550 13.202 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.452 14.371 -8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.350 14.557 -5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.593 15.012 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.732 16.864 -5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.718 17.067 -7.132 1.00 0.00 H new ATOM 80 N THR A 9 -6.837 14.089 -5.546 1.00 0.00 N ATOM 81 CA THR A 9 -7.537 13.355 -4.499 1.00 0.00 C ATOM 82 C THR A 9 -8.197 12.100 -5.055 1.00 0.00 C ATOM 83 O THR A 9 -9.125 12.178 -5.860 1.00 0.00 O ATOM 84 CB THR A 9 -8.609 14.229 -3.821 1.00 0.00 C ATOM 85 OG1 THR A 9 -9.423 14.864 -4.813 1.00 0.00 O ATOM 86 CG2 THR A 9 -7.967 15.284 -2.934 1.00 0.00 C ATOM 0 H THR A 9 -7.448 14.599 -6.184 1.00 0.00 H new ATOM 0 HA THR A 9 -6.790 13.071 -3.758 1.00 0.00 H new ATOM 0 HB THR A 9 -9.231 13.584 -3.199 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.681 14.208 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.744 15.888 -2.466 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.372 14.797 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.324 15.924 -3.537 1.00 0.00 H new ATOM 94 N LYS A 10 -7.714 10.940 -4.621 1.00 0.00 N ATOM 95 CA LYS A 10 -8.259 9.666 -5.074 1.00 0.00 C ATOM 96 C LYS A 10 -9.708 9.504 -4.626 1.00 0.00 C ATOM 97 O LYS A 10 -10.101 10.001 -3.571 1.00 0.00 O ATOM 98 CB LYS A 10 -7.415 8.508 -4.536 1.00 0.00 C ATOM 99 CG LYS A 10 -7.478 7.259 -5.399 1.00 0.00 C ATOM 100 CD LYS A 10 -7.071 6.021 -4.617 1.00 0.00 C ATOM 101 CE LYS A 10 -7.437 4.746 -5.362 1.00 0.00 C ATOM 102 NZ LYS A 10 -6.621 4.572 -6.596 1.00 0.00 N ATOM 0 H LYS A 10 -6.946 10.857 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.231 9.653 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.377 8.832 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.751 8.261 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.490 7.132 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.822 7.378 -6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.997 6.041 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.560 6.028 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.292 3.888 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.494 4.770 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.900 3.692 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.779 5.379 -7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.614 4.523 -6.342 1.00 0.00 H new ATOM 116 N TYR A 11 -10.497 8.804 -5.434 1.00 0.00 N ATOM 117 CA TYR A 11 -11.903 8.577 -5.121 1.00 0.00 C ATOM 118 C TYR A 11 -12.109 8.427 -3.617 1.00 0.00 C ATOM 119 O TYR A 11 -12.781 9.242 -2.985 1.00 0.00 O ATOM 120 CB TYR A 11 -12.413 7.330 -5.845 1.00 0.00 C ATOM 121 CG TYR A 11 -11.810 7.137 -7.218 1.00 0.00 C ATOM 122 CD1 TYR A 11 -10.624 6.434 -7.385 1.00 0.00 C ATOM 123 CD2 TYR A 11 -12.428 7.658 -8.348 1.00 0.00 C ATOM 124 CE1 TYR A 11 -10.069 6.256 -8.638 1.00 0.00 C ATOM 125 CE2 TYR A 11 -11.882 7.483 -9.605 1.00 0.00 C ATOM 126 CZ TYR A 11 -10.702 6.783 -9.745 1.00 0.00 C ATOM 127 OH TYR A 11 -10.154 6.607 -10.994 1.00 0.00 O ATOM 0 H TYR A 11 -10.187 8.384 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.470 9.444 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.196 6.452 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -13.497 7.393 -5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.127 6.019 -6.521 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.351 8.209 -8.242 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.145 5.708 -8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.377 7.892 -10.473 1.00 0.00 H new ATOM 0 HH TYR A 11 -10.723 7.038 -11.665 1.00 0.00 H new ATOM 137 N LYS A 12 -11.525 7.378 -3.049 1.00 0.00 N ATOM 138 CA LYS A 12 -11.641 7.118 -1.619 1.00 0.00 C ATOM 139 C LYS A 12 -10.282 6.778 -1.015 1.00 0.00 C ATOM 140 O LYS A 12 -9.277 6.714 -1.723 1.00 0.00 O ATOM 141 CB LYS A 12 -12.624 5.974 -1.365 1.00 0.00 C ATOM 142 CG LYS A 12 -14.024 6.246 -1.890 1.00 0.00 C ATOM 143 CD LYS A 12 -15.031 5.254 -1.334 1.00 0.00 C ATOM 144 CE LYS A 12 -14.996 3.938 -2.096 1.00 0.00 C ATOM 145 NZ LYS A 12 -15.438 2.795 -1.251 1.00 0.00 N ATOM 0 H LYS A 12 -10.966 6.693 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.015 8.023 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.240 5.066 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.678 5.784 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.324 7.259 -1.621 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.022 6.192 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.820 5.071 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.032 5.681 -1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.638 4.010 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.984 3.754 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.400 1.917 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.810 2.710 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.413 2.958 -0.929 1.00 0.00 H new ATOM 159 N GLU A 13 -10.259 6.559 0.296 1.00 0.00 N ATOM 160 CA GLU A 13 -9.023 6.224 0.992 1.00 0.00 C ATOM 161 C GLU A 13 -8.990 4.744 1.362 1.00 0.00 C ATOM 162 O GLU A 13 -10.017 4.065 1.339 1.00 0.00 O ATOM 163 CB GLU A 13 -8.874 7.079 2.252 1.00 0.00 C ATOM 164 CG GLU A 13 -10.034 6.939 3.224 1.00 0.00 C ATOM 165 CD GLU A 13 -9.764 7.613 4.555 1.00 0.00 C ATOM 166 OE1 GLU A 13 -8.641 7.462 5.081 1.00 0.00 O ATOM 167 OE2 GLU A 13 -10.676 8.291 5.072 1.00 0.00 O ATOM 0 H GLU A 13 -11.082 6.608 0.897 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.190 6.431 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.950 6.804 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.779 8.125 1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.931 7.370 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.237 5.881 3.391 1.00 0.00 H new ATOM 174 N ARG A 14 -7.804 4.251 1.703 1.00 0.00 N ATOM 175 CA ARG A 14 -7.637 2.852 2.076 1.00 0.00 C ATOM 176 C ARG A 14 -8.396 2.537 3.362 1.00 0.00 C ATOM 177 O ARG A 14 -8.905 3.437 4.030 1.00 0.00 O ATOM 178 CB ARG A 14 -6.153 2.523 2.254 1.00 0.00 C ATOM 179 CG ARG A 14 -5.299 2.892 1.052 1.00 0.00 C ATOM 180 CD ARG A 14 -5.392 1.839 -0.041 1.00 0.00 C ATOM 181 NE ARG A 14 -4.884 2.330 -1.319 1.00 0.00 N ATOM 182 CZ ARG A 14 -5.475 3.286 -2.027 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.590 3.851 -1.584 1.00 0.00 N ATOM 184 NH2 ARG A 14 -4.951 3.679 -3.181 1.00 0.00 N ATOM 0 H ARG A 14 -6.945 4.800 1.729 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.045 2.237 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.776 3.048 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.047 1.456 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.620 3.856 0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.260 3.005 1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.828 0.956 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.430 1.529 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.028 1.916 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.996 3.552 -0.697 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.042 4.585 -2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.094 3.247 -3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.406 4.413 -3.724 1.00 0.00 H new ATOM 198 N ALA A 15 -8.468 1.255 3.702 1.00 0.00 N ATOM 199 CA ALA A 15 -9.164 0.822 4.907 1.00 0.00 C ATOM 200 C ALA A 15 -8.256 0.917 6.129 1.00 0.00 C ATOM 201 O ALA A 15 -7.029 0.918 6.022 1.00 0.00 O ATOM 202 CB ALA A 15 -9.677 -0.601 4.738 1.00 0.00 C ATOM 0 H ALA A 15 -8.053 0.498 3.160 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.014 1.486 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.195 -0.911 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.367 -0.641 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.837 -1.271 4.552 1.00 0.00 H new ATOM 208 N PRO A 16 -8.870 1.000 7.318 1.00 0.00 N ATOM 209 CA PRO A 16 -8.135 1.097 8.583 1.00 0.00 C ATOM 210 C PRO A 16 -7.414 -0.199 8.936 1.00 0.00 C ATOM 211 O PRO A 16 -6.476 -0.200 9.732 1.00 0.00 O ATOM 212 CB PRO A 16 -9.233 1.394 9.609 1.00 0.00 C ATOM 213 CG PRO A 16 -10.475 0.834 9.007 1.00 0.00 C ATOM 214 CD PRO A 16 -10.329 1.004 7.520 1.00 0.00 C ATOM 0 HA PRO A 16 -7.353 1.855 8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.014 0.928 10.570 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.328 2.465 9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.596 -0.217 9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.357 1.358 9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.813 0.194 6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.780 1.935 7.176 1.00 0.00 H new ATOM 222 N GLU A 17 -7.858 -1.300 8.338 1.00 0.00 N ATOM 223 CA GLU A 17 -7.253 -2.603 8.590 1.00 0.00 C ATOM 224 C GLU A 17 -6.144 -2.892 7.583 1.00 0.00 C ATOM 225 O GLU A 17 -5.183 -3.597 7.889 1.00 0.00 O ATOM 226 CB GLU A 17 -8.315 -3.703 8.528 1.00 0.00 C ATOM 227 CG GLU A 17 -9.189 -3.777 9.768 1.00 0.00 C ATOM 228 CD GLU A 17 -10.460 -4.571 9.539 1.00 0.00 C ATOM 229 OE1 GLU A 17 -11.364 -4.056 8.848 1.00 0.00 O ATOM 230 OE2 GLU A 17 -10.552 -5.706 10.051 1.00 0.00 O ATOM 0 H GLU A 17 -8.634 -1.316 7.676 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.816 -2.586 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.949 -3.536 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.822 -4.664 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.622 -4.232 10.581 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.448 -2.767 10.086 1.00 0.00 H new ATOM 237 N GLN A 18 -6.287 -2.344 6.380 1.00 0.00 N ATOM 238 CA GLN A 18 -5.299 -2.545 5.327 1.00 0.00 C ATOM 239 C GLN A 18 -4.056 -1.697 5.578 1.00 0.00 C ATOM 240 O GLN A 18 -2.931 -2.192 5.516 1.00 0.00 O ATOM 241 CB GLN A 18 -5.899 -2.200 3.963 1.00 0.00 C ATOM 242 CG GLN A 18 -7.113 -3.040 3.603 1.00 0.00 C ATOM 243 CD GLN A 18 -7.707 -2.662 2.260 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.896 -2.358 2.158 1.00 0.00 O ATOM 245 NE2 GLN A 18 -6.880 -2.679 1.221 1.00 0.00 N ATOM 0 H GLN A 18 -7.077 -1.758 6.111 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.007 -3.595 5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.181 -1.147 3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.136 -2.332 3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.830 -4.093 3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.872 -2.925 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.902 -2.937 1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.223 -2.434 0.292 1.00 0.00 H new ATOM 254 N LEU A 19 -4.268 -0.416 5.862 1.00 0.00 N ATOM 255 CA LEU A 19 -3.164 0.502 6.123 1.00 0.00 C ATOM 256 C LEU A 19 -2.288 -0.009 7.262 1.00 0.00 C ATOM 257 O LEU A 19 -1.061 -0.014 7.160 1.00 0.00 O ATOM 258 CB LEU A 19 -3.702 1.893 6.462 1.00 0.00 C ATOM 259 CG LEU A 19 -4.110 2.764 5.274 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.726 4.069 5.754 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.911 3.037 4.376 1.00 0.00 C ATOM 0 H LEU A 19 -5.193 0.010 5.917 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.555 0.564 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.567 1.777 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.941 2.426 7.033 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.859 2.225 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.010 4.675 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.610 3.855 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.000 4.613 6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.220 3.658 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.140 3.555 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.514 2.093 4.003 1.00 0.00 H new ATOM 273 N ARG A 20 -2.926 -0.440 8.345 1.00 0.00 N ATOM 274 CA ARG A 20 -2.205 -0.955 9.502 1.00 0.00 C ATOM 275 C ARG A 20 -1.066 -1.873 9.069 1.00 0.00 C ATOM 276 O ARG A 20 0.038 -1.806 9.609 1.00 0.00 O ATOM 277 CB ARG A 20 -3.158 -1.710 10.430 1.00 0.00 C ATOM 278 CG ARG A 20 -2.465 -2.369 11.611 1.00 0.00 C ATOM 279 CD ARG A 20 -3.374 -3.374 12.301 1.00 0.00 C ATOM 280 NE ARG A 20 -2.804 -3.855 13.557 1.00 0.00 N ATOM 281 CZ ARG A 20 -2.855 -3.174 14.696 1.00 0.00 C ATOM 282 NH1 ARG A 20 -3.448 -1.989 14.738 1.00 0.00 N ATOM 283 NH2 ARG A 20 -2.313 -3.679 15.797 1.00 0.00 N ATOM 0 H ARG A 20 -3.941 -0.443 8.445 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.781 -0.107 10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.913 -1.018 10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.682 -2.473 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.560 -2.871 11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.156 -1.606 12.325 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.342 -2.913 12.495 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.551 -4.219 11.636 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.341 -4.764 13.559 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.867 -1.598 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.486 -1.468 15.614 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.857 -4.591 15.769 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.353 -3.155 16.671 1.00 0.00 H new ATOM 297 N ALA A 21 -1.342 -2.730 8.092 1.00 0.00 N ATOM 298 CA ALA A 21 -0.341 -3.660 7.586 1.00 0.00 C ATOM 299 C ALA A 21 0.694 -2.940 6.728 1.00 0.00 C ATOM 300 O ALA A 21 1.898 -3.143 6.888 1.00 0.00 O ATOM 301 CB ALA A 21 -1.008 -4.772 6.789 1.00 0.00 C ATOM 0 H ALA A 21 -2.251 -2.799 7.635 1.00 0.00 H new ATOM 0 HA ALA A 21 0.175 -4.099 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.248 -5.459 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.704 -5.313 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.551 -4.341 5.948 1.00 0.00 H new ATOM 307 N LEU A 22 0.218 -2.098 5.817 1.00 0.00 N ATOM 308 CA LEU A 22 1.102 -1.347 4.933 1.00 0.00 C ATOM 309 C LEU A 22 1.973 -0.379 5.727 1.00 0.00 C ATOM 310 O LEU A 22 3.194 -0.525 5.775 1.00 0.00 O ATOM 311 CB LEU A 22 0.284 -0.579 3.893 1.00 0.00 C ATOM 312 CG LEU A 22 -0.646 -1.419 3.017 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.705 -0.541 2.368 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.150 -2.169 1.959 1.00 0.00 C ATOM 0 H LEU A 22 -0.775 -1.918 5.671 1.00 0.00 H new ATOM 0 HA LEU A 22 1.753 -2.057 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.316 0.169 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.974 -0.040 3.243 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.148 -2.150 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.358 -1.156 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.296 -0.051 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.222 0.214 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.529 -2.761 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.680 -1.455 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.869 -2.828 2.444 1.00 0.00 H new ATOM 326 N GLU A 23 1.336 0.607 6.351 1.00 0.00 N ATOM 327 CA GLU A 23 2.053 1.597 7.145 1.00 0.00 C ATOM 328 C GLU A 23 3.197 0.949 7.920 1.00 0.00 C ATOM 329 O GLU A 23 4.348 1.375 7.821 1.00 0.00 O ATOM 330 CB GLU A 23 1.098 2.296 8.115 1.00 0.00 C ATOM 331 CG GLU A 23 0.363 3.475 7.501 1.00 0.00 C ATOM 332 CD GLU A 23 -0.093 4.483 8.538 1.00 0.00 C ATOM 333 OE1 GLU A 23 -1.108 4.220 9.216 1.00 0.00 O ATOM 334 OE2 GLU A 23 0.567 5.535 8.672 1.00 0.00 O ATOM 0 H GLU A 23 0.325 0.741 6.322 1.00 0.00 H new ATOM 0 HA GLU A 23 2.472 2.337 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.368 1.572 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.662 2.641 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.015 3.970 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.503 3.111 6.949 1.00 0.00 H new ATOM 341 N SER A 24 2.871 -0.084 8.690 1.00 0.00 N ATOM 342 CA SER A 24 3.870 -0.789 9.485 1.00 0.00 C ATOM 343 C SER A 24 4.965 -1.367 8.594 1.00 0.00 C ATOM 344 O SER A 24 6.143 -1.350 8.950 1.00 0.00 O ATOM 345 CB SER A 24 3.211 -1.909 10.294 1.00 0.00 C ATOM 346 OG SER A 24 4.123 -2.474 11.220 1.00 0.00 O ATOM 0 H SER A 24 1.924 -0.451 8.780 1.00 0.00 H new ATOM 0 HA SER A 24 4.324 -0.073 10.170 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.344 -1.516 10.826 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.847 -2.683 9.619 1.00 0.00 H new ATOM 0 HG SER A 24 3.677 -3.186 11.725 1.00 0.00 H new ATOM 352 N SER A 25 4.567 -1.878 7.433 1.00 0.00 N ATOM 353 CA SER A 25 5.513 -2.465 6.492 1.00 0.00 C ATOM 354 C SER A 25 6.422 -1.394 5.896 1.00 0.00 C ATOM 355 O SER A 25 7.598 -1.641 5.627 1.00 0.00 O ATOM 356 CB SER A 25 4.766 -3.195 5.374 1.00 0.00 C ATOM 357 OG SER A 25 5.667 -3.881 4.522 1.00 0.00 O ATOM 0 H SER A 25 3.596 -1.897 7.122 1.00 0.00 H new ATOM 0 HA SER A 25 6.131 -3.181 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.059 -3.903 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.185 -2.479 4.793 1.00 0.00 H new ATOM 0 HG SER A 25 5.754 -3.393 3.677 1.00 0.00 H new ATOM 363 N PHE A 26 5.869 -0.203 5.694 1.00 0.00 N ATOM 364 CA PHE A 26 6.628 0.907 5.130 1.00 0.00 C ATOM 365 C PHE A 26 7.860 1.210 5.978 1.00 0.00 C ATOM 366 O PHE A 26 8.956 1.402 5.453 1.00 0.00 O ATOM 367 CB PHE A 26 5.748 2.154 5.025 1.00 0.00 C ATOM 368 CG PHE A 26 6.396 3.284 4.278 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.945 3.079 3.023 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.457 4.553 4.832 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.543 4.117 2.334 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.053 5.596 4.148 1.00 0.00 C ATOM 373 CZ PHE A 26 7.596 5.377 2.897 1.00 0.00 C ATOM 0 H PHE A 26 4.898 0.018 5.913 1.00 0.00 H new ATOM 0 HA PHE A 26 6.957 0.619 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.814 1.889 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.491 2.493 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.905 2.096 2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.034 4.729 5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.968 3.943 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.094 6.580 4.591 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.061 6.190 2.360 1.00 0.00 H new ATOM 383 N ALA A 27 7.669 1.253 7.293 1.00 0.00 N ATOM 384 CA ALA A 27 8.764 1.531 8.214 1.00 0.00 C ATOM 385 C ALA A 27 9.968 0.642 7.922 1.00 0.00 C ATOM 386 O ALA A 27 11.110 1.098 7.956 1.00 0.00 O ATOM 387 CB ALA A 27 8.303 1.343 9.652 1.00 0.00 C ATOM 0 H ALA A 27 6.767 1.099 7.744 1.00 0.00 H new ATOM 0 HA ALA A 27 9.070 2.568 8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.130 1.554 10.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.479 2.025 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.969 0.315 9.796 1.00 0.00 H new ATOM 393 N GLN A 28 9.703 -0.629 7.635 1.00 0.00 N ATOM 394 CA GLN A 28 10.766 -1.581 7.338 1.00 0.00 C ATOM 395 C GLN A 28 11.389 -1.296 5.976 1.00 0.00 C ATOM 396 O GLN A 28 12.606 -1.166 5.854 1.00 0.00 O ATOM 397 CB GLN A 28 10.223 -3.011 7.375 1.00 0.00 C ATOM 398 CG GLN A 28 10.163 -3.604 8.773 1.00 0.00 C ATOM 399 CD GLN A 28 11.534 -3.757 9.402 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.415 -4.411 8.844 1.00 0.00 O ATOM 401 NE2 GLN A 28 11.721 -3.154 10.570 1.00 0.00 N ATOM 0 H GLN A 28 8.762 -1.022 7.602 1.00 0.00 H new ATOM 0 HA GLN A 28 11.539 -1.473 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.223 -3.022 6.942 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.849 -3.645 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.546 -2.968 9.407 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.677 -4.579 8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.962 -2.622 10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.623 -3.223 11.041 1.00 0.00 H new ATOM 410 N ASN A 29 10.544 -1.199 4.954 1.00 0.00 N ATOM 411 CA ASN A 29 11.012 -0.929 3.599 1.00 0.00 C ATOM 412 C ASN A 29 9.952 -0.181 2.796 1.00 0.00 C ATOM 413 O ASN A 29 8.756 -0.457 2.892 1.00 0.00 O ATOM 414 CB ASN A 29 11.375 -2.237 2.893 1.00 0.00 C ATOM 415 CG ASN A 29 12.412 -2.037 1.804 1.00 0.00 C ATOM 416 OD1 ASN A 29 13.559 -1.686 2.081 1.00 0.00 O ATOM 417 ND2 ASN A 29 12.012 -2.261 0.558 1.00 0.00 N ATOM 0 H ASN A 29 9.533 -1.303 5.038 1.00 0.00 H new ATOM 0 HA ASN A 29 11.901 -0.301 3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.754 -2.949 3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.476 -2.674 2.459 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.665 -2.143 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.051 -2.551 0.375 1.00 0.00 H new ATOM 424 N PRO A 30 10.399 0.789 1.985 1.00 0.00 N ATOM 425 CA PRO A 30 9.505 1.596 1.148 1.00 0.00 C ATOM 426 C PRO A 30 8.893 0.789 0.008 1.00 0.00 C ATOM 427 O PRO A 30 7.686 0.850 -0.231 1.00 0.00 O ATOM 428 CB PRO A 30 10.426 2.687 0.597 1.00 0.00 C ATOM 429 CG PRO A 30 11.788 2.085 0.626 1.00 0.00 C ATOM 430 CD PRO A 30 11.811 1.172 1.821 1.00 0.00 C ATOM 0 HA PRO A 30 8.655 1.981 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.141 2.971 -0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.379 3.589 1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.990 1.532 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.554 2.856 0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.446 0.303 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.195 1.679 2.706 1.00 0.00 H new ATOM 438 N LEU A 31 9.731 0.033 -0.692 1.00 0.00 N ATOM 439 CA LEU A 31 9.272 -0.787 -1.808 1.00 0.00 C ATOM 440 C LEU A 31 9.590 -2.259 -1.569 1.00 0.00 C ATOM 441 O LEU A 31 10.589 -2.790 -2.054 1.00 0.00 O ATOM 442 CB LEU A 31 9.920 -0.318 -3.112 1.00 0.00 C ATOM 443 CG LEU A 31 9.530 1.081 -3.590 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.204 1.398 -4.916 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.019 1.199 -3.717 1.00 0.00 C ATOM 0 H LEU A 31 10.732 -0.029 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 31 8.191 -0.676 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.002 -0.349 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.668 -1.032 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 31 9.870 1.805 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.915 2.397 -5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.286 1.355 -4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.894 0.669 -5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.760 2.201 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.656 0.465 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.557 1.015 -2.747 1.00 0.00 H new ATOM 457 N PRO A 32 8.721 -2.936 -0.804 1.00 0.00 N ATOM 458 CA PRO A 32 8.887 -4.357 -0.485 1.00 0.00 C ATOM 459 C PRO A 32 8.667 -5.253 -1.699 1.00 0.00 C ATOM 460 O PRO A 32 7.722 -5.058 -2.465 1.00 0.00 O ATOM 461 CB PRO A 32 7.808 -4.613 0.570 1.00 0.00 C ATOM 462 CG PRO A 32 6.770 -3.577 0.309 1.00 0.00 C ATOM 463 CD PRO A 32 7.509 -2.367 -0.192 1.00 0.00 C ATOM 0 HA PRO A 32 9.898 -4.582 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.396 -5.618 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.211 -4.524 1.579 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.047 -3.926 -0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.213 -3.346 1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.918 -1.807 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.753 -1.681 0.619 1.00 0.00 H new ATOM 471 N LEU A 33 9.545 -6.236 -1.870 1.00 0.00 N ATOM 472 CA LEU A 33 9.446 -7.163 -2.992 1.00 0.00 C ATOM 473 C LEU A 33 8.224 -8.065 -2.847 1.00 0.00 C ATOM 474 O LEU A 33 7.424 -7.900 -1.927 1.00 0.00 O ATOM 475 CB LEU A 33 10.713 -8.014 -3.089 1.00 0.00 C ATOM 476 CG LEU A 33 12.007 -7.259 -3.397 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.212 -8.169 -3.219 1.00 0.00 C ATOM 478 CD2 LEU A 33 11.969 -6.691 -4.809 1.00 0.00 C ATOM 0 H LEU A 33 10.333 -6.411 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 33 9.337 -6.579 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.842 -8.546 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.562 -8.767 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 33 12.097 -6.430 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.123 -7.614 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.249 -8.527 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.129 -9.019 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.897 -6.157 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.855 -7.504 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.128 -6.004 -4.902 1.00 0.00 H new ATOM 490 N ASP A 34 8.089 -9.020 -3.761 1.00 0.00 N ATOM 491 CA ASP A 34 6.966 -9.950 -3.734 1.00 0.00 C ATOM 492 C ASP A 34 6.952 -10.746 -2.432 1.00 0.00 C ATOM 493 O ASP A 34 5.890 -11.028 -1.878 1.00 0.00 O ATOM 494 CB ASP A 34 7.038 -10.904 -4.927 1.00 0.00 C ATOM 495 CG ASP A 34 8.463 -11.172 -5.370 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.139 -12.001 -4.725 1.00 0.00 O ATOM 497 OD2 ASP A 34 8.901 -10.554 -6.362 1.00 0.00 O ATOM 0 H ASP A 34 8.743 -9.170 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 34 6.045 -9.371 -3.796 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.559 -11.847 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.475 -10.483 -5.760 1.00 0.00 H new ATOM 502 N GLU A 35 8.138 -11.104 -1.950 1.00 0.00 N ATOM 503 CA GLU A 35 8.260 -11.868 -0.714 1.00 0.00 C ATOM 504 C GLU A 35 7.596 -11.135 0.448 1.00 0.00 C ATOM 505 O GLU A 35 6.718 -11.678 1.117 1.00 0.00 O ATOM 506 CB GLU A 35 9.733 -12.128 -0.392 1.00 0.00 C ATOM 507 CG GLU A 35 10.558 -10.859 -0.252 1.00 0.00 C ATOM 508 CD GLU A 35 12.046 -11.111 -0.401 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.483 -11.432 -1.526 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.773 -10.988 0.607 1.00 0.00 O ATOM 0 H GLU A 35 9.027 -10.878 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 35 7.752 -12.822 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.799 -12.698 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.165 -12.747 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.238 -10.138 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.365 -10.410 0.722 1.00 0.00 H new ATOM 517 N GLU A 36 8.022 -9.897 0.680 1.00 0.00 N ATOM 518 CA GLU A 36 7.470 -9.090 1.762 1.00 0.00 C ATOM 519 C GLU A 36 6.019 -8.715 1.474 1.00 0.00 C ATOM 520 O GLU A 36 5.262 -8.372 2.383 1.00 0.00 O ATOM 521 CB GLU A 36 8.306 -7.824 1.961 1.00 0.00 C ATOM 522 CG GLU A 36 7.730 -6.871 2.994 1.00 0.00 C ATOM 523 CD GLU A 36 7.474 -7.543 4.330 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.310 -8.372 4.747 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.438 -7.238 4.957 1.00 0.00 O ATOM 0 H GLU A 36 8.747 -9.432 0.134 1.00 0.00 H new ATOM 0 HA GLU A 36 7.500 -9.683 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.314 -8.108 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.394 -7.303 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.417 -6.037 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.796 -6.453 2.617 1.00 0.00 H new ATOM 532 N LEU A 37 5.638 -8.781 0.203 1.00 0.00 N ATOM 533 CA LEU A 37 4.278 -8.448 -0.207 1.00 0.00 C ATOM 534 C LEU A 37 3.341 -9.633 0.001 1.00 0.00 C ATOM 535 O LEU A 37 2.165 -9.459 0.320 1.00 0.00 O ATOM 536 CB LEU A 37 4.258 -8.017 -1.674 1.00 0.00 C ATOM 537 CG LEU A 37 4.901 -6.665 -1.987 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.363 -6.616 -3.435 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.928 -5.532 -1.696 1.00 0.00 C ATOM 0 H LEU A 37 6.252 -9.062 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 37 3.930 -7.621 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.764 -8.782 -2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.221 -7.990 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 37 5.773 -6.541 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.818 -5.647 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.095 -7.404 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.508 -6.762 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.402 -4.577 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.037 -5.651 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.647 -5.555 -0.643 1.00 0.00 H new ATOM 551 N ASP A 38 3.871 -10.838 -0.181 1.00 0.00 N ATOM 552 CA ASP A 38 3.083 -12.053 -0.010 1.00 0.00 C ATOM 553 C ASP A 38 2.422 -12.084 1.364 1.00 0.00 C ATOM 554 O ASP A 38 1.313 -12.595 1.519 1.00 0.00 O ATOM 555 CB ASP A 38 3.966 -13.289 -0.193 1.00 0.00 C ATOM 556 CG ASP A 38 3.171 -14.579 -0.150 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.844 -15.037 0.964 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.878 -15.132 -1.231 1.00 0.00 O ATOM 0 H ASP A 38 4.842 -10.999 -0.447 1.00 0.00 H new ATOM 0 HA ASP A 38 2.301 -12.059 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.490 -13.220 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.726 -13.308 0.588 1.00 0.00 H new ATOM 563 N ARG A 39 3.111 -11.535 2.359 1.00 0.00 N ATOM 564 CA ARG A 39 2.592 -11.501 3.721 1.00 0.00 C ATOM 565 C ARG A 39 1.531 -10.415 3.872 1.00 0.00 C ATOM 566 O ARG A 39 0.380 -10.698 4.208 1.00 0.00 O ATOM 567 CB ARG A 39 3.728 -11.262 4.717 1.00 0.00 C ATOM 568 CG ARG A 39 4.512 -12.518 5.060 1.00 0.00 C ATOM 569 CD ARG A 39 3.851 -13.297 6.187 1.00 0.00 C ATOM 570 NE ARG A 39 2.821 -14.206 5.693 1.00 0.00 N ATOM 571 CZ ARG A 39 2.166 -15.065 6.467 1.00 0.00 C ATOM 572 NH1 ARG A 39 2.432 -15.129 7.765 1.00 0.00 N ATOM 573 NH2 ARG A 39 1.242 -15.860 5.944 1.00 0.00 N ATOM 0 H ARG A 39 4.030 -11.108 2.247 1.00 0.00 H new ATOM 0 HA ARG A 39 2.131 -12.466 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.411 -10.519 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.314 -10.841 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.592 -13.151 4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.527 -12.247 5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.608 -13.866 6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.408 -12.600 6.899 1.00 0.00 H new ATOM 0 HE ARG A 39 2.592 -14.180 4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.141 -14.518 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.928 -15.789 8.357 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.034 -15.812 4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.740 -16.519 6.539 1.00 0.00 H new ATOM 587 N LEU A 40 1.926 -9.171 3.623 1.00 0.00 N ATOM 588 CA LEU A 40 1.010 -8.041 3.732 1.00 0.00 C ATOM 589 C LEU A 40 -0.295 -8.326 2.995 1.00 0.00 C ATOM 590 O LEU A 40 -1.376 -7.974 3.469 1.00 0.00 O ATOM 591 CB LEU A 40 1.661 -6.776 3.169 1.00 0.00 C ATOM 592 CG LEU A 40 2.855 -6.230 3.953 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.587 -5.173 3.142 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.400 -5.660 5.289 1.00 0.00 C ATOM 0 H LEU A 40 2.874 -8.919 3.344 1.00 0.00 H new ATOM 0 HA LEU A 40 0.784 -7.887 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.985 -6.981 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.902 -5.996 3.111 1.00 0.00 H new ATOM 0 HG LEU A 40 3.545 -7.052 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.434 -4.796 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.946 -5.612 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.907 -4.352 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.263 -5.276 5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.690 -4.851 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.921 -6.444 5.875 1.00 0.00 H new ATOM 606 N ARG A 41 -0.187 -8.967 1.836 1.00 0.00 N ATOM 607 CA ARG A 41 -1.359 -9.300 1.035 1.00 0.00 C ATOM 608 C ARG A 41 -2.427 -9.976 1.890 1.00 0.00 C ATOM 609 O ARG A 41 -3.623 -9.801 1.659 1.00 0.00 O ATOM 610 CB ARG A 41 -0.966 -10.214 -0.127 1.00 0.00 C ATOM 611 CG ARG A 41 -0.455 -9.463 -1.346 1.00 0.00 C ATOM 612 CD ARG A 41 -0.741 -10.226 -2.630 1.00 0.00 C ATOM 613 NE ARG A 41 -0.740 -11.672 -2.419 1.00 0.00 N ATOM 614 CZ ARG A 41 -1.391 -12.528 -3.199 1.00 0.00 C ATOM 615 NH1 ARG A 41 -2.092 -12.087 -4.234 1.00 0.00 N ATOM 616 NH2 ARG A 41 -1.342 -13.829 -2.942 1.00 0.00 N ATOM 0 H ARG A 41 0.700 -9.266 1.431 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.771 -8.373 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.196 -10.907 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.830 -10.813 -0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.925 -8.481 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.618 -9.299 -1.250 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.708 -9.918 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.008 -9.968 -3.379 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.211 -12.044 -1.630 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.133 -11.088 -4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.591 -12.747 -4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.805 -14.172 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.842 -14.486 -3.541 1.00 0.00 H new ATOM 630 N SER A 42 -1.986 -10.750 2.877 1.00 0.00 N ATOM 631 CA SER A 42 -2.904 -11.456 3.763 1.00 0.00 C ATOM 632 C SER A 42 -3.720 -10.472 4.595 1.00 0.00 C ATOM 633 O SER A 42 -4.871 -10.740 4.938 1.00 0.00 O ATOM 634 CB SER A 42 -2.131 -12.402 4.683 1.00 0.00 C ATOM 635 OG SER A 42 -3.007 -13.092 5.558 1.00 0.00 O ATOM 0 H SER A 42 -0.999 -10.904 3.083 1.00 0.00 H new ATOM 0 HA SER A 42 -3.589 -12.039 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.571 -13.120 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.404 -11.835 5.264 1.00 0.00 H new ATOM 0 HG SER A 42 -2.488 -13.691 6.134 1.00 0.00 H new ATOM 641 N GLU A 43 -3.114 -9.333 4.916 1.00 0.00 N ATOM 642 CA GLU A 43 -3.785 -8.310 5.710 1.00 0.00 C ATOM 643 C GLU A 43 -4.530 -7.326 4.811 1.00 0.00 C ATOM 644 O GLU A 43 -5.737 -7.128 4.954 1.00 0.00 O ATOM 645 CB GLU A 43 -2.771 -7.559 6.576 1.00 0.00 C ATOM 646 CG GLU A 43 -1.963 -8.464 7.490 1.00 0.00 C ATOM 647 CD GLU A 43 -1.436 -7.739 8.713 1.00 0.00 C ATOM 648 OE1 GLU A 43 -2.097 -6.779 9.163 1.00 0.00 O ATOM 649 OE2 GLU A 43 -0.364 -8.129 9.219 1.00 0.00 O ATOM 0 H GLU A 43 -2.161 -9.096 4.639 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.509 -8.805 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.089 -7.009 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.298 -6.822 7.182 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.585 -9.301 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.126 -8.883 6.932 1.00 0.00 H new ATOM 656 N THR A 44 -3.801 -6.711 3.885 1.00 0.00 N ATOM 657 CA THR A 44 -4.390 -5.747 2.965 1.00 0.00 C ATOM 658 C THR A 44 -5.387 -6.419 2.028 1.00 0.00 C ATOM 659 O THR A 44 -6.352 -5.798 1.582 1.00 0.00 O ATOM 660 CB THR A 44 -3.310 -5.040 2.124 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.620 -5.995 1.310 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.315 -4.316 3.019 1.00 0.00 C ATOM 0 H THR A 44 -2.801 -6.864 3.753 1.00 0.00 H new ATOM 0 HA THR A 44 -4.909 -5.007 3.574 1.00 0.00 H new ATOM 0 HB THR A 44 -3.801 -4.306 1.485 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.164 -6.645 1.884 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.562 -3.824 2.403 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.839 -3.570 3.616 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.830 -5.035 3.680 1.00 0.00 H new ATOM 670 N LYS A 45 -5.149 -7.693 1.734 1.00 0.00 N ATOM 671 CA LYS A 45 -6.027 -8.452 0.852 1.00 0.00 C ATOM 672 C LYS A 45 -6.108 -7.803 -0.526 1.00 0.00 C ATOM 673 O LYS A 45 -7.171 -7.770 -1.146 1.00 0.00 O ATOM 674 CB LYS A 45 -7.428 -8.558 1.460 1.00 0.00 C ATOM 675 CG LYS A 45 -7.424 -8.910 2.938 1.00 0.00 C ATOM 676 CD LYS A 45 -7.394 -10.414 3.153 1.00 0.00 C ATOM 677 CE LYS A 45 -8.745 -11.046 2.854 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.607 -12.454 2.388 1.00 0.00 N ATOM 0 H LYS A 45 -4.355 -8.222 2.094 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.609 -9.453 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.948 -7.610 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.995 -9.314 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.558 -8.455 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.310 -8.491 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.633 -10.859 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.110 -10.630 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.365 -11.019 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.260 -10.460 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.549 -12.850 2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.037 -12.478 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.139 -13.019 3.125 1.00 0.00 H new ATOM 692 N MET A 46 -4.978 -7.288 -1.000 1.00 0.00 N ATOM 693 CA MET A 46 -4.921 -6.642 -2.306 1.00 0.00 C ATOM 694 C MET A 46 -3.894 -7.323 -3.205 1.00 0.00 C ATOM 695 O MET A 46 -3.227 -8.274 -2.795 1.00 0.00 O ATOM 696 CB MET A 46 -4.578 -5.159 -2.151 1.00 0.00 C ATOM 697 CG MET A 46 -5.549 -4.401 -1.260 1.00 0.00 C ATOM 698 SD MET A 46 -5.471 -2.617 -1.509 1.00 0.00 S ATOM 699 CE MET A 46 -3.746 -2.300 -1.149 1.00 0.00 C ATOM 0 H MET A 46 -4.090 -7.306 -0.499 1.00 0.00 H new ATOM 0 HA MET A 46 -5.902 -6.733 -2.772 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.573 -5.068 -1.739 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.562 -4.693 -3.136 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.563 -4.748 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.332 -4.628 -0.216 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.636 -1.289 -0.757 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.391 -3.017 -0.408 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.159 -2.401 -2.062 1.00 0.00 H new ATOM 709 N THR A 47 -3.770 -6.830 -4.433 1.00 0.00 N ATOM 710 CA THR A 47 -2.825 -7.391 -5.390 1.00 0.00 C ATOM 711 C THR A 47 -1.533 -6.583 -5.425 1.00 0.00 C ATOM 712 O THR A 47 -1.501 -5.426 -5.007 1.00 0.00 O ATOM 713 CB THR A 47 -3.424 -7.441 -6.809 1.00 0.00 C ATOM 714 OG1 THR A 47 -4.292 -6.320 -7.013 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.197 -8.733 -7.025 1.00 0.00 C ATOM 0 H THR A 47 -4.313 -6.043 -4.788 1.00 0.00 H new ATOM 0 HA THR A 47 -2.607 -8.407 -5.060 1.00 0.00 H new ATOM 0 HB THR A 47 -2.605 -7.402 -7.527 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.668 -6.357 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.610 -8.745 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.527 -9.583 -6.897 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.008 -8.797 -6.300 1.00 0.00 H new ATOM 723 N ARG A 48 -0.468 -7.201 -5.927 1.00 0.00 N ATOM 724 CA ARG A 48 0.828 -6.538 -6.016 1.00 0.00 C ATOM 725 C ARG A 48 0.698 -5.179 -6.697 1.00 0.00 C ATOM 726 O ARG A 48 1.366 -4.217 -6.317 1.00 0.00 O ATOM 727 CB ARG A 48 1.820 -7.413 -6.784 1.00 0.00 C ATOM 728 CG ARG A 48 2.606 -8.366 -5.897 1.00 0.00 C ATOM 729 CD ARG A 48 1.776 -9.580 -5.511 1.00 0.00 C ATOM 730 NE ARG A 48 1.906 -10.663 -6.483 1.00 0.00 N ATOM 731 CZ ARG A 48 1.031 -11.655 -6.599 1.00 0.00 C ATOM 732 NH1 ARG A 48 -0.033 -11.701 -5.809 1.00 0.00 N ATOM 733 NH2 ARG A 48 1.218 -12.604 -7.507 1.00 0.00 N ATOM 0 H ARG A 48 -0.477 -8.159 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 48 1.199 -6.383 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.278 -7.991 -7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.518 -6.771 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.507 -8.690 -6.418 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.929 -7.844 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.088 -9.935 -4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.728 -9.291 -5.428 1.00 0.00 H new ATOM 0 HE ARG A 48 2.713 -10.657 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.181 -10.973 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.703 -12.464 -5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.035 -12.572 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.545 -13.365 -7.595 1.00 0.00 H new ATOM 747 N ARG A 49 -0.164 -5.108 -7.705 1.00 0.00 N ATOM 748 CA ARG A 49 -0.380 -3.868 -8.441 1.00 0.00 C ATOM 749 C ARG A 49 -1.085 -2.834 -7.568 1.00 0.00 C ATOM 750 O ARG A 49 -0.793 -1.641 -7.645 1.00 0.00 O ATOM 751 CB ARG A 49 -1.205 -4.135 -9.701 1.00 0.00 C ATOM 752 CG ARG A 49 -2.576 -4.727 -9.418 1.00 0.00 C ATOM 753 CD ARG A 49 -3.214 -5.283 -10.682 1.00 0.00 C ATOM 754 NE ARG A 49 -3.745 -4.225 -11.538 1.00 0.00 N ATOM 755 CZ ARG A 49 -4.062 -4.403 -12.815 1.00 0.00 C ATOM 756 NH1 ARG A 49 -3.904 -5.592 -13.381 1.00 0.00 N ATOM 757 NH2 ARG A 49 -4.539 -3.392 -13.529 1.00 0.00 N ATOM 0 H ARG A 49 -0.725 -5.895 -8.031 1.00 0.00 H new ATOM 0 HA ARG A 49 0.593 -3.472 -8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.328 -3.201 -10.249 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.652 -4.814 -10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.485 -5.520 -8.676 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.223 -3.962 -8.989 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.475 -5.862 -11.237 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.018 -5.968 -10.411 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.880 -3.299 -11.132 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.538 -6.372 -12.835 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.148 -5.726 -14.362 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.663 -2.476 -13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.782 -3.530 -14.510 1.00 0.00 H new ATOM 771 N GLU A 50 -2.014 -3.301 -6.740 1.00 0.00 N ATOM 772 CA GLU A 50 -2.761 -2.416 -5.854 1.00 0.00 C ATOM 773 C GLU A 50 -1.907 -1.991 -4.663 1.00 0.00 C ATOM 774 O GLU A 50 -2.081 -0.900 -4.119 1.00 0.00 O ATOM 775 CB GLU A 50 -4.035 -3.106 -5.362 1.00 0.00 C ATOM 776 CG GLU A 50 -5.127 -3.191 -6.415 1.00 0.00 C ATOM 777 CD GLU A 50 -5.942 -1.916 -6.513 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.984 -1.159 -5.521 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.537 -1.674 -7.584 1.00 0.00 O ATOM 0 H GLU A 50 -2.267 -4.286 -6.664 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.035 -1.525 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.786 -4.113 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.419 -2.567 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.676 -3.405 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.789 -4.024 -6.180 1.00 0.00 H new ATOM 786 N ILE A 51 -0.985 -2.860 -4.263 1.00 0.00 N ATOM 787 CA ILE A 51 -0.104 -2.576 -3.137 1.00 0.00 C ATOM 788 C ILE A 51 1.059 -1.685 -3.561 1.00 0.00 C ATOM 789 O ILE A 51 1.416 -0.737 -2.861 1.00 0.00 O ATOM 790 CB ILE A 51 0.454 -3.870 -2.518 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.649 -4.622 -1.771 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.613 -3.554 -1.584 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.206 -5.961 -1.225 1.00 0.00 C ATOM 0 H ILE A 51 -0.829 -3.767 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.704 -2.056 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 51 0.823 -4.508 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.006 -4.003 -0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.493 -4.775 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.997 -4.479 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.406 -3.058 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.268 -2.898 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.039 -6.437 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.123 -6.598 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.618 -5.815 -0.527 1.00 0.00 H new ATOM 805 N ASP A 52 1.645 -1.995 -4.712 1.00 0.00 N ATOM 806 CA ASP A 52 2.767 -1.221 -5.232 1.00 0.00 C ATOM 807 C ASP A 52 2.366 0.233 -5.456 1.00 0.00 C ATOM 808 O ASP A 52 3.145 1.150 -5.196 1.00 0.00 O ATOM 809 CB ASP A 52 3.272 -1.831 -6.540 1.00 0.00 C ATOM 810 CG ASP A 52 4.723 -1.490 -6.815 1.00 0.00 C ATOM 811 OD1 ASP A 52 5.022 -0.297 -7.031 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.561 -2.417 -6.815 1.00 0.00 O ATOM 0 H ASP A 52 1.362 -2.777 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 52 3.569 -1.248 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.158 -2.914 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.655 -1.475 -7.365 1.00 0.00 H new ATOM 817 N SER A 53 1.145 0.438 -5.941 1.00 0.00 N ATOM 818 CA SER A 53 0.642 1.781 -6.205 1.00 0.00 C ATOM 819 C SER A 53 0.615 2.612 -4.926 1.00 0.00 C ATOM 820 O SER A 53 1.017 3.775 -4.920 1.00 0.00 O ATOM 821 CB SER A 53 -0.761 1.713 -6.812 1.00 0.00 C ATOM 822 OG SER A 53 -1.220 3.002 -7.180 1.00 0.00 O ATOM 0 H SER A 53 0.486 -0.309 -6.159 1.00 0.00 H new ATOM 0 HA SER A 53 1.315 2.261 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.751 1.063 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.450 1.269 -6.094 1.00 0.00 H new ATOM 0 HG SER A 53 -2.118 2.932 -7.567 1.00 0.00 H new ATOM 828 N TRP A 54 0.138 2.006 -3.844 1.00 0.00 N ATOM 829 CA TRP A 54 0.059 2.689 -2.558 1.00 0.00 C ATOM 830 C TRP A 54 1.417 3.255 -2.157 1.00 0.00 C ATOM 831 O TRP A 54 1.572 4.465 -1.994 1.00 0.00 O ATOM 832 CB TRP A 54 -0.448 1.731 -1.479 1.00 0.00 C ATOM 833 CG TRP A 54 -0.585 2.373 -0.132 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.703 2.964 0.385 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.432 2.491 0.869 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.442 3.441 1.647 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.140 3.163 1.967 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.769 2.093 0.946 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.581 3.445 3.125 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.483 2.373 2.095 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.888 3.044 3.172 1.00 0.00 C ATOM 0 H TRP A 54 -0.200 1.044 -3.832 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.643 3.517 -2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.415 1.332 -1.783 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.236 0.886 -1.403 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.652 3.044 -0.123 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.110 3.924 2.248 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.236 1.575 0.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.124 3.962 3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.517 2.070 2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.473 3.249 4.057 1.00 0.00 H new ATOM 852 N PHE A 55 2.397 2.372 -2.000 1.00 0.00 N ATOM 853 CA PHE A 55 3.743 2.784 -1.617 1.00 0.00 C ATOM 854 C PHE A 55 4.244 3.908 -2.518 1.00 0.00 C ATOM 855 O PHE A 55 4.517 5.015 -2.054 1.00 0.00 O ATOM 856 CB PHE A 55 4.702 1.594 -1.685 1.00 0.00 C ATOM 857 CG PHE A 55 4.598 0.671 -0.504 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.165 1.015 0.712 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.933 -0.540 -0.611 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.071 0.168 1.801 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.835 -1.390 0.474 1.00 0.00 C ATOM 862 CZ PHE A 55 4.406 -1.036 1.681 1.00 0.00 C ATOM 0 H PHE A 55 2.285 1.367 -2.132 1.00 0.00 H new ATOM 0 HA PHE A 55 3.706 3.153 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.503 1.029 -2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.724 1.965 -1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.687 1.956 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.486 -0.823 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.517 0.448 2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.312 -2.330 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.332 -1.700 2.530 1.00 0.00 H new ATOM 872 N SER A 56 4.364 3.615 -3.809 1.00 0.00 N ATOM 873 CA SER A 56 4.837 4.599 -4.775 1.00 0.00 C ATOM 874 C SER A 56 4.094 5.922 -4.613 1.00 0.00 C ATOM 875 O SER A 56 4.574 6.972 -5.037 1.00 0.00 O ATOM 876 CB SER A 56 4.659 4.073 -6.200 1.00 0.00 C ATOM 877 OG SER A 56 4.931 5.083 -7.156 1.00 0.00 O ATOM 0 H SER A 56 4.140 2.704 -4.210 1.00 0.00 H new ATOM 0 HA SER A 56 5.897 4.773 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.324 3.225 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.640 3.709 -6.332 1.00 0.00 H new ATOM 0 HG SER A 56 4.811 4.720 -8.058 1.00 0.00 H new ATOM 883 N GLU A 57 2.919 5.860 -3.994 1.00 0.00 N ATOM 884 CA GLU A 57 2.108 7.052 -3.776 1.00 0.00 C ATOM 885 C GLU A 57 2.325 7.609 -2.372 1.00 0.00 C ATOM 886 O GLU A 57 2.147 8.803 -2.131 1.00 0.00 O ATOM 887 CB GLU A 57 0.626 6.734 -3.987 1.00 0.00 C ATOM 888 CG GLU A 57 0.189 6.806 -5.440 1.00 0.00 C ATOM 889 CD GLU A 57 0.069 8.231 -5.944 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.122 9.141 -5.111 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.167 8.436 -7.172 1.00 0.00 O ATOM 0 H GLU A 57 2.508 4.998 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 57 2.417 7.807 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.419 5.735 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.027 7.431 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.906 6.265 -6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.772 6.303 -5.552 1.00 0.00 H new ATOM 898 N ARG A 58 2.711 6.734 -1.448 1.00 0.00 N ATOM 899 CA ARG A 58 2.950 7.136 -0.068 1.00 0.00 C ATOM 900 C ARG A 58 4.371 7.666 0.105 1.00 0.00 C ATOM 901 O ARG A 58 4.572 8.825 0.469 1.00 0.00 O ATOM 902 CB ARG A 58 2.716 5.957 0.878 1.00 0.00 C ATOM 903 CG ARG A 58 2.801 6.329 2.349 1.00 0.00 C ATOM 904 CD ARG A 58 1.492 6.920 2.850 1.00 0.00 C ATOM 905 NE ARG A 58 1.516 7.159 4.291 1.00 0.00 N ATOM 906 CZ ARG A 58 0.712 8.018 4.906 1.00 0.00 C ATOM 907 NH1 ARG A 58 -0.176 8.716 4.211 1.00 0.00 N ATOM 908 NH2 ARG A 58 0.794 8.181 6.221 1.00 0.00 N ATOM 0 H ARG A 58 2.865 5.742 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 58 2.249 7.934 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.734 5.530 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.451 5.180 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.050 5.445 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.607 7.048 2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.295 7.858 2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.673 6.243 2.608 1.00 0.00 H new ATOM 0 HE ARG A 58 2.187 6.638 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.243 8.594 3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.792 9.375 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.475 7.646 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.176 8.841 6.693 1.00 0.00 H new ATOM 922 N ARG A 59 5.353 6.809 -0.157 1.00 0.00 N ATOM 923 CA ARG A 59 6.754 7.190 -0.029 1.00 0.00 C ATOM 924 C ARG A 59 7.035 8.488 -0.780 1.00 0.00 C ATOM 925 O ARG A 59 7.835 9.314 -0.338 1.00 0.00 O ATOM 926 CB ARG A 59 7.658 6.076 -0.559 1.00 0.00 C ATOM 927 CG ARG A 59 7.627 5.933 -2.072 1.00 0.00 C ATOM 928 CD ARG A 59 8.202 4.598 -2.518 1.00 0.00 C ATOM 929 NE ARG A 59 8.791 4.674 -3.852 1.00 0.00 N ATOM 930 CZ ARG A 59 10.018 5.126 -4.089 1.00 0.00 C ATOM 931 NH1 ARG A 59 10.781 5.538 -3.086 1.00 0.00 N ATOM 932 NH2 ARG A 59 10.484 5.164 -5.330 1.00 0.00 N ATOM 0 H ARG A 59 5.204 5.846 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 59 6.966 7.349 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.683 6.270 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.358 5.131 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.600 6.024 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.195 6.745 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.960 4.273 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.415 3.844 -2.512 1.00 0.00 H new ATOM 0 HE ARG A 59 8.230 4.363 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.427 5.508 -2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.722 5.885 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.900 4.846 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.426 5.511 -5.511 1.00 0.00 H new ATOM 946 N LYS A 60 6.373 8.662 -1.919 1.00 0.00 N ATOM 947 CA LYS A 60 6.551 9.860 -2.732 1.00 0.00 C ATOM 948 C LYS A 60 5.884 11.065 -2.078 1.00 0.00 C ATOM 949 O LYS A 60 6.319 12.203 -2.260 1.00 0.00 O ATOM 950 CB LYS A 60 5.971 9.641 -4.132 1.00 0.00 C ATOM 951 CG LYS A 60 4.458 9.759 -4.189 1.00 0.00 C ATOM 952 CD LYS A 60 3.951 9.738 -5.621 1.00 0.00 C ATOM 953 CE LYS A 60 3.971 11.127 -6.240 1.00 0.00 C ATOM 954 NZ LYS A 60 2.946 12.020 -5.633 1.00 0.00 N ATOM 0 H LYS A 60 5.708 7.989 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 60 7.620 10.058 -2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.410 10.368 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.264 8.653 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.007 8.939 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.146 10.684 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.567 9.064 -6.216 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.935 9.344 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.959 11.568 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.795 11.049 -7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.740 12.804 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.076 11.479 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.306 12.401 -4.735 1.00 0.00 H new ATOM 968 N LYS A 61 4.827 10.810 -1.314 1.00 0.00 N ATOM 969 CA LYS A 61 4.102 11.873 -0.630 1.00 0.00 C ATOM 970 C LYS A 61 4.957 12.493 0.471 1.00 0.00 C ATOM 971 O LYS A 61 4.947 13.709 0.668 1.00 0.00 O ATOM 972 CB LYS A 61 2.801 11.330 -0.035 1.00 0.00 C ATOM 973 CG LYS A 61 1.618 11.412 -0.984 1.00 0.00 C ATOM 974 CD LYS A 61 0.442 10.592 -0.481 1.00 0.00 C ATOM 975 CE LYS A 61 -0.549 10.295 -1.596 1.00 0.00 C ATOM 976 NZ LYS A 61 -1.255 11.524 -2.053 1.00 0.00 N ATOM 0 H LYS A 61 4.453 9.875 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 61 3.865 12.646 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.951 10.291 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.567 11.885 0.873 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.314 12.452 -1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.916 11.056 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.805 9.656 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.062 11.131 0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.024 9.844 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.280 9.565 -1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.921 11.279 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.777 11.941 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.560 12.211 -2.409 1.00 0.00 H new ATOM 990 N VAL A 62 5.696 11.651 1.186 1.00 0.00 N ATOM 991 CA VAL A 62 6.559 12.117 2.265 1.00 0.00 C ATOM 992 C VAL A 62 7.678 13.003 1.730 1.00 0.00 C ATOM 993 O VAL A 62 8.170 13.887 2.429 1.00 0.00 O ATOM 994 CB VAL A 62 7.178 10.937 3.038 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.989 11.441 4.222 1.00 0.00 C ATOM 996 CG2 VAL A 62 6.094 9.973 3.495 1.00 0.00 C ATOM 0 H VAL A 62 5.714 10.642 1.037 1.00 0.00 H new ATOM 0 HA VAL A 62 5.933 12.697 2.943 1.00 0.00 H new ATOM 0 HB VAL A 62 7.851 10.400 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.419 10.593 4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.790 12.089 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.341 12.003 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.549 9.145 4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.394 10.495 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.561 9.586 2.626 1.00 0.00 H new ATOM 1006 N ASN A 63 8.074 12.760 0.485 1.00 0.00 N ATOM 1007 CA ASN A 63 9.136 13.536 -0.144 1.00 0.00 C ATOM 1008 C ASN A 63 8.644 14.932 -0.514 1.00 0.00 C ATOM 1009 O ASN A 63 9.374 15.914 -0.384 1.00 0.00 O ATOM 1010 CB ASN A 63 9.651 12.817 -1.393 1.00 0.00 C ATOM 1011 CG ASN A 63 10.920 13.442 -1.938 1.00 0.00 C ATOM 1012 OD1 ASN A 63 11.647 14.126 -1.218 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.193 13.208 -3.217 1.00 0.00 N ATOM 0 H ASN A 63 7.676 12.032 -0.108 1.00 0.00 H new ATOM 0 HA ASN A 63 9.952 13.635 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.838 11.770 -1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.880 12.836 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.034 13.602 -3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.562 12.635 -3.777 1.00 0.00 H new ATOM 1020 N ALA A 64 7.400 15.012 -0.974 1.00 0.00 N ATOM 1021 CA ALA A 64 6.808 16.287 -1.360 1.00 0.00 C ATOM 1022 C ALA A 64 5.908 16.831 -0.256 1.00 0.00 C ATOM 1023 O ALA A 64 4.845 17.387 -0.527 1.00 0.00 O ATOM 1024 CB ALA A 64 6.024 16.134 -2.655 1.00 0.00 C ATOM 0 H ALA A 64 6.782 14.208 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 64 7.616 17.001 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.587 17.094 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.693 15.798 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.230 15.401 -2.515 1.00 0.00 H new ATOM 1030 N GLU A 65 6.343 16.667 0.990 1.00 0.00 N ATOM 1031 CA GLU A 65 5.574 17.141 2.135 1.00 0.00 C ATOM 1032 C GLU A 65 5.668 18.659 2.262 1.00 0.00 C ATOM 1033 O GLU A 65 6.536 19.289 1.658 1.00 0.00 O ATOM 1034 CB GLU A 65 6.072 16.479 3.421 1.00 0.00 C ATOM 1035 CG GLU A 65 4.996 16.326 4.483 1.00 0.00 C ATOM 1036 CD GLU A 65 5.518 15.687 5.755 1.00 0.00 C ATOM 1037 OE1 GLU A 65 6.257 16.366 6.499 1.00 0.00 O ATOM 1038 OE2 GLU A 65 5.189 14.509 6.006 1.00 0.00 O ATOM 0 H GLU A 65 7.222 16.210 1.232 1.00 0.00 H new ATOM 0 HA GLU A 65 4.530 16.871 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.476 15.495 3.181 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.892 17.069 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.580 17.306 4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.181 15.721 4.085 1.00 0.00 H new ATOM 1045 N GLU A 66 4.769 19.237 3.052 1.00 0.00 N ATOM 1046 CA GLU A 66 4.750 20.681 3.257 1.00 0.00 C ATOM 1047 C GLU A 66 4.360 21.408 1.973 1.00 0.00 C ATOM 1048 O GLU A 66 4.946 22.433 1.623 1.00 0.00 O ATOM 1049 CB GLU A 66 6.118 21.169 3.736 1.00 0.00 C ATOM 1050 CG GLU A 66 6.091 22.563 4.340 1.00 0.00 C ATOM 1051 CD GLU A 66 7.479 23.106 4.616 1.00 0.00 C ATOM 1052 OE1 GLU A 66 8.117 22.639 5.583 1.00 0.00 O ATOM 1053 OE2 GLU A 66 7.928 23.998 3.866 1.00 0.00 O ATOM 0 H GLU A 66 4.045 18.729 3.560 1.00 0.00 H new ATOM 0 HA GLU A 66 4.005 20.903 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.505 20.469 4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.812 21.160 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.569 23.238 3.662 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.522 22.541 5.269 1.00 0.00 H new ATOM 1060 N THR A 67 3.366 20.870 1.273 1.00 0.00 N ATOM 1061 CA THR A 67 2.898 21.464 0.028 1.00 0.00 C ATOM 1062 C THR A 67 1.889 22.575 0.294 1.00 0.00 C ATOM 1063 O THR A 67 0.835 22.343 0.886 1.00 0.00 O ATOM 1064 CB THR A 67 2.253 20.410 -0.891 1.00 0.00 C ATOM 1065 OG1 THR A 67 1.595 21.052 -1.988 1.00 0.00 O ATOM 1066 CG2 THR A 67 1.254 19.560 -0.121 1.00 0.00 C ATOM 0 H THR A 67 2.869 20.023 1.548 1.00 0.00 H new ATOM 0 HA THR A 67 3.773 21.882 -0.470 1.00 0.00 H new ATOM 0 HB THR A 67 3.042 19.761 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.189 20.374 -2.568 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.811 18.823 -0.791 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.764 19.049 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.470 20.199 0.285 1.00 0.00 H new ATOM 1074 N LYS A 68 2.217 23.785 -0.149 1.00 0.00 N ATOM 1075 CA LYS A 68 1.339 24.933 0.040 1.00 0.00 C ATOM 1076 C LYS A 68 0.296 25.008 -1.071 1.00 0.00 C ATOM 1077 O LYS A 68 0.617 25.325 -2.217 1.00 0.00 O ATOM 1078 CB LYS A 68 2.156 26.226 0.075 1.00 0.00 C ATOM 1079 CG LYS A 68 3.035 26.357 1.307 1.00 0.00 C ATOM 1080 CD LYS A 68 4.161 27.353 1.086 1.00 0.00 C ATOM 1081 CE LYS A 68 3.703 28.779 1.353 1.00 0.00 C ATOM 1082 NZ LYS A 68 4.821 29.640 1.829 1.00 0.00 N ATOM 0 H LYS A 68 3.085 23.995 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 68 0.823 24.811 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.783 26.274 -0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.476 27.077 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.429 26.674 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.454 25.383 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.998 27.110 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.524 27.272 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.282 29.202 0.441 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.908 28.772 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.469 30.604 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.207 29.251 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.569 29.668 1.107 1.00 0.00 H new ATOM 1096 N LYS A 69 -0.953 24.717 -0.725 1.00 0.00 N ATOM 1097 CA LYS A 69 -2.044 24.755 -1.691 1.00 0.00 C ATOM 1098 C LYS A 69 -3.348 25.181 -1.024 1.00 0.00 C ATOM 1099 O LYS A 69 -3.404 25.357 0.193 1.00 0.00 O ATOM 1100 CB LYS A 69 -2.219 23.383 -2.347 1.00 0.00 C ATOM 1101 CG LYS A 69 -2.527 22.271 -1.358 1.00 0.00 C ATOM 1102 CD LYS A 69 -2.103 20.915 -1.895 1.00 0.00 C ATOM 1103 CE LYS A 69 -2.806 19.781 -1.164 1.00 0.00 C ATOM 1104 NZ LYS A 69 -4.220 19.629 -1.606 1.00 0.00 N ATOM 0 H LYS A 69 -1.235 24.452 0.219 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.792 25.489 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.024 23.440 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.309 23.131 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.014 22.467 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.595 22.260 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.328 20.858 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.024 20.803 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.269 18.849 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.779 19.969 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.613 18.749 -1.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.779 20.438 -1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.257 19.594 -2.645 1.00 0.00 H new ATOM 1118 N SER A 70 -4.393 25.345 -1.829 1.00 0.00 N ATOM 1119 CA SER A 70 -5.696 25.753 -1.316 1.00 0.00 C ATOM 1120 C SER A 70 -6.614 24.547 -1.144 1.00 0.00 C ATOM 1121 O SER A 70 -7.139 24.008 -2.118 1.00 0.00 O ATOM 1122 CB SER A 70 -6.342 26.771 -2.258 1.00 0.00 C ATOM 1123 OG SER A 70 -7.304 27.557 -1.577 1.00 0.00 O ATOM 0 H SER A 70 -4.363 25.202 -2.838 1.00 0.00 H new ATOM 0 HA SER A 70 -5.547 26.215 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.574 27.418 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.816 26.251 -3.091 1.00 0.00 H new ATOM 0 HG SER A 70 -7.701 28.201 -2.200 1.00 0.00 H new ATOM 1129 N GLY A 71 -6.804 24.128 0.104 1.00 0.00 N ATOM 1130 CA GLY A 71 -7.659 22.989 0.382 1.00 0.00 C ATOM 1131 C GLY A 71 -7.142 22.142 1.528 1.00 0.00 C ATOM 1132 O GLY A 71 -5.936 22.002 1.729 1.00 0.00 O ATOM 0 H GLY A 71 -6.381 24.557 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.663 23.341 0.619 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.740 22.373 -0.513 1.00 0.00 H new ATOM 1136 N PRO A 72 -8.069 21.562 2.304 1.00 0.00 N ATOM 1137 CA PRO A 72 -7.723 20.715 3.451 1.00 0.00 C ATOM 1138 C PRO A 72 -7.106 19.387 3.026 1.00 0.00 C ATOM 1139 O PRO A 72 -6.963 19.112 1.834 1.00 0.00 O ATOM 1140 CB PRO A 72 -9.071 20.483 4.138 1.00 0.00 C ATOM 1141 CG PRO A 72 -10.082 20.647 3.057 1.00 0.00 C ATOM 1142 CD PRO A 72 -9.525 21.686 2.123 1.00 0.00 C ATOM 0 HA PRO A 72 -6.976 21.182 4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.123 19.488 4.581 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.233 21.199 4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.252 19.705 2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.042 20.964 3.465 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.819 21.497 1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.878 22.685 2.377 1.00 0.00 H new ATOM 1150 N SER A 73 -6.743 18.568 4.007 1.00 0.00 N ATOM 1151 CA SER A 73 -6.137 17.270 3.734 1.00 0.00 C ATOM 1152 C SER A 73 -5.978 16.464 5.019 1.00 0.00 C ATOM 1153 O SER A 73 -5.511 16.979 6.035 1.00 0.00 O ATOM 1154 CB SER A 73 -4.776 17.450 3.060 1.00 0.00 C ATOM 1155 OG SER A 73 -4.910 17.523 1.651 1.00 0.00 O ATOM 0 H SER A 73 -6.858 18.780 4.998 1.00 0.00 H new ATOM 0 HA SER A 73 -6.798 16.723 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.300 18.358 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.123 16.618 3.324 1.00 0.00 H new ATOM 0 HG SER A 73 -5.498 18.272 1.417 1.00 0.00 H new ATOM 1161 N SER A 74 -6.371 15.195 4.967 1.00 0.00 N ATOM 1162 CA SER A 74 -6.276 14.317 6.128 1.00 0.00 C ATOM 1163 C SER A 74 -4.942 14.505 6.844 1.00 0.00 C ATOM 1164 O SER A 74 -3.898 14.645 6.209 1.00 0.00 O ATOM 1165 CB SER A 74 -6.438 12.856 5.703 1.00 0.00 C ATOM 1166 OG SER A 74 -7.804 12.481 5.675 1.00 0.00 O ATOM 0 H SER A 74 -6.758 14.752 4.134 1.00 0.00 H new ATOM 0 HA SER A 74 -7.079 14.579 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.997 12.710 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.895 12.211 6.393 1.00 0.00 H new ATOM 0 HG SER A 74 -7.880 11.544 5.399 1.00 0.00 H new ATOM 1172 N GLY A 75 -4.986 14.508 8.173 1.00 0.00 N ATOM 1173 CA GLY A 75 -3.776 14.680 8.955 1.00 0.00 C ATOM 1174 C GLY A 75 -4.039 14.636 10.447 1.00 0.00 C ATOM 1175 O GLY A 75 -4.699 15.520 10.994 1.00 0.00 O ATOM 0 H GLY A 75 -5.838 14.394 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.063 13.899 8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.314 15.633 8.699 1.00 0.00 H new TER 1179 GLY A 75