USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 36 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0.04) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.792 X(o=-0.85,f=-1!) USER MOD Set 2.2: A 38 ASN : amide:sc= -0.0582 X(o=-0.85,f=-0.74) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 174:sc= -0.0295 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 159:sc= 1.06 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 64:sc= 1.21 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 146:sc= -1.89! USER MOD Single : A 52 SER OG : rot 29:sc= 1.25 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 CYS SG : rot 25:sc= 0.116 USER MOD Single : A 61 CYS SG : rot -150:sc= -0.46 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 174:sc= 1.08 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -155:sc= -0.17 (180deg=-0.891) USER MOD Single : A 76 ASN : amide:sc= -0.64 X(o=-0.64,f=-0.91) USER MOD Single : A 77 TYR OH : rot -27:sc= 1.23 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0607 K(o=-0.061,f=-0.89) USER MOD Single : A 92 SER OG : rot 9:sc= 1.63 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0364) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0792 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.068 -17.270 0.533 1.00 0.00 N ATOM 84 CA ASP A 10 6.436 -17.422 1.838 1.00 0.00 C ATOM 85 C ASP A 10 5.702 -16.146 2.239 1.00 0.00 C ATOM 86 O ASP A 10 6.284 -15.215 2.796 1.00 0.00 O ATOM 87 CB ASP A 10 7.482 -17.777 2.896 1.00 0.00 C ATOM 88 CG ASP A 10 8.577 -18.673 2.351 1.00 0.00 C ATOM 89 OD1 ASP A 10 9.532 -18.141 1.748 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.478 -19.905 2.526 1.00 0.00 O ATOM 0 HA ASP A 10 5.709 -18.231 1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.926 -16.861 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.993 -18.274 3.733 1.00 0.00 H new ATOM 95 N PRO A 11 4.394 -16.099 1.947 1.00 0.00 N ATOM 96 CA PRO A 11 3.552 -14.942 2.267 1.00 0.00 C ATOM 97 C PRO A 11 3.324 -14.789 3.767 1.00 0.00 C ATOM 98 O PRO A 11 3.292 -13.676 4.290 1.00 0.00 O ATOM 99 CB PRO A 11 2.234 -15.254 1.555 1.00 0.00 C ATOM 100 CG PRO A 11 2.204 -16.740 1.447 1.00 0.00 C ATOM 101 CD PRO A 11 3.635 -17.172 1.283 1.00 0.00 C ATOM 0 HA PRO A 11 4.010 -14.005 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.380 -14.881 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.194 -14.785 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.761 -17.187 2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.601 -17.057 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.818 -18.141 1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.908 -17.266 0.232 1.00 0.00 H new ATOM 109 N GLY A 12 3.165 -15.916 4.455 1.00 0.00 N ATOM 110 CA GLY A 12 2.942 -15.884 5.889 1.00 0.00 C ATOM 111 C GLY A 12 3.990 -15.071 6.621 1.00 0.00 C ATOM 112 O GLY A 12 3.719 -14.503 7.680 1.00 0.00 O ATOM 0 H GLY A 12 3.187 -16.850 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.956 -15.466 6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.941 -16.903 6.276 1.00 0.00 H new ATOM 116 N LEU A 13 5.192 -15.014 6.058 1.00 0.00 N ATOM 117 CA LEU A 13 6.287 -14.266 6.666 1.00 0.00 C ATOM 118 C LEU A 13 6.370 -12.857 6.087 1.00 0.00 C ATOM 119 O LEU A 13 7.435 -12.239 6.081 1.00 0.00 O ATOM 120 CB LEU A 13 7.613 -14.997 6.450 1.00 0.00 C ATOM 121 CG LEU A 13 7.626 -16.484 6.806 1.00 0.00 C ATOM 122 CD1 LEU A 13 9.014 -17.070 6.604 1.00 0.00 C ATOM 123 CD2 LEU A 13 7.160 -16.692 8.240 1.00 0.00 C ATOM 0 H LEU A 13 5.433 -15.477 5.182 1.00 0.00 H new ATOM 0 HA LEU A 13 6.092 -14.189 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.896 -14.892 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.381 -14.496 7.039 1.00 0.00 H new ATOM 0 HG LEU A 13 6.936 -17.003 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.003 -18.129 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.310 -16.954 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.726 -16.548 7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.175 -17.756 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.825 -16.159 8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.145 -16.310 8.352 1.00 0.00 H new ATOM 135 N VAL A 14 5.239 -12.354 5.603 1.00 0.00 N ATOM 136 CA VAL A 14 5.183 -11.016 5.025 1.00 0.00 C ATOM 137 C VAL A 14 4.111 -10.170 5.703 1.00 0.00 C ATOM 138 O VAL A 14 2.977 -10.613 5.883 1.00 0.00 O ATOM 139 CB VAL A 14 4.899 -11.070 3.513 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.693 -9.669 2.958 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.029 -11.781 2.784 1.00 0.00 C ATOM 0 H VAL A 14 4.349 -12.853 5.600 1.00 0.00 H new ATOM 0 HA VAL A 14 6.159 -10.559 5.187 1.00 0.00 H new ATOM 0 HB VAL A 14 3.982 -11.636 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.493 -9.727 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.847 -9.200 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.591 -9.075 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.812 -11.810 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.963 -11.244 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.123 -12.799 3.163 1.00 0.00 H new ATOM 151 N SER A 15 4.478 -8.948 6.076 1.00 0.00 N ATOM 152 CA SER A 15 3.549 -8.039 6.737 1.00 0.00 C ATOM 153 C SER A 15 3.795 -6.598 6.300 1.00 0.00 C ATOM 154 O SER A 15 4.815 -6.291 5.683 1.00 0.00 O ATOM 155 CB SER A 15 3.684 -8.154 8.256 1.00 0.00 C ATOM 156 OG SER A 15 2.462 -7.841 8.902 1.00 0.00 O ATOM 0 H SER A 15 5.412 -8.565 5.932 1.00 0.00 H new ATOM 0 HA SER A 15 2.536 -8.320 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.990 -9.166 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.467 -7.482 8.607 1.00 0.00 H new ATOM 0 HG SER A 15 2.574 -7.924 9.872 1.00 0.00 H new ATOM 162 N ALA A 16 2.854 -5.718 6.626 1.00 0.00 N ATOM 163 CA ALA A 16 2.969 -4.309 6.271 1.00 0.00 C ATOM 164 C ALA A 16 2.479 -3.415 7.405 1.00 0.00 C ATOM 165 O ALA A 16 1.438 -3.675 8.008 1.00 0.00 O ATOM 166 CB ALA A 16 2.190 -4.022 4.996 1.00 0.00 C ATOM 0 H ALA A 16 2.003 -5.956 7.136 1.00 0.00 H new ATOM 0 HA ALA A 16 4.022 -4.088 6.099 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.284 -2.966 4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.588 -4.628 4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.139 -4.266 5.149 1.00 0.00 H new ATOM 172 N TYR A 17 3.238 -2.363 7.691 1.00 0.00 N ATOM 173 CA TYR A 17 2.883 -1.432 8.756 1.00 0.00 C ATOM 174 C TYR A 17 3.117 0.011 8.319 1.00 0.00 C ATOM 175 O TYR A 17 4.003 0.291 7.512 1.00 0.00 O ATOM 176 CB TYR A 17 3.695 -1.733 10.017 1.00 0.00 C ATOM 177 CG TYR A 17 5.190 -1.651 9.808 1.00 0.00 C ATOM 178 CD1 TYR A 17 5.864 -0.443 9.938 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.929 -2.781 9.480 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.230 -0.363 9.747 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.295 -2.711 9.289 1.00 0.00 C ATOM 182 CZ TYR A 17 7.941 -1.500 9.424 1.00 0.00 C ATOM 183 OH TYR A 17 9.302 -1.425 9.233 1.00 0.00 O ATOM 0 H TYR A 17 4.102 -2.134 7.201 1.00 0.00 H new ATOM 0 HA TYR A 17 1.823 -1.558 8.976 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.407 -1.032 10.800 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.441 -2.731 10.373 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.311 0.449 10.193 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.426 -3.731 9.373 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.738 0.584 9.850 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.854 -3.599 9.035 1.00 0.00 H new ATOM 0 HH TYR A 17 9.665 -2.326 9.105 1.00 0.00 H new ATOM 193 N GLY A 18 2.315 0.924 8.859 1.00 0.00 N ATOM 194 CA GLY A 18 2.450 2.327 8.514 1.00 0.00 C ATOM 195 C GLY A 18 1.146 3.086 8.650 1.00 0.00 C ATOM 196 O GLY A 18 0.064 2.500 8.697 1.00 0.00 O ATOM 0 H GLY A 18 1.574 0.717 9.529 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.202 2.785 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.811 2.413 7.489 1.00 0.00 H new ATOM 200 N PRO A 19 1.238 4.422 8.719 1.00 0.00 N ATOM 201 CA PRO A 19 0.065 5.291 8.853 1.00 0.00 C ATOM 202 C PRO A 19 -0.785 5.317 7.588 1.00 0.00 C ATOM 203 O PRO A 19 -1.919 5.794 7.600 1.00 0.00 O ATOM 204 CB PRO A 19 0.674 6.671 9.117 1.00 0.00 C ATOM 205 CG PRO A 19 2.031 6.609 8.505 1.00 0.00 C ATOM 206 CD PRO A 19 2.495 5.188 8.670 1.00 0.00 C ATOM 0 HA PRO A 19 -0.608 4.949 9.640 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.073 7.462 8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.731 6.881 10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.997 6.889 7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.713 7.302 8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.126 4.872 7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.080 5.059 9.581 1.00 0.00 H new ATOM 214 N GLY A 20 -0.230 4.800 6.496 1.00 0.00 N ATOM 215 CA GLY A 20 -0.952 4.773 5.238 1.00 0.00 C ATOM 216 C GLY A 20 -1.930 3.618 5.155 1.00 0.00 C ATOM 217 O GLY A 20 -3.010 3.750 4.578 1.00 0.00 O ATOM 0 H GLY A 20 0.707 4.399 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.492 5.712 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.240 4.702 4.416 1.00 0.00 H new ATOM 221 N LEU A 21 -1.551 2.482 5.730 1.00 0.00 N ATOM 222 CA LEU A 21 -2.402 1.297 5.718 1.00 0.00 C ATOM 223 C LEU A 21 -3.615 1.488 6.623 1.00 0.00 C ATOM 224 O LEU A 21 -4.732 1.115 6.266 1.00 0.00 O ATOM 225 CB LEU A 21 -1.607 0.069 6.164 1.00 0.00 C ATOM 226 CG LEU A 21 -0.270 -0.158 5.457 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.694 -0.905 6.365 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.478 -0.918 4.155 1.00 0.00 C ATOM 0 H LEU A 21 -0.660 2.356 6.210 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.754 1.143 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.420 0.151 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.228 -0.814 6.016 1.00 0.00 H new ATOM 0 HG LEU A 21 0.165 0.813 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.640 -1.057 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.867 -0.322 7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.267 -1.872 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.484 -1.071 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.935 -1.885 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.132 -0.344 3.499 1.00 0.00 H new ATOM 240 N GLU A 22 -3.387 2.074 7.794 1.00 0.00 N ATOM 241 CA GLU A 22 -4.462 2.316 8.749 1.00 0.00 C ATOM 242 C GLU A 22 -5.279 3.541 8.350 1.00 0.00 C ATOM 243 O GLU A 22 -6.438 3.682 8.740 1.00 0.00 O ATOM 244 CB GLU A 22 -3.891 2.507 10.156 1.00 0.00 C ATOM 245 CG GLU A 22 -3.756 1.212 10.939 1.00 0.00 C ATOM 246 CD GLU A 22 -5.098 0.608 11.304 1.00 0.00 C ATOM 247 OE1 GLU A 22 -5.793 0.113 10.392 1.00 0.00 O ATOM 248 OE2 GLU A 22 -5.454 0.631 12.501 1.00 0.00 O ATOM 0 H GLU A 22 -2.468 2.390 8.104 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.118 1.446 8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.912 2.980 10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.534 3.191 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.187 0.493 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.187 1.400 11.849 1.00 0.00 H new ATOM 255 N GLY A 23 -4.666 4.425 7.569 1.00 0.00 N ATOM 256 CA GLY A 23 -5.351 5.627 7.130 1.00 0.00 C ATOM 257 C GLY A 23 -4.727 6.889 7.693 1.00 0.00 C ATOM 258 O GLY A 23 -3.863 6.826 8.566 1.00 0.00 O ATOM 0 H GLY A 23 -3.708 4.330 7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.336 5.673 6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.397 5.576 7.433 1.00 0.00 H new ATOM 262 N GLY A 24 -5.165 8.039 7.191 1.00 0.00 N ATOM 263 CA GLY A 24 -4.631 9.305 7.660 1.00 0.00 C ATOM 264 C GLY A 24 -5.510 10.480 7.282 1.00 0.00 C ATOM 265 O GLY A 24 -6.691 10.520 7.627 1.00 0.00 O ATOM 0 H GLY A 24 -5.880 8.117 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.522 9.271 8.744 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.634 9.452 7.244 1.00 0.00 H new ATOM 269 N THR A 25 -4.933 11.444 6.571 1.00 0.00 N ATOM 270 CA THR A 25 -5.670 12.628 6.148 1.00 0.00 C ATOM 271 C THR A 25 -5.653 12.773 4.630 1.00 0.00 C ATOM 272 O THR A 25 -4.791 12.214 3.952 1.00 0.00 O ATOM 273 CB THR A 25 -5.090 13.907 6.781 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.289 13.885 8.199 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.743 15.147 6.190 1.00 0.00 C ATOM 0 H THR A 25 -3.957 11.428 6.276 1.00 0.00 H new ATOM 0 HA THR A 25 -6.698 12.498 6.487 1.00 0.00 H new ATOM 0 HB THR A 25 -4.022 13.941 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.916 14.701 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.317 16.038 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.564 15.175 5.115 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.816 15.118 6.378 1.00 0.00 H new ATOM 283 N THR A 26 -6.611 13.528 4.102 1.00 0.00 N ATOM 284 CA THR A 26 -6.707 13.747 2.664 1.00 0.00 C ATOM 285 C THR A 26 -5.578 14.643 2.168 1.00 0.00 C ATOM 286 O THR A 26 -5.094 15.509 2.896 1.00 0.00 O ATOM 287 CB THR A 26 -8.057 14.382 2.281 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.303 15.536 3.091 1.00 0.00 O ATOM 289 CG2 THR A 26 -9.192 13.384 2.453 1.00 0.00 C ATOM 0 H THR A 26 -7.332 13.998 4.649 1.00 0.00 H new ATOM 0 HA THR A 26 -6.627 12.769 2.189 1.00 0.00 H new ATOM 0 HB THR A 26 -8.010 14.678 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.957 16.115 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.135 13.855 2.177 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.017 12.520 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.238 13.062 3.493 1.00 0.00 H new ATOM 297 N GLY A 27 -5.162 14.429 0.923 1.00 0.00 N ATOM 298 CA GLY A 27 -4.093 15.226 0.351 1.00 0.00 C ATOM 299 C GLY A 27 -2.837 15.206 1.199 1.00 0.00 C ATOM 300 O GLY A 27 -2.039 16.143 1.163 1.00 0.00 O ATOM 0 H GLY A 27 -5.546 13.718 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.860 14.853 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.433 16.255 0.235 1.00 0.00 H new ATOM 304 N VAL A 28 -2.660 14.135 1.967 1.00 0.00 N ATOM 305 CA VAL A 28 -1.492 13.997 2.829 1.00 0.00 C ATOM 306 C VAL A 28 -0.663 12.779 2.439 1.00 0.00 C ATOM 307 O VAL A 28 -1.105 11.640 2.587 1.00 0.00 O ATOM 308 CB VAL A 28 -1.899 13.875 4.310 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.701 13.488 5.163 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.517 15.175 4.801 1.00 0.00 C ATOM 0 H VAL A 28 -3.311 13.351 2.010 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.893 14.898 2.698 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.647 13.087 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.008 13.407 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.308 12.529 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.073 14.250 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.799 15.071 5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.793 15.984 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.403 15.403 4.208 1.00 0.00 H new ATOM 320 N SER A 29 0.544 13.027 1.940 1.00 0.00 N ATOM 321 CA SER A 29 1.436 11.951 1.525 1.00 0.00 C ATOM 322 C SER A 29 1.438 10.821 2.551 1.00 0.00 C ATOM 323 O SER A 29 2.061 10.929 3.608 1.00 0.00 O ATOM 324 CB SER A 29 2.857 12.483 1.333 1.00 0.00 C ATOM 325 OG SER A 29 2.872 13.589 0.447 1.00 0.00 O ATOM 0 H SER A 29 0.926 13.964 1.813 1.00 0.00 H new ATOM 0 HA SER A 29 1.072 11.557 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.271 12.779 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.495 11.691 0.942 1.00 0.00 H new ATOM 0 HG SER A 29 3.791 13.912 0.342 1.00 0.00 H new ATOM 331 N SER A 30 0.737 9.739 2.232 1.00 0.00 N ATOM 332 CA SER A 30 0.654 8.590 3.126 1.00 0.00 C ATOM 333 C SER A 30 1.416 7.399 2.553 1.00 0.00 C ATOM 334 O SER A 30 1.208 7.010 1.405 1.00 0.00 O ATOM 335 CB SER A 30 -0.808 8.207 3.364 1.00 0.00 C ATOM 336 OG SER A 30 -1.554 9.313 3.843 1.00 0.00 O ATOM 0 H SER A 30 0.218 9.633 1.360 1.00 0.00 H new ATOM 0 HA SER A 30 1.109 8.867 4.077 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.247 7.843 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.861 7.390 4.084 1.00 0.00 H new ATOM 0 HG SER A 30 -1.576 10.014 3.158 1.00 0.00 H new ATOM 342 N GLU A 31 2.301 6.826 3.364 1.00 0.00 N ATOM 343 CA GLU A 31 3.095 5.680 2.937 1.00 0.00 C ATOM 344 C GLU A 31 3.125 4.605 4.020 1.00 0.00 C ATOM 345 O GLU A 31 2.577 4.788 5.107 1.00 0.00 O ATOM 346 CB GLU A 31 4.522 6.118 2.599 1.00 0.00 C ATOM 347 CG GLU A 31 5.258 6.749 3.769 1.00 0.00 C ATOM 348 CD GLU A 31 6.401 7.642 3.326 1.00 0.00 C ATOM 349 OE1 GLU A 31 6.128 8.695 2.712 1.00 0.00 O ATOM 350 OE2 GLU A 31 7.568 7.288 3.594 1.00 0.00 O ATOM 0 H GLU A 31 2.485 7.136 4.318 1.00 0.00 H new ATOM 0 HA GLU A 31 2.630 5.260 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.086 5.253 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.489 6.830 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.555 7.333 4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.646 5.962 4.416 1.00 0.00 H new ATOM 357 N PHE A 32 3.768 3.483 3.715 1.00 0.00 N ATOM 358 CA PHE A 32 3.868 2.378 4.660 1.00 0.00 C ATOM 359 C PHE A 32 5.014 1.442 4.284 1.00 0.00 C ATOM 360 O PHE A 32 5.399 1.353 3.118 1.00 0.00 O ATOM 361 CB PHE A 32 2.553 1.598 4.707 1.00 0.00 C ATOM 362 CG PHE A 32 2.066 1.162 3.355 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.466 -0.050 2.817 1.00 0.00 C ATOM 364 CD2 PHE A 32 1.208 1.965 2.621 1.00 0.00 C ATOM 365 CE1 PHE A 32 2.019 -0.455 1.573 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.757 1.566 1.377 1.00 0.00 C ATOM 367 CZ PHE A 32 1.165 0.355 0.851 1.00 0.00 C ATOM 0 H PHE A 32 4.228 3.315 2.820 1.00 0.00 H new ATOM 0 HA PHE A 32 4.071 2.795 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.684 0.719 5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.789 2.217 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.135 -0.687 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.888 2.914 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.337 -1.404 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.086 2.200 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.817 0.043 -0.122 1.00 0.00 H new ATOM 377 N ILE A 33 5.554 0.748 5.280 1.00 0.00 N ATOM 378 CA ILE A 33 6.654 -0.181 5.054 1.00 0.00 C ATOM 379 C ILE A 33 6.165 -1.625 5.058 1.00 0.00 C ATOM 380 O ILE A 33 5.273 -1.988 5.826 1.00 0.00 O ATOM 381 CB ILE A 33 7.754 -0.020 6.120 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.438 1.341 5.978 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.772 -1.146 6.005 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.531 1.577 6.997 1.00 0.00 C ATOM 0 H ILE A 33 5.248 0.811 6.251 1.00 0.00 H new ATOM 0 HA ILE A 33 7.070 0.055 4.075 1.00 0.00 H new ATOM 0 HB ILE A 33 7.293 -0.072 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.862 1.423 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.689 2.127 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.543 -1.018 6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.273 -2.104 6.152 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.230 -1.123 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 33 9.972 2.561 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.109 1.527 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.301 0.813 6.889 1.00 0.00 H new ATOM 396 N VAL A 34 6.755 -2.447 4.196 1.00 0.00 N ATOM 397 CA VAL A 34 6.381 -3.853 4.102 1.00 0.00 C ATOM 398 C VAL A 34 7.552 -4.758 4.465 1.00 0.00 C ATOM 399 O VAL A 34 8.522 -4.867 3.715 1.00 0.00 O ATOM 400 CB VAL A 34 5.890 -4.210 2.686 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.562 -5.692 2.592 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.683 -3.363 2.312 1.00 0.00 C ATOM 0 H VAL A 34 7.494 -2.163 3.553 1.00 0.00 H new ATOM 0 HA VAL A 34 5.569 -4.013 4.811 1.00 0.00 H new ATOM 0 HB VAL A 34 6.690 -3.995 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.217 -5.925 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.454 -6.277 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.779 -5.938 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.349 -3.628 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.877 -3.545 3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.957 -2.308 2.336 1.00 0.00 H new ATOM 412 N ASN A 35 7.455 -5.408 5.620 1.00 0.00 N ATOM 413 CA ASN A 35 8.508 -6.305 6.083 1.00 0.00 C ATOM 414 C ASN A 35 8.535 -7.585 5.255 1.00 0.00 C ATOM 415 O ASN A 35 7.671 -8.451 5.399 1.00 0.00 O ATOM 416 CB ASN A 35 8.303 -6.645 7.561 1.00 0.00 C ATOM 417 CG ASN A 35 8.998 -7.933 7.960 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.486 -9.026 7.720 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.169 -7.808 8.572 1.00 0.00 N ATOM 0 H ASN A 35 6.658 -5.331 6.252 1.00 0.00 H new ATOM 0 HA ASN A 35 9.464 -5.795 5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.680 -5.827 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.236 -6.732 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.683 -8.639 8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.555 -6.881 8.750 1.00 0.00 H new ATOM 426 N THR A 36 9.534 -7.700 4.385 1.00 0.00 N ATOM 427 CA THR A 36 9.674 -8.874 3.532 1.00 0.00 C ATOM 428 C THR A 36 11.061 -9.492 3.671 1.00 0.00 C ATOM 429 O THR A 36 11.536 -10.184 2.770 1.00 0.00 O ATOM 430 CB THR A 36 9.425 -8.526 2.053 1.00 0.00 C ATOM 431 OG1 THR A 36 10.385 -7.561 1.608 1.00 0.00 O ATOM 432 CG2 THR A 36 8.020 -7.980 1.854 1.00 0.00 C ATOM 0 H THR A 36 10.258 -6.994 4.253 1.00 0.00 H new ATOM 0 HA THR A 36 8.924 -9.594 3.859 1.00 0.00 H new ATOM 0 HB THR A 36 9.529 -9.439 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.556 -7.687 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.868 -7.741 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.291 -8.728 2.165 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.892 -7.078 2.453 1.00 0.00 H new ATOM 440 N LEU A 37 11.705 -9.238 4.805 1.00 0.00 N ATOM 441 CA LEU A 37 13.039 -9.771 5.062 1.00 0.00 C ATOM 442 C LEU A 37 12.964 -11.215 5.549 1.00 0.00 C ATOM 443 O LEU A 37 13.871 -12.009 5.307 1.00 0.00 O ATOM 444 CB LEU A 37 13.763 -8.909 6.098 1.00 0.00 C ATOM 445 CG LEU A 37 13.793 -7.406 5.816 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.015 -6.626 7.103 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.873 -7.075 4.797 1.00 0.00 C ATOM 0 H LEU A 37 11.326 -8.667 5.560 1.00 0.00 H new ATOM 0 HA LEU A 37 13.598 -9.751 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.291 -9.067 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.790 -9.263 6.182 1.00 0.00 H new ATOM 0 HG LEU A 37 12.828 -7.115 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.033 -5.559 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.206 -6.839 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.965 -6.921 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.879 -6.001 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.845 -7.381 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.670 -7.605 3.866 1.00 0.00 H new ATOM 459 N ASN A 38 11.875 -11.546 6.236 1.00 0.00 N ATOM 460 CA ASN A 38 11.681 -12.895 6.755 1.00 0.00 C ATOM 461 C ASN A 38 11.376 -13.875 5.626 1.00 0.00 C ATOM 462 O ASN A 38 11.789 -15.033 5.667 1.00 0.00 O ATOM 463 CB ASN A 38 10.544 -12.911 7.779 1.00 0.00 C ATOM 464 CG ASN A 38 11.010 -12.514 9.166 1.00 0.00 C ATOM 465 OD1 ASN A 38 11.343 -13.366 9.990 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.036 -11.213 9.432 1.00 0.00 N ATOM 0 H ASN A 38 11.115 -10.899 6.446 1.00 0.00 H new ATOM 0 HA ASN A 38 12.605 -13.206 7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.757 -12.230 7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.107 -13.909 7.817 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.341 -10.886 10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.751 -10.541 8.719 1.00 0.00 H new ATOM 473 N ALA A 39 10.651 -13.400 4.618 1.00 0.00 N ATOM 474 CA ALA A 39 10.294 -14.233 3.476 1.00 0.00 C ATOM 475 C ALA A 39 11.533 -14.653 2.693 1.00 0.00 C ATOM 476 O ALA A 39 11.763 -15.840 2.467 1.00 0.00 O ATOM 477 CB ALA A 39 9.320 -13.495 2.570 1.00 0.00 C ATOM 0 H ALA A 39 10.300 -12.444 4.569 1.00 0.00 H new ATOM 0 HA ALA A 39 9.812 -15.135 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.062 -14.128 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.417 -13.251 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.783 -12.576 2.210 1.00 0.00 H new ATOM 483 N GLY A 40 12.329 -13.670 2.282 1.00 0.00 N ATOM 484 CA GLY A 40 13.535 -13.959 1.528 1.00 0.00 C ATOM 485 C GLY A 40 13.561 -13.257 0.184 1.00 0.00 C ATOM 486 O GLY A 40 14.268 -12.266 0.008 1.00 0.00 O ATOM 0 H GLY A 40 12.160 -12.680 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.405 -13.655 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.614 -15.035 1.374 1.00 0.00 H new ATOM 490 N SER A 41 12.788 -13.773 -0.766 1.00 0.00 N ATOM 491 CA SER A 41 12.729 -13.193 -2.103 1.00 0.00 C ATOM 492 C SER A 41 11.452 -13.614 -2.822 1.00 0.00 C ATOM 493 O SER A 41 10.963 -14.729 -2.642 1.00 0.00 O ATOM 494 CB SER A 41 13.952 -13.616 -2.919 1.00 0.00 C ATOM 495 OG SER A 41 14.094 -15.026 -2.931 1.00 0.00 O ATOM 0 H SER A 41 12.194 -14.592 -0.635 1.00 0.00 H new ATOM 0 HA SER A 41 12.726 -12.108 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.856 -13.248 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.849 -13.161 -2.499 1.00 0.00 H new ATOM 0 HG SER A 41 14.882 -15.271 -3.460 1.00 0.00 H new ATOM 501 N GLY A 42 10.916 -12.713 -3.640 1.00 0.00 N ATOM 502 CA GLY A 42 9.700 -13.009 -4.375 1.00 0.00 C ATOM 503 C GLY A 42 9.169 -11.804 -5.126 1.00 0.00 C ATOM 504 O GLY A 42 9.932 -10.922 -5.518 1.00 0.00 O ATOM 0 H GLY A 42 11.302 -11.784 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.893 -13.817 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.938 -13.366 -3.682 1.00 0.00 H new ATOM 508 N ALA A 43 7.856 -11.767 -5.328 1.00 0.00 N ATOM 509 CA ALA A 43 7.223 -10.661 -6.036 1.00 0.00 C ATOM 510 C ALA A 43 6.129 -10.021 -5.189 1.00 0.00 C ATOM 511 O ALA A 43 5.171 -10.684 -4.790 1.00 0.00 O ATOM 512 CB ALA A 43 6.653 -11.141 -7.363 1.00 0.00 C ATOM 0 H ALA A 43 7.210 -12.490 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 43 7.983 -9.905 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.183 -10.305 -7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.456 -11.545 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.911 -11.918 -7.180 1.00 0.00 H new ATOM 518 N LEU A 44 6.278 -8.729 -4.917 1.00 0.00 N ATOM 519 CA LEU A 44 5.302 -7.998 -4.116 1.00 0.00 C ATOM 520 C LEU A 44 4.295 -7.278 -5.007 1.00 0.00 C ATOM 521 O LEU A 44 4.637 -6.809 -6.093 1.00 0.00 O ATOM 522 CB LEU A 44 6.010 -6.991 -3.208 1.00 0.00 C ATOM 523 CG LEU A 44 5.106 -6.004 -2.468 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.423 -6.685 -1.292 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.907 -4.798 -1.996 1.00 0.00 C ATOM 0 H LEU A 44 7.065 -8.166 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 44 4.763 -8.717 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.592 -7.544 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.718 -6.423 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 44 4.337 -5.657 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.784 -5.968 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.818 -7.516 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.177 -7.060 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.248 -4.106 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.698 -5.128 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.350 -4.296 -2.856 1.00 0.00 H new ATOM 537 N SER A 45 3.054 -7.192 -4.539 1.00 0.00 N ATOM 538 CA SER A 45 1.997 -6.529 -5.295 1.00 0.00 C ATOM 539 C SER A 45 1.229 -5.551 -4.411 1.00 0.00 C ATOM 540 O SER A 45 0.675 -5.931 -3.379 1.00 0.00 O ATOM 541 CB SER A 45 1.036 -7.564 -5.883 1.00 0.00 C ATOM 542 OG SER A 45 0.433 -7.083 -7.071 1.00 0.00 O ATOM 0 H SER A 45 2.756 -7.573 -3.641 1.00 0.00 H new ATOM 0 HA SER A 45 2.461 -5.971 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.576 -8.487 -6.093 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.264 -7.805 -5.152 1.00 0.00 H new ATOM 0 HG SER A 45 -0.175 -7.764 -7.428 1.00 0.00 H new ATOM 548 N VAL A 46 1.201 -4.287 -4.824 1.00 0.00 N ATOM 549 CA VAL A 46 0.501 -3.253 -4.071 1.00 0.00 C ATOM 550 C VAL A 46 -0.555 -2.568 -4.931 1.00 0.00 C ATOM 551 O VAL A 46 -0.317 -2.262 -6.101 1.00 0.00 O ATOM 552 CB VAL A 46 1.479 -2.191 -3.535 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.727 -1.109 -2.774 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.536 -2.837 -2.652 1.00 0.00 C ATOM 0 H VAL A 46 1.655 -3.955 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 46 0.016 -3.747 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 46 1.982 -1.725 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.434 -0.367 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.011 -0.627 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.196 -1.557 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.218 -2.072 -2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.053 -3.331 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.095 -3.572 -3.232 1.00 0.00 H new ATOM 564 N THR A 47 -1.724 -2.328 -4.345 1.00 0.00 N ATOM 565 CA THR A 47 -2.817 -1.679 -5.057 1.00 0.00 C ATOM 566 C THR A 47 -3.735 -0.935 -4.094 1.00 0.00 C ATOM 567 O THR A 47 -3.860 -1.308 -2.928 1.00 0.00 O ATOM 568 CB THR A 47 -3.650 -2.699 -5.857 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.025 -3.794 -5.014 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.866 -3.218 -7.053 1.00 0.00 C ATOM 0 H THR A 47 -1.938 -2.574 -3.378 1.00 0.00 H new ATOM 0 HA THR A 47 -2.366 -0.967 -5.748 1.00 0.00 H new ATOM 0 HB THR A 47 -4.547 -2.198 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.912 -4.120 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.474 -3.937 -7.603 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.607 -2.386 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.954 -3.704 -6.707 1.00 0.00 H new ATOM 578 N ILE A 48 -4.375 0.119 -4.590 1.00 0.00 N ATOM 579 CA ILE A 48 -5.283 0.915 -3.773 1.00 0.00 C ATOM 580 C ILE A 48 -6.589 1.188 -4.511 1.00 0.00 C ATOM 581 O ILE A 48 -6.585 1.590 -5.674 1.00 0.00 O ATOM 582 CB ILE A 48 -4.645 2.256 -3.367 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.394 2.016 -2.519 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.649 3.112 -2.609 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.566 3.262 -2.297 1.00 0.00 C ATOM 0 H ILE A 48 -4.282 0.441 -5.553 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.491 0.335 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.351 2.789 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.693 1.611 -1.552 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.776 1.260 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.183 4.057 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.513 3.308 -3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.971 2.586 -1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.696 3.017 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.237 3.656 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.168 4.012 -1.784 1.00 0.00 H new ATOM 597 N ASP A 49 -7.706 0.968 -3.825 1.00 0.00 N ATOM 598 CA ASP A 49 -9.021 1.194 -4.414 1.00 0.00 C ATOM 599 C ASP A 49 -9.875 2.079 -3.512 1.00 0.00 C ATOM 600 O ASP A 49 -10.138 1.739 -2.359 1.00 0.00 O ATOM 601 CB ASP A 49 -9.729 -0.140 -4.658 1.00 0.00 C ATOM 602 CG ASP A 49 -10.675 -0.084 -5.842 1.00 0.00 C ATOM 603 OD1 ASP A 49 -11.711 0.606 -5.741 1.00 0.00 O ATOM 604 OD2 ASP A 49 -10.380 -0.731 -6.869 1.00 0.00 O ATOM 0 H ASP A 49 -7.727 0.634 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.883 1.704 -5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.984 -0.918 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.286 -0.422 -3.764 1.00 0.00 H new ATOM 609 N GLY A 50 -10.306 3.219 -4.046 1.00 0.00 N ATOM 610 CA GLY A 50 -11.125 4.136 -3.275 1.00 0.00 C ATOM 611 C GLY A 50 -12.071 4.940 -4.146 1.00 0.00 C ATOM 612 O GLY A 50 -12.241 4.664 -5.333 1.00 0.00 O ATOM 0 H GLY A 50 -10.102 3.523 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.701 3.574 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.479 4.817 -2.720 1.00 0.00 H new ATOM 616 N PRO A 51 -12.706 5.960 -3.550 1.00 0.00 N ATOM 617 CA PRO A 51 -13.652 6.826 -4.260 1.00 0.00 C ATOM 618 C PRO A 51 -12.961 7.724 -5.280 1.00 0.00 C ATOM 619 O PRO A 51 -13.616 8.468 -6.012 1.00 0.00 O ATOM 620 CB PRO A 51 -14.272 7.666 -3.141 1.00 0.00 C ATOM 621 CG PRO A 51 -13.246 7.677 -2.062 1.00 0.00 C ATOM 622 CD PRO A 51 -12.551 6.346 -2.137 1.00 0.00 C ATOM 0 HA PRO A 51 -14.380 6.252 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.498 8.676 -3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.209 7.231 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.539 8.495 -2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.708 7.821 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.501 6.424 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.007 5.616 -1.468 1.00 0.00 H new ATOM 630 N SER A 52 -11.635 7.651 -5.325 1.00 0.00 N ATOM 631 CA SER A 52 -10.855 8.460 -6.254 1.00 0.00 C ATOM 632 C SER A 52 -9.423 7.942 -6.356 1.00 0.00 C ATOM 633 O SER A 52 -8.676 7.950 -5.377 1.00 0.00 O ATOM 634 CB SER A 52 -10.849 9.924 -5.808 1.00 0.00 C ATOM 635 OG SER A 52 -12.018 10.594 -6.245 1.00 0.00 O ATOM 0 H SER A 52 -11.078 7.039 -4.728 1.00 0.00 H new ATOM 0 HA SER A 52 -11.320 8.389 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.781 9.976 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.968 10.426 -6.207 1.00 0.00 H new ATOM 0 HG SER A 52 -12.755 9.952 -6.317 1.00 0.00 H new ATOM 641 N LYS A 53 -9.047 7.492 -7.548 1.00 0.00 N ATOM 642 CA LYS A 53 -7.705 6.971 -7.781 1.00 0.00 C ATOM 643 C LYS A 53 -6.676 7.724 -6.944 1.00 0.00 C ATOM 644 O LYS A 53 -6.842 8.909 -6.655 1.00 0.00 O ATOM 645 CB LYS A 53 -7.346 7.077 -9.265 1.00 0.00 C ATOM 646 CG LYS A 53 -7.921 5.954 -10.111 1.00 0.00 C ATOM 647 CD LYS A 53 -7.978 6.337 -11.581 1.00 0.00 C ATOM 648 CE LYS A 53 -9.040 7.395 -11.840 1.00 0.00 C ATOM 649 NZ LYS A 53 -9.316 7.559 -13.294 1.00 0.00 N ATOM 0 H LYS A 53 -9.653 7.478 -8.368 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.692 5.922 -7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.705 8.031 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.261 7.080 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.312 5.058 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.923 5.708 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.005 6.711 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.190 5.452 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.960 7.120 -11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.713 8.347 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.045 8.289 -13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.444 7.846 -13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.652 6.657 -13.687 1.00 0.00 H new ATOM 663 N VAL A 54 -5.612 7.027 -6.556 1.00 0.00 N ATOM 664 CA VAL A 54 -4.555 7.631 -5.754 1.00 0.00 C ATOM 665 C VAL A 54 -3.179 7.306 -6.324 1.00 0.00 C ATOM 666 O VAL A 54 -2.755 6.150 -6.328 1.00 0.00 O ATOM 667 CB VAL A 54 -4.618 7.152 -4.291 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.960 7.509 -3.670 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.365 5.654 -4.210 1.00 0.00 C ATOM 0 H VAL A 54 -5.460 6.045 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.712 8.709 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.837 7.660 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.986 7.163 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.096 8.590 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.761 7.030 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.413 5.333 -3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.123 5.125 -4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.378 5.429 -4.614 1.00 0.00 H new ATOM 679 N GLN A 55 -2.486 8.333 -6.805 1.00 0.00 N ATOM 680 CA GLN A 55 -1.157 8.156 -7.378 1.00 0.00 C ATOM 681 C GLN A 55 -0.194 7.569 -6.350 1.00 0.00 C ATOM 682 O GLN A 55 0.132 8.213 -5.352 1.00 0.00 O ATOM 683 CB GLN A 55 -0.619 9.492 -7.894 1.00 0.00 C ATOM 684 CG GLN A 55 0.382 9.347 -9.029 1.00 0.00 C ATOM 685 CD GLN A 55 0.491 10.601 -9.874 1.00 0.00 C ATOM 686 OE1 GLN A 55 -0.287 10.804 -10.807 1.00 0.00 O ATOM 687 NE2 GLN A 55 1.460 11.450 -9.552 1.00 0.00 N ATOM 0 H GLN A 55 -2.823 9.296 -6.809 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.238 7.459 -8.212 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.455 10.104 -8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.147 10.027 -7.070 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.361 9.105 -8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.088 8.510 -9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.082 11.242 -8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.582 12.311 -10.086 1.00 0.00 H new ATOM 696 N LEU A 56 0.257 6.345 -6.601 1.00 0.00 N ATOM 697 CA LEU A 56 1.182 5.671 -5.697 1.00 0.00 C ATOM 698 C LEU A 56 2.575 5.581 -6.312 1.00 0.00 C ATOM 699 O LEU A 56 2.735 5.675 -7.529 1.00 0.00 O ATOM 700 CB LEU A 56 0.669 4.270 -5.362 1.00 0.00 C ATOM 701 CG LEU A 56 0.376 3.359 -6.555 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.625 2.592 -6.961 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.759 2.400 -6.227 1.00 0.00 C ATOM 0 H LEU A 56 -0.003 5.799 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 56 1.246 6.256 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.405 3.778 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.243 4.370 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 56 0.068 3.981 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.397 1.949 -7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.410 3.296 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.964 1.981 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.954 1.759 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.480 1.784 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.658 2.968 -5.987 1.00 0.00 H new ATOM 715 N ASP A 57 3.580 5.397 -5.463 1.00 0.00 N ATOM 716 CA ASP A 57 4.960 5.291 -5.923 1.00 0.00 C ATOM 717 C ASP A 57 5.725 4.249 -5.112 1.00 0.00 C ATOM 718 O ASP A 57 5.737 4.293 -3.881 1.00 0.00 O ATOM 719 CB ASP A 57 5.659 6.647 -5.822 1.00 0.00 C ATOM 720 CG ASP A 57 6.745 6.818 -6.866 1.00 0.00 C ATOM 721 OD1 ASP A 57 7.797 6.155 -6.743 1.00 0.00 O ATOM 722 OD2 ASP A 57 6.544 7.613 -7.807 1.00 0.00 O ATOM 0 H ASP A 57 3.465 5.318 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 57 4.946 4.975 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.922 7.442 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.094 6.755 -4.828 1.00 0.00 H new ATOM 727 N CYS A 58 6.360 3.314 -5.809 1.00 0.00 N ATOM 728 CA CYS A 58 7.125 2.259 -5.153 1.00 0.00 C ATOM 729 C CYS A 58 8.554 2.716 -4.877 1.00 0.00 C ATOM 730 O CYS A 58 9.178 3.375 -5.710 1.00 0.00 O ATOM 731 CB CYS A 58 7.138 0.998 -6.017 1.00 0.00 C ATOM 732 SG CYS A 58 7.942 1.211 -7.623 1.00 0.00 S ATOM 0 H CYS A 58 6.361 3.264 -6.828 1.00 0.00 H new ATOM 0 HA CYS A 58 6.644 2.033 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.645 0.202 -5.472 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.111 0.670 -6.178 1.00 0.00 H new ATOM 0 HG CYS A 58 8.798 2.187 -7.554 1.00 0.00 H new ATOM 738 N ARG A 59 9.066 2.364 -3.702 1.00 0.00 N ATOM 739 CA ARG A 59 10.420 2.740 -3.315 1.00 0.00 C ATOM 740 C ARG A 59 11.149 1.563 -2.673 1.00 0.00 C ATOM 741 O ARG A 59 10.580 0.485 -2.507 1.00 0.00 O ATOM 742 CB ARG A 59 10.386 3.923 -2.346 1.00 0.00 C ATOM 743 CG ARG A 59 10.379 5.277 -3.037 1.00 0.00 C ATOM 744 CD ARG A 59 10.154 6.407 -2.045 1.00 0.00 C ATOM 745 NE ARG A 59 10.257 7.719 -2.678 1.00 0.00 N ATOM 746 CZ ARG A 59 10.448 8.848 -2.004 1.00 0.00 C ATOM 747 NH1 ARG A 59 10.555 8.824 -0.683 1.00 0.00 N ATOM 748 NH2 ARG A 59 10.531 10.003 -2.651 1.00 0.00 N ATOM 0 H ARG A 59 8.563 1.819 -3.002 1.00 0.00 H new ATOM 0 HA ARG A 59 10.961 3.032 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.500 3.841 -1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.252 3.866 -1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.327 5.428 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.596 5.296 -3.795 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.169 6.300 -1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.886 6.334 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 59 10.178 7.772 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.491 7.938 -0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.702 9.692 -0.167 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.448 10.025 -3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.678 10.869 -2.132 1.00 0.00 H new ATOM 762 N GLU A 60 12.410 1.779 -2.314 1.00 0.00 N ATOM 763 CA GLU A 60 13.216 0.736 -1.692 1.00 0.00 C ATOM 764 C GLU A 60 13.547 1.094 -0.245 1.00 0.00 C ATOM 765 O GLU A 60 13.978 2.210 0.046 1.00 0.00 O ATOM 766 CB GLU A 60 14.508 0.518 -2.483 1.00 0.00 C ATOM 767 CG GLU A 60 15.524 1.634 -2.308 1.00 0.00 C ATOM 768 CD GLU A 60 16.618 1.596 -3.358 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.349 1.996 -4.510 1.00 0.00 O ATOM 770 OE2 GLU A 60 17.743 1.166 -3.027 1.00 0.00 O ATOM 0 H GLU A 60 12.895 2.667 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 60 12.636 -0.187 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.959 -0.425 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.265 0.422 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.013 2.596 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.973 1.560 -1.318 1.00 0.00 H new ATOM 777 N CYS A 61 13.341 0.139 0.655 1.00 0.00 N ATOM 778 CA CYS A 61 13.616 0.353 2.072 1.00 0.00 C ATOM 779 C CYS A 61 14.379 -0.828 2.662 1.00 0.00 C ATOM 780 O CYS A 61 14.273 -1.962 2.197 1.00 0.00 O ATOM 781 CB CYS A 61 12.310 0.567 2.839 1.00 0.00 C ATOM 782 SG CYS A 61 11.305 -0.926 3.016 1.00 0.00 S ATOM 0 H CYS A 61 12.985 -0.790 0.430 1.00 0.00 H new ATOM 0 HA CYS A 61 14.235 1.245 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.543 0.955 3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.722 1.330 2.328 1.00 0.00 H new ATOM 0 HG CYS A 61 10.048 -0.599 3.072 1.00 0.00 H new ATOM 788 N PRO A 62 15.170 -0.557 3.711 1.00 0.00 N ATOM 789 CA PRO A 62 15.968 -1.584 4.387 1.00 0.00 C ATOM 790 C PRO A 62 15.104 -2.569 5.168 1.00 0.00 C ATOM 791 O PRO A 62 15.618 -3.479 5.816 1.00 0.00 O ATOM 792 CB PRO A 62 16.852 -0.776 5.340 1.00 0.00 C ATOM 793 CG PRO A 62 16.090 0.479 5.592 1.00 0.00 C ATOM 794 CD PRO A 62 15.345 0.773 4.319 1.00 0.00 C ATOM 0 HA PRO A 62 16.528 -2.196 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.036 -1.320 6.266 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.825 -0.566 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.401 0.356 6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.761 1.298 5.850 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.387 1.254 4.516 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.909 1.441 3.668 1.00 0.00 H new ATOM 802 N GLU A 63 13.790 -2.379 5.100 1.00 0.00 N ATOM 803 CA GLU A 63 12.856 -3.252 5.801 1.00 0.00 C ATOM 804 C GLU A 63 12.143 -4.183 4.824 1.00 0.00 C ATOM 805 O GLU A 63 11.493 -5.146 5.229 1.00 0.00 O ATOM 806 CB GLU A 63 11.829 -2.422 6.574 1.00 0.00 C ATOM 807 CG GLU A 63 12.308 -1.988 7.949 1.00 0.00 C ATOM 808 CD GLU A 63 12.269 -3.115 8.963 1.00 0.00 C ATOM 809 OE1 GLU A 63 11.368 -3.973 8.860 1.00 0.00 O ATOM 810 OE2 GLU A 63 13.139 -3.138 9.858 1.00 0.00 O ATOM 0 H GLU A 63 13.349 -1.629 4.567 1.00 0.00 H new ATOM 0 HA GLU A 63 13.425 -3.859 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.576 -1.537 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.913 -3.003 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.327 -1.609 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.688 -1.165 8.303 1.00 0.00 H new ATOM 817 N GLY A 64 12.269 -3.887 3.534 1.00 0.00 N ATOM 818 CA GLY A 64 11.631 -4.705 2.519 1.00 0.00 C ATOM 819 C GLY A 64 11.158 -3.891 1.332 1.00 0.00 C ATOM 820 O GLY A 64 11.911 -3.668 0.383 1.00 0.00 O ATOM 0 H GLY A 64 12.802 -3.095 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.332 -5.467 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.782 -5.228 2.959 1.00 0.00 H new ATOM 824 N HIS A 65 9.907 -3.446 1.381 1.00 0.00 N ATOM 825 CA HIS A 65 9.334 -2.653 0.300 1.00 0.00 C ATOM 826 C HIS A 65 8.450 -1.538 0.852 1.00 0.00 C ATOM 827 O HIS A 65 7.626 -1.767 1.738 1.00 0.00 O ATOM 828 CB HIS A 65 8.522 -3.544 -0.640 1.00 0.00 C ATOM 829 CG HIS A 65 9.348 -4.564 -1.362 1.00 0.00 C ATOM 830 ND1 HIS A 65 10.123 -4.262 -2.462 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.520 -5.887 -1.134 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.734 -5.356 -2.880 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.385 -6.356 -2.091 1.00 0.00 N ATOM 0 H HIS A 65 9.270 -3.621 2.158 1.00 0.00 H new ATOM 0 HA HIS A 65 10.154 -2.200 -0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.749 -4.055 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 65 8.013 -2.917 -1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.062 -6.466 -0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.405 -5.422 -3.724 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.706 -7.320 -2.179 1.00 0.00 H new ATOM 842 N VAL A 66 8.628 -0.331 0.324 1.00 0.00 N ATOM 843 CA VAL A 66 7.847 0.818 0.764 1.00 0.00 C ATOM 844 C VAL A 66 7.143 1.487 -0.411 1.00 0.00 C ATOM 845 O VAL A 66 7.660 1.507 -1.528 1.00 0.00 O ATOM 846 CB VAL A 66 8.731 1.858 1.478 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.760 2.434 0.516 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.875 2.961 2.080 1.00 0.00 C ATOM 0 H VAL A 66 9.306 -0.124 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 66 7.101 0.443 1.465 1.00 0.00 H new ATOM 0 HB VAL A 66 9.265 1.361 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.376 3.167 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.393 1.632 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.249 2.917 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.516 3.687 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.313 3.458 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.182 2.530 2.802 1.00 0.00 H new ATOM 858 N VAL A 67 5.960 2.035 -0.152 1.00 0.00 N ATOM 859 CA VAL A 67 5.185 2.707 -1.188 1.00 0.00 C ATOM 860 C VAL A 67 4.528 3.973 -0.649 1.00 0.00 C ATOM 861 O VAL A 67 4.021 3.993 0.473 1.00 0.00 O ATOM 862 CB VAL A 67 4.096 1.782 -1.763 1.00 0.00 C ATOM 863 CG1 VAL A 67 3.266 2.517 -2.804 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.722 0.528 -2.357 1.00 0.00 C ATOM 0 H VAL A 67 5.517 2.027 0.767 1.00 0.00 H new ATOM 0 HA VAL A 67 5.882 2.973 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 67 3.434 1.481 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.502 1.848 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.788 3.382 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.912 2.849 -3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.938 -0.115 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.408 0.808 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.269 -0.008 -1.581 1.00 0.00 H new ATOM 874 N THR A 68 4.540 5.029 -1.456 1.00 0.00 N ATOM 875 CA THR A 68 3.946 6.300 -1.061 1.00 0.00 C ATOM 876 C THR A 68 2.775 6.664 -1.966 1.00 0.00 C ATOM 877 O THR A 68 2.829 6.463 -3.179 1.00 0.00 O ATOM 878 CB THR A 68 4.982 7.439 -1.097 1.00 0.00 C ATOM 879 OG1 THR A 68 6.199 7.015 -0.472 1.00 0.00 O ATOM 880 CG2 THR A 68 4.449 8.678 -0.392 1.00 0.00 C ATOM 0 H THR A 68 4.955 5.029 -2.388 1.00 0.00 H new ATOM 0 HA THR A 68 3.587 6.178 -0.039 1.00 0.00 H new ATOM 0 HB THR A 68 5.178 7.689 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.853 7.744 -0.501 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.198 9.469 -0.430 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.539 9.016 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.228 8.438 0.648 1.00 0.00 H new ATOM 888 N TYR A 69 1.718 7.203 -1.368 1.00 0.00 N ATOM 889 CA TYR A 69 0.532 7.594 -2.121 1.00 0.00 C ATOM 890 C TYR A 69 -0.116 8.833 -1.511 1.00 0.00 C ATOM 891 O TYR A 69 0.193 9.220 -0.383 1.00 0.00 O ATOM 892 CB TYR A 69 -0.476 6.444 -2.159 1.00 0.00 C ATOM 893 CG TYR A 69 -1.220 6.248 -0.857 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.268 7.087 -0.499 1.00 0.00 C ATOM 895 CD2 TYR A 69 -0.874 5.223 0.015 1.00 0.00 C ATOM 896 CE1 TYR A 69 -2.950 6.912 0.689 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.552 5.039 1.205 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.588 5.886 1.538 1.00 0.00 C ATOM 899 OH TYR A 69 -3.264 5.708 2.723 1.00 0.00 O ATOM 0 H TYR A 69 1.658 7.379 -0.365 1.00 0.00 H new ATOM 0 HA TYR A 69 0.841 7.831 -3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.197 6.630 -2.955 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.047 5.522 -2.411 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.554 7.890 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.062 4.559 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.762 7.574 0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.272 4.236 1.871 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.951 4.887 3.158 1.00 0.00 H new ATOM 909 N THR A 70 -1.018 9.454 -2.265 1.00 0.00 N ATOM 910 CA THR A 70 -1.711 10.649 -1.801 1.00 0.00 C ATOM 911 C THR A 70 -3.197 10.588 -2.133 1.00 0.00 C ATOM 912 O THR A 70 -3.595 10.512 -3.296 1.00 0.00 O ATOM 913 CB THR A 70 -1.109 11.924 -2.423 1.00 0.00 C ATOM 914 OG1 THR A 70 0.256 12.071 -2.016 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.902 13.154 -2.009 1.00 0.00 C ATOM 0 H THR A 70 -1.286 9.148 -3.201 1.00 0.00 H new ATOM 0 HA THR A 70 -1.586 10.687 -0.719 1.00 0.00 H new ATOM 0 HB THR A 70 -1.156 11.829 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.631 12.883 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.458 14.042 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.933 13.052 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.883 13.251 -0.923 1.00 0.00 H new ATOM 923 N PRO A 71 -4.039 10.621 -1.090 1.00 0.00 N ATOM 924 CA PRO A 71 -5.496 10.572 -1.247 1.00 0.00 C ATOM 925 C PRO A 71 -6.056 11.848 -1.865 1.00 0.00 C ATOM 926 O PRO A 71 -5.512 12.934 -1.670 1.00 0.00 O ATOM 927 CB PRO A 71 -6.002 10.407 0.189 1.00 0.00 C ATOM 928 CG PRO A 71 -4.927 10.992 1.039 1.00 0.00 C ATOM 929 CD PRO A 71 -3.634 10.711 0.323 1.00 0.00 C ATOM 0 HA PRO A 71 -5.807 9.771 -1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.950 10.925 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.171 9.358 0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.074 12.064 1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.928 10.544 2.033 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.905 11.506 0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.176 9.785 0.670 1.00 0.00 H new ATOM 937 N MET A 72 -7.147 11.709 -2.612 1.00 0.00 N ATOM 938 CA MET A 72 -7.781 12.852 -3.258 1.00 0.00 C ATOM 939 C MET A 72 -9.159 13.118 -2.661 1.00 0.00 C ATOM 940 O MET A 72 -9.669 14.236 -2.726 1.00 0.00 O ATOM 941 CB MET A 72 -7.904 12.611 -4.764 1.00 0.00 C ATOM 942 CG MET A 72 -6.658 11.998 -5.384 1.00 0.00 C ATOM 943 SD MET A 72 -5.286 13.163 -5.481 1.00 0.00 S ATOM 944 CE MET A 72 -5.957 14.386 -6.605 1.00 0.00 C ATOM 0 H MET A 72 -7.610 10.817 -2.785 1.00 0.00 H new ATOM 0 HA MET A 72 -7.154 13.727 -3.087 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.754 11.954 -4.951 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.118 13.558 -5.259 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.353 11.132 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.895 11.637 -6.385 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.141 14.904 -7.108 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.586 13.893 -7.346 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.554 15.106 -6.045 1.00 0.00 H new ATOM 954 N ALA A 73 -9.757 12.083 -2.079 1.00 0.00 N ATOM 955 CA ALA A 73 -11.075 12.207 -1.468 1.00 0.00 C ATOM 956 C ALA A 73 -11.168 11.381 -0.190 1.00 0.00 C ATOM 957 O ALA A 73 -10.597 10.295 -0.081 1.00 0.00 O ATOM 958 CB ALA A 73 -12.154 11.782 -2.453 1.00 0.00 C ATOM 0 H ALA A 73 -9.350 11.150 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.230 13.253 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.133 11.879 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.110 12.418 -3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.993 10.744 -2.744 1.00 0.00 H new ATOM 964 N PRO A 74 -11.902 11.905 0.803 1.00 0.00 N ATOM 965 CA PRO A 74 -12.086 11.232 2.092 1.00 0.00 C ATOM 966 C PRO A 74 -12.955 9.985 1.976 1.00 0.00 C ATOM 967 O PRO A 74 -14.109 10.057 1.556 1.00 0.00 O ATOM 968 CB PRO A 74 -12.783 12.292 2.949 1.00 0.00 C ATOM 969 CG PRO A 74 -13.478 13.174 1.970 1.00 0.00 C ATOM 970 CD PRO A 74 -12.609 13.195 0.742 1.00 0.00 C ATOM 0 HA PRO A 74 -11.141 10.882 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.490 11.838 3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.065 12.853 3.547 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.472 12.792 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.608 14.178 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.202 13.286 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.915 14.035 0.755 1.00 0.00 H new ATOM 978 N GLY A 75 -12.393 8.840 2.351 1.00 0.00 N ATOM 979 CA GLY A 75 -13.132 7.593 2.282 1.00 0.00 C ATOM 980 C GLY A 75 -12.303 6.403 2.724 1.00 0.00 C ATOM 981 O GLY A 75 -11.254 6.565 3.345 1.00 0.00 O ATOM 0 H GLY A 75 -11.439 8.754 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.021 7.666 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.475 7.433 1.260 1.00 0.00 H new ATOM 985 N ASN A 76 -12.777 5.203 2.405 1.00 0.00 N ATOM 986 CA ASN A 76 -12.074 3.980 2.775 1.00 0.00 C ATOM 987 C ASN A 76 -11.371 3.369 1.566 1.00 0.00 C ATOM 988 O ASN A 76 -12.014 2.806 0.680 1.00 0.00 O ATOM 989 CB ASN A 76 -13.050 2.967 3.376 1.00 0.00 C ATOM 990 CG ASN A 76 -14.292 2.786 2.525 1.00 0.00 C ATOM 991 OD1 ASN A 76 -14.343 1.911 1.661 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.301 3.615 2.767 1.00 0.00 N ATOM 0 H ASN A 76 -13.645 5.051 1.891 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.321 4.236 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.548 2.006 3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.341 3.295 4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.163 3.541 2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.214 4.326 3.494 1.00 0.00 H new ATOM 999 N TYR A 77 -10.048 3.484 1.538 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.257 2.946 0.438 1.00 0.00 C ATOM 1001 C TYR A 77 -8.754 1.543 0.764 1.00 0.00 C ATOM 1002 O TYR A 77 -8.085 1.330 1.777 1.00 0.00 O ATOM 1003 CB TYR A 77 -8.073 3.866 0.135 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.480 5.218 -0.407 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.904 6.230 0.446 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.443 5.482 -1.770 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -9.277 7.467 -0.044 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.813 6.716 -2.268 1.00 0.00 C ATOM 1009 CZ TYR A 77 -9.230 7.705 -1.402 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.601 8.935 -1.894 1.00 0.00 O ATOM 0 H TYR A 77 -9.501 3.945 2.265 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.898 2.888 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.492 4.009 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.419 3.377 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.943 6.047 1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.120 4.709 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.603 8.243 0.632 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.776 6.906 -3.331 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.245 9.351 -1.284 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.081 0.589 -0.100 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.663 -0.796 0.094 1.00 0.00 C ATOM 1022 C LEU A 78 -7.238 -1.009 -0.408 1.00 0.00 C ATOM 1023 O LEU A 78 -6.951 -0.820 -1.590 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.619 -1.744 -0.632 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.632 -3.191 -0.137 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.264 -3.830 -0.319 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.062 -3.252 1.321 1.00 0.00 C ATOM 0 H LEU A 78 -9.634 0.748 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.689 -1.012 1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.629 -1.343 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.363 -1.746 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.354 -3.752 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.293 -4.859 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.996 -3.820 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.522 -3.269 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.065 -4.289 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.365 -2.676 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.064 -2.834 1.423 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.351 -1.407 0.498 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.957 -1.650 0.147 1.00 0.00 C ATOM 1041 C ILE A 79 -4.660 -3.144 0.079 1.00 0.00 C ATOM 1042 O ILE A 79 -4.486 -3.799 1.106 1.00 0.00 O ATOM 1043 CB ILE A 79 -3.999 -0.992 1.157 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.244 0.517 1.218 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.554 -1.285 0.784 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.775 1.154 2.507 1.00 0.00 C ATOM 0 H ILE A 79 -6.573 -1.568 1.480 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.797 -1.205 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.191 -1.412 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.735 0.994 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.310 0.709 1.094 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.889 -0.813 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.389 -2.362 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.348 -0.890 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.981 2.224 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.303 0.704 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.703 0.993 2.623 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.600 -3.675 -1.137 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.320 -5.091 -1.340 1.00 0.00 C ATOM 1060 C ALA A 80 -2.819 -5.345 -1.433 1.00 0.00 C ATOM 1061 O ALA A 80 -2.132 -4.758 -2.269 1.00 0.00 O ATOM 1062 CB ALA A 80 -5.022 -5.595 -2.592 1.00 0.00 C ATOM 0 H ALA A 80 -4.742 -3.146 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.702 -5.639 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.803 -6.654 -2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.098 -5.457 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.668 -5.035 -3.458 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.318 -6.223 -0.571 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.898 -6.555 -0.558 1.00 0.00 C ATOM 1070 C ILE A 81 -0.684 -8.060 -0.670 1.00 0.00 C ATOM 1071 O ILE A 81 -1.198 -8.834 0.138 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.213 -6.045 0.724 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.363 -4.526 0.839 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.256 -6.440 0.732 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.171 -4.005 2.245 1.00 0.00 C ATOM 0 H ILE A 81 -2.873 -6.717 0.127 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.451 -6.062 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.698 -6.505 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.361 -4.047 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.354 -4.239 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.727 -6.073 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.341 -7.526 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.755 -6.005 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.291 -2.922 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.912 -4.456 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.829 -4.261 2.594 1.00 0.00 H new ATOM 1087 N LYS A 82 0.079 -8.470 -1.678 1.00 0.00 N ATOM 1088 CA LYS A 82 0.365 -9.883 -1.896 1.00 0.00 C ATOM 1089 C LYS A 82 1.869 -10.132 -1.949 1.00 0.00 C ATOM 1090 O LYS A 82 2.659 -9.195 -2.066 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.288 -10.362 -3.194 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.795 -10.173 -3.223 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.438 -10.983 -4.336 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.791 -10.412 -4.730 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.108 -10.674 -6.162 1.00 0.00 N ATOM 0 H LYS A 82 0.511 -7.843 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.049 -10.445 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.153 -9.824 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.060 -11.418 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.218 -10.471 -2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.027 -9.117 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.780 -10.996 -5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.558 -12.017 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.567 -10.848 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.799 -9.338 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.038 -10.269 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.382 -10.236 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.126 -11.700 -6.332 1.00 0.00 H new ATOM 1109 N TYR A 83 2.258 -11.399 -1.865 1.00 0.00 N ATOM 1110 CA TYR A 83 3.667 -11.771 -1.903 1.00 0.00 C ATOM 1111 C TYR A 83 3.830 -13.285 -1.995 1.00 0.00 C ATOM 1112 O TYR A 83 3.466 -14.016 -1.075 1.00 0.00 O ATOM 1113 CB TYR A 83 4.389 -11.244 -0.662 1.00 0.00 C ATOM 1114 CG TYR A 83 5.896 -11.265 -0.782 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.586 -10.179 -1.306 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.630 -12.371 -0.371 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.963 -10.195 -1.419 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.007 -12.395 -0.479 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.669 -11.305 -1.004 1.00 0.00 C ATOM 1120 OH TYR A 83 10.040 -11.324 -1.113 1.00 0.00 O ATOM 0 H TYR A 83 1.617 -12.186 -1.770 1.00 0.00 H new ATOM 0 HA TYR A 83 4.110 -11.322 -2.792 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.063 -10.222 -0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.093 -11.841 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.037 -9.308 -1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.115 -13.227 0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.484 -9.343 -1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.562 -13.263 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 83 10.383 -12.178 -0.776 1.00 0.00 H new ATOM 1130 N GLY A 84 4.379 -13.748 -3.114 1.00 0.00 N ATOM 1131 CA GLY A 84 4.581 -15.172 -3.307 1.00 0.00 C ATOM 1132 C GLY A 84 3.277 -15.944 -3.336 1.00 0.00 C ATOM 1133 O GLY A 84 3.138 -16.967 -2.666 1.00 0.00 O ATOM 0 H GLY A 84 4.687 -13.162 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.118 -15.336 -4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.211 -15.558 -2.506 1.00 0.00 H new ATOM 1137 N GLY A 85 2.317 -15.452 -4.113 1.00 0.00 N ATOM 1138 CA GLY A 85 1.029 -16.114 -4.211 1.00 0.00 C ATOM 1139 C GLY A 85 -0.078 -15.168 -4.631 1.00 0.00 C ATOM 1140 O GLY A 85 -0.087 -13.991 -4.273 1.00 0.00 O ATOM 0 H GLY A 85 2.408 -14.607 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.097 -16.930 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.778 -16.558 -3.248 1.00 0.00 H new ATOM 1144 N PRO A 86 -1.039 -15.686 -5.411 1.00 0.00 N ATOM 1145 CA PRO A 86 -2.174 -14.896 -5.898 1.00 0.00 C ATOM 1146 C PRO A 86 -3.144 -14.525 -4.781 1.00 0.00 C ATOM 1147 O PRO A 86 -4.101 -13.783 -5.001 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.850 -15.830 -6.905 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.472 -17.201 -6.462 1.00 0.00 C ATOM 1150 CD PRO A 86 -1.092 -17.082 -5.876 1.00 0.00 C ATOM 0 HA PRO A 86 -1.855 -13.945 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.932 -15.698 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.506 -15.633 -7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.178 -17.581 -5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.481 -17.898 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.941 -17.785 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.321 -17.288 -6.618 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.889 -15.045 -3.585 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.741 -14.767 -2.435 1.00 0.00 C ATOM 1160 C GLN A 87 -3.161 -13.638 -1.588 1.00 0.00 C ATOM 1161 O GLN A 87 -1.981 -13.306 -1.702 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.908 -16.026 -1.582 1.00 0.00 C ATOM 1163 CG GLN A 87 -2.659 -16.404 -0.803 1.00 0.00 C ATOM 1164 CD GLN A 87 -2.559 -17.894 -0.547 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -1.587 -18.540 -0.941 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -3.567 -18.450 0.115 1.00 0.00 N ATOM 0 H GLN A 87 -2.100 -15.661 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.718 -14.454 -2.805 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.730 -15.874 -0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.189 -16.858 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.778 -16.074 -1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.656 -15.875 0.150 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.353 -17.877 0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.556 -19.450 0.316 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.999 -13.052 -0.739 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.570 -11.960 0.127 1.00 0.00 C ATOM 1177 C HIS A 88 -2.654 -12.473 1.235 1.00 0.00 C ATOM 1178 O HIS A 88 -2.710 -13.646 1.605 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.783 -11.257 0.737 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.578 -10.466 -0.255 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.827 -9.117 -0.115 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -6.181 -10.841 -1.407 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.549 -8.696 -1.138 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.777 -9.723 -1.937 1.00 0.00 N ATOM 0 H HIS A 88 -4.979 -13.315 -0.632 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.013 -11.246 -0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.431 -12.003 1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.446 -10.593 1.532 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.192 -11.834 -1.831 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.894 -7.685 -1.294 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.309 -9.691 -2.806 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.813 -11.587 1.758 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.887 -11.951 2.823 1.00 0.00 C ATOM 1195 C ILE A 89 -1.569 -11.905 4.186 1.00 0.00 C ATOM 1196 O ILE A 89 -2.672 -11.375 4.322 1.00 0.00 O ATOM 1197 CB ILE A 89 0.340 -11.021 2.844 1.00 0.00 C ATOM 1198 CG1 ILE A 89 -0.088 -9.583 3.145 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.081 -11.091 1.517 1.00 0.00 C ATOM 1200 CD1 ILE A 89 0.978 -8.770 3.846 1.00 0.00 C ATOM 0 H ILE A 89 -1.754 -10.613 1.462 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.558 -12.970 2.619 1.00 0.00 H new ATOM 0 HB ILE A 89 1.015 -11.353 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.355 -9.089 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.985 -9.601 3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.946 -10.428 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.414 -12.114 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.415 -10.781 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.606 -7.762 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.229 -9.241 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.869 -8.721 3.220 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.905 -12.461 5.194 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.446 -12.481 6.547 1.00 0.00 C ATOM 1214 C VAL A 90 -1.795 -11.074 7.020 1.00 0.00 C ATOM 1215 O VAL A 90 -0.917 -10.227 7.183 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.452 -13.112 7.540 1.00 0.00 C ATOM 1217 CG1 VAL A 90 0.887 -12.392 7.486 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -1.021 -13.091 8.950 1.00 0.00 C ATOM 0 H VAL A 90 0.009 -12.904 5.099 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.352 -13.087 6.517 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.290 -14.151 7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.576 -12.852 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.299 -12.465 6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.747 -11.343 7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.305 -13.541 9.638 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.214 -12.061 9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.953 -13.656 8.975 1.00 0.00 H new ATOM 1228 N GLY A 91 -3.084 -10.832 7.240 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.527 -9.526 7.692 1.00 0.00 C ATOM 1230 C GLY A 91 -4.345 -8.796 6.646 1.00 0.00 C ATOM 1231 O GLY A 91 -5.353 -8.167 6.964 1.00 0.00 O ATOM 0 H GLY A 91 -3.829 -11.517 7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.122 -9.641 8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.658 -8.922 7.955 1.00 0.00 H new ATOM 1235 N SER A 92 -3.909 -8.879 5.393 1.00 0.00 N ATOM 1236 CA SER A 92 -4.605 -8.216 4.296 1.00 0.00 C ATOM 1237 C SER A 92 -5.956 -8.875 4.033 1.00 0.00 C ATOM 1238 O SER A 92 -6.202 -10.020 4.414 1.00 0.00 O ATOM 1239 CB SER A 92 -3.752 -8.252 3.026 1.00 0.00 C ATOM 1240 OG SER A 92 -2.891 -7.129 2.958 1.00 0.00 O ATOM 0 H SER A 92 -3.077 -9.399 5.112 1.00 0.00 H new ATOM 0 HA SER A 92 -4.775 -7.178 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.162 -9.168 3.006 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.400 -8.271 2.150 1.00 0.00 H new ATOM 0 HG SER A 92 -2.923 -6.640 3.807 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.854 -8.135 3.366 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.573 -6.771 2.908 1.00 0.00 C ATOM 1248 C PRO A 93 -6.470 -5.781 4.064 1.00 0.00 C ATOM 1249 O PRO A 93 -6.781 -6.113 5.208 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.777 -6.438 2.025 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.874 -7.307 2.536 1.00 0.00 C ATOM 1252 CD PRO A 93 -8.214 -8.573 3.008 1.00 0.00 C ATOM 0 HA PRO A 93 -5.616 -6.704 2.390 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.041 -5.383 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.567 -6.642 0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.411 -6.820 3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.603 -7.516 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.736 -9.004 3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.199 -9.334 2.227 1.00 0.00 H new ATOM 1260 N PHE A 94 -6.032 -4.565 3.758 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.888 -3.527 4.772 1.00 0.00 C ATOM 1262 C PHE A 94 -6.750 -2.314 4.434 1.00 0.00 C ATOM 1263 O PHE A 94 -6.529 -1.641 3.427 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.423 -3.106 4.897 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.554 -4.144 5.547 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.580 -4.327 6.920 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.712 -4.938 4.785 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.781 -5.281 7.521 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.911 -5.895 5.381 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.947 -6.067 6.750 1.00 0.00 C ATOM 0 H PHE A 94 -5.771 -4.274 2.816 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.224 -3.936 5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.031 -2.885 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.367 -2.183 5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.232 -3.717 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.681 -4.808 3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.809 -5.412 8.593 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.258 -6.507 4.776 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.324 -6.815 7.218 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.735 -2.040 5.284 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.631 -0.909 5.078 1.00 0.00 C ATOM 1282 C LYS A 95 -8.018 0.377 5.622 1.00 0.00 C ATOM 1283 O LYS A 95 -7.600 0.436 6.778 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.979 -1.170 5.756 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.109 -0.314 5.211 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.453 -1.008 5.355 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.685 -2.011 4.235 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.295 -1.372 3.036 1.00 0.00 N ATOM 0 H LYS A 95 -7.932 -2.587 6.122 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.787 -0.791 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.240 -2.221 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.880 -0.988 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.132 0.639 5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.924 -0.092 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.499 -1.518 6.317 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.250 -0.265 5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.737 -2.472 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.336 -2.810 4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.437 -2.088 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.212 -0.954 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.663 -0.627 2.680 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.967 1.405 4.781 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.408 2.691 5.179 1.00 0.00 C ATOM 1304 C ALA A 96 -8.463 3.790 5.122 1.00 0.00 C ATOM 1305 O ALA A 96 -8.873 4.216 4.042 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.223 3.048 4.294 1.00 0.00 C ATOM 0 H ALA A 96 -8.306 1.372 3.820 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.065 2.606 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.815 4.011 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.454 2.281 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.549 3.108 3.256 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.901 4.246 6.291 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.908 5.296 6.375 1.00 0.00 C ATOM 1314 C LYS A 97 -9.255 6.673 6.436 1.00 0.00 C ATOM 1315 O LYS A 97 -8.648 7.039 7.442 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.794 5.085 7.605 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.728 6.248 7.889 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.676 5.936 9.035 1.00 0.00 C ATOM 1319 CE LYS A 97 -12.008 6.149 10.384 1.00 0.00 C ATOM 1320 NZ LYS A 97 -11.888 7.594 10.722 1.00 0.00 N ATOM 0 H LYS A 97 -8.573 3.904 7.194 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.525 5.245 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -11.386 4.181 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.159 4.919 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.143 7.135 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.303 6.481 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.559 6.570 8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.017 4.904 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.584 5.642 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.017 5.695 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.603 7.695 11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.172 8.035 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.805 8.062 10.576 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.385 7.433 5.353 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.810 8.771 5.284 1.00 0.00 C ATOM 1336 C VAL A 98 -9.849 9.834 5.623 1.00 0.00 C ATOM 1337 O VAL A 98 -10.986 9.779 5.154 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.230 9.062 3.887 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.633 10.460 3.837 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.191 8.016 3.513 1.00 0.00 C ATOM 0 H VAL A 98 -9.884 7.145 4.511 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.005 8.807 6.018 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.040 9.013 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.228 10.647 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.407 11.194 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.835 10.541 4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.792 8.237 2.523 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.381 8.031 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.654 7.029 3.505 1.00 0.00 H new ATOM 1350 N THR A 99 -9.451 10.804 6.441 1.00 0.00 N ATOM 1351 CA THR A 99 -10.347 11.880 6.844 1.00 0.00 C ATOM 1352 C THR A 99 -9.874 13.222 6.298 1.00 0.00 C ATOM 1353 O THR A 99 -8.696 13.399 5.992 1.00 0.00 O ATOM 1354 CB THR A 99 -10.459 11.973 8.378 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.313 13.063 8.741 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.088 12.164 9.010 1.00 0.00 C ATOM 0 H THR A 99 -8.513 10.866 6.837 1.00 0.00 H new ATOM 0 HA THR A 99 -11.328 11.647 6.429 1.00 0.00 H new ATOM 0 HB THR A 99 -10.885 11.040 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.381 13.115 9.717 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.192 12.227 10.093 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.449 11.318 8.756 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.639 13.084 8.635 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.802 14.167 6.178 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.460 15.482 5.669 1.00 0.00 C ATOM 1366 C GLY A 100 -11.266 15.856 4.440 1.00 0.00 C ATOM 1367 O GLY A 100 -11.965 15.028 3.855 1.00 0.00 O ATOM 0 H GLY A 100 -11.784 14.045 6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.627 16.225 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.398 15.509 5.425 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.173 17.130 4.032 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.893 17.641 2.862 1.00 0.00 C ATOM 1373 C PRO A 101 -11.346 17.080 1.554 1.00 0.00 C ATOM 1374 O PRO A 101 -10.154 16.792 1.442 1.00 0.00 O ATOM 1375 CB PRO A 101 -11.661 19.152 2.934 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.389 19.304 3.694 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.358 18.171 4.682 1.00 0.00 C ATOM 0 HA PRO A 101 -12.945 17.357 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.582 19.588 1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.486 19.656 3.438 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.528 19.263 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.352 20.267 4.203 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.340 17.827 4.868 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.776 18.466 5.645 1.00 0.00 H new