USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 914 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc=-0.00965 X(o=-0.0097,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 81:sc= 0.425 USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00318) USER MOD Single : A 18 THR OG1 : rot 170:sc= -0.721 USER MOD Single : A 21 ASN : amide:sc=-0.00845 X(o=-0.0084,f=-0.36) USER MOD Single : A 23 GLN :FLIP amide:sc= 0.207 F(o=-0.95,f=0.21) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00632 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.06) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.068 (180deg=-0.433) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 170:sc=-0.00758 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0403 (180deg=-0.259) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0222) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.174! X(o=-0.17!,f=0) USER MOD Single : A 75 THR OG1 : rot -50:sc= 1.33 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 40:sc= -0.0384 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0802 X(o=-0.08,f=-0.08) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 97 ASN : amide:sc= 1.06 K(o=1.1,f=-0.042) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc=-0.00449 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 141:sc= 1.03 (180deg=-0.467!) USER MOD Single : A 117 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.017) USER MOD Single : A 118 SER OG : rot 92:sc= 1.18 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.784 8.992 -8.703 1.00 0.00 N ATOM 60 CA GLY A 7 -1.976 10.195 -8.672 1.00 0.00 C ATOM 61 C GLY A 7 -0.507 9.833 -8.468 1.00 0.00 C ATOM 62 O GLY A 7 -0.132 8.658 -8.413 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.097 10.748 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.313 10.849 -7.867 1.00 0.00 H new ATOM 66 N SER A 8 0.324 10.866 -8.352 1.00 0.00 N ATOM 67 CA SER A 8 1.739 10.765 -8.022 1.00 0.00 C ATOM 68 C SER A 8 1.925 10.120 -6.644 1.00 0.00 C ATOM 69 O SER A 8 1.001 10.105 -5.829 1.00 0.00 O ATOM 70 CB SER A 8 2.327 12.179 -8.016 1.00 0.00 C ATOM 71 OG SER A 8 2.125 12.807 -9.272 1.00 0.00 O ATOM 0 H SER A 8 0.018 11.829 -8.490 1.00 0.00 H new ATOM 0 HA SER A 8 2.247 10.142 -8.759 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.860 12.770 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.393 12.135 -7.792 1.00 0.00 H new ATOM 0 HG SER A 8 2.505 13.710 -9.251 1.00 0.00 H new ATOM 77 N ALA A 9 3.144 9.666 -6.343 1.00 0.00 N ATOM 78 CA ALA A 9 3.448 8.972 -5.098 1.00 0.00 C ATOM 79 C ALA A 9 3.052 9.759 -3.851 1.00 0.00 C ATOM 80 O ALA A 9 2.294 9.259 -3.016 1.00 0.00 O ATOM 81 CB ALA A 9 4.925 8.593 -5.052 1.00 0.00 C ATOM 0 H ALA A 9 3.948 9.772 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 9 2.839 8.068 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.139 8.075 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.159 7.938 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.534 9.495 -5.115 1.00 0.00 H new ATOM 87 N LYS A 10 3.533 11.002 -3.715 1.00 0.00 N ATOM 88 CA LYS A 10 3.146 11.828 -2.575 1.00 0.00 C ATOM 89 C LYS A 10 1.634 12.011 -2.525 1.00 0.00 C ATOM 90 O LYS A 10 1.113 12.142 -1.426 1.00 0.00 O ATOM 91 CB LYS A 10 3.815 13.212 -2.588 1.00 0.00 C ATOM 92 CG LYS A 10 5.283 13.207 -2.133 1.00 0.00 C ATOM 93 CD LYS A 10 5.574 14.282 -1.069 1.00 0.00 C ATOM 94 CE LYS A 10 4.873 14.009 0.271 1.00 0.00 C ATOM 95 NZ LYS A 10 5.095 15.093 1.249 1.00 0.00 N ATOM 0 H LYS A 10 4.178 11.447 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 10 3.488 11.295 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.761 13.620 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.249 13.883 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.532 12.225 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.928 13.371 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.650 14.340 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.257 15.254 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.803 13.889 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.238 13.069 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.604 14.865 2.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.114 15.192 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.724 15.986 0.867 1.00 0.00 H new ATOM 109 N ASN A 11 0.922 12.013 -3.655 1.00 0.00 N ATOM 110 CA ASN A 11 -0.513 12.276 -3.648 1.00 0.00 C ATOM 111 C ASN A 11 -1.270 11.250 -2.814 1.00 0.00 C ATOM 112 O ASN A 11 -2.312 11.575 -2.264 1.00 0.00 O ATOM 113 CB ASN A 11 -1.115 12.332 -5.058 1.00 0.00 C ATOM 114 CG ASN A 11 -2.395 13.167 -5.028 1.00 0.00 C ATOM 115 OD1 ASN A 11 -2.327 14.380 -5.222 1.00 0.00 O ATOM 116 ND2 ASN A 11 -3.539 12.590 -4.710 1.00 0.00 N ATOM 0 H ASN A 11 1.316 11.836 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.627 13.261 -3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.399 12.768 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.332 11.325 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.386 13.151 -4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.576 11.583 -4.553 1.00 0.00 H new ATOM 123 N ALA A 12 -0.772 10.016 -2.719 1.00 0.00 N ATOM 124 CA ALA A 12 -1.344 9.034 -1.816 1.00 0.00 C ATOM 125 C ALA A 12 -0.921 9.353 -0.376 1.00 0.00 C ATOM 126 O ALA A 12 -1.774 9.669 0.449 1.00 0.00 O ATOM 127 CB ALA A 12 -0.952 7.629 -2.281 1.00 0.00 C ATOM 0 H ALA A 12 0.026 9.680 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.433 9.073 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.380 6.889 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.330 7.461 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.134 7.535 -2.281 1.00 0.00 H new ATOM 133 N TYR A 13 0.381 9.331 -0.065 1.00 0.00 N ATOM 134 CA TYR A 13 0.856 9.490 1.313 1.00 0.00 C ATOM 135 C TYR A 13 0.397 10.790 1.974 1.00 0.00 C ATOM 136 O TYR A 13 0.005 10.774 3.142 1.00 0.00 O ATOM 137 CB TYR A 13 2.378 9.465 1.370 1.00 0.00 C ATOM 138 CG TYR A 13 2.907 9.788 2.759 1.00 0.00 C ATOM 139 CD1 TYR A 13 2.802 8.849 3.810 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.558 11.016 2.985 1.00 0.00 C ATOM 141 CE1 TYR A 13 3.400 9.121 5.057 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.142 11.292 4.231 1.00 0.00 C ATOM 143 CZ TYR A 13 4.062 10.349 5.276 1.00 0.00 C ATOM 144 OH TYR A 13 4.675 10.616 6.462 1.00 0.00 O ATOM 0 H TYR A 13 1.125 9.204 -0.751 1.00 0.00 H new ATOM 0 HA TYR A 13 0.422 8.651 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.735 8.481 1.067 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.778 10.183 0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.265 7.925 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.608 11.750 2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.352 8.387 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.654 12.229 4.390 1.00 0.00 H new ATOM 0 HH TYR A 13 5.078 11.509 6.428 1.00 0.00 H new ATOM 154 N THR A 14 0.453 11.917 1.263 1.00 0.00 N ATOM 155 CA THR A 14 -0.022 13.183 1.789 1.00 0.00 C ATOM 156 C THR A 14 -1.446 13.033 2.338 1.00 0.00 C ATOM 157 O THR A 14 -1.750 13.665 3.343 1.00 0.00 O ATOM 158 CB THR A 14 0.069 14.265 0.700 1.00 0.00 C ATOM 159 OG1 THR A 14 1.412 14.447 0.280 1.00 0.00 O ATOM 160 CG2 THR A 14 -0.412 15.627 1.191 1.00 0.00 C ATOM 0 H THR A 14 0.827 11.971 0.315 1.00 0.00 H new ATOM 0 HA THR A 14 0.610 13.494 2.620 1.00 0.00 H new ATOM 0 HB THR A 14 -0.565 13.913 -0.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.649 13.752 -0.369 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.327 16.355 0.384 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.453 15.554 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.200 15.947 2.034 1.00 0.00 H new ATOM 168 N LYS A 15 -2.299 12.201 1.731 1.00 0.00 N ATOM 169 CA LYS A 15 -3.720 12.122 2.051 1.00 0.00 C ATOM 170 C LYS A 15 -4.068 10.933 2.949 1.00 0.00 C ATOM 171 O LYS A 15 -5.199 10.819 3.419 1.00 0.00 O ATOM 172 CB LYS A 15 -4.533 12.145 0.744 1.00 0.00 C ATOM 173 CG LYS A 15 -4.159 13.298 -0.200 1.00 0.00 C ATOM 174 CD LYS A 15 -4.252 14.695 0.437 1.00 0.00 C ATOM 175 CE LYS A 15 -3.534 15.691 -0.470 1.00 0.00 C ATOM 176 NZ LYS A 15 -3.471 17.048 0.104 1.00 0.00 N ATOM 0 H LYS A 15 -2.013 11.556 0.994 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.990 12.995 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.390 11.199 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.593 12.217 0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.142 13.142 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.813 13.265 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.295 14.984 0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.798 14.690 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.522 15.336 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.045 15.732 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.944 17.673 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.435 17.416 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.989 17.013 1.025 1.00 0.00 H new ATOM 190 N LEU A 16 -3.092 10.070 3.247 1.00 0.00 N ATOM 191 CA LEU A 16 -3.193 8.943 4.134 1.00 0.00 C ATOM 192 C LEU A 16 -3.267 9.412 5.596 1.00 0.00 C ATOM 193 O LEU A 16 -3.803 8.702 6.445 1.00 0.00 O ATOM 194 CB LEU A 16 -1.917 8.142 3.836 1.00 0.00 C ATOM 195 CG LEU A 16 -1.631 7.025 4.812 1.00 0.00 C ATOM 196 CD1 LEU A 16 -2.684 5.917 4.812 1.00 0.00 C ATOM 197 CD2 LEU A 16 -0.245 6.458 4.504 1.00 0.00 C ATOM 0 H LEU A 16 -2.160 10.159 2.843 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.092 8.345 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.995 7.720 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.068 8.826 3.829 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.665 7.447 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.408 5.153 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.654 6.337 5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.742 5.470 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.020 5.649 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.227 6.075 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.502 7.245 4.609 1.00 0.00 H new ATOM 209 N GLY A 17 -2.709 10.586 5.903 1.00 0.00 N ATOM 210 CA GLY A 17 -2.593 11.155 7.236 1.00 0.00 C ATOM 211 C GLY A 17 -3.234 12.532 7.312 1.00 0.00 C ATOM 212 O GLY A 17 -2.722 13.398 8.021 1.00 0.00 O ATOM 0 H GLY A 17 -2.307 11.191 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.068 10.491 7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.541 11.227 7.512 1.00 0.00 H new ATOM 216 N THR A 18 -4.343 12.737 6.604 1.00 0.00 N ATOM 217 CA THR A 18 -5.170 13.944 6.680 1.00 0.00 C ATOM 218 C THR A 18 -6.639 13.623 6.995 1.00 0.00 C ATOM 219 O THR A 18 -7.492 14.511 6.981 1.00 0.00 O ATOM 220 CB THR A 18 -5.084 14.707 5.359 1.00 0.00 C ATOM 221 OG1 THR A 18 -5.341 13.837 4.282 1.00 0.00 O ATOM 222 CG2 THR A 18 -3.729 15.383 5.146 1.00 0.00 C ATOM 0 H THR A 18 -4.703 12.049 5.942 1.00 0.00 H new ATOM 0 HA THR A 18 -4.785 14.556 7.496 1.00 0.00 H new ATOM 0 HB THR A 18 -5.838 15.493 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.444 14.358 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.731 15.908 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.547 16.095 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.942 14.629 5.144 1.00 0.00 H new ATOM 230 N ASP A 19 -6.961 12.349 7.208 1.00 0.00 N ATOM 231 CA ASP A 19 -8.337 11.856 7.340 1.00 0.00 C ATOM 232 C ASP A 19 -8.574 11.000 8.580 1.00 0.00 C ATOM 233 O ASP A 19 -9.724 10.749 8.939 1.00 0.00 O ATOM 234 CB ASP A 19 -8.710 11.039 6.096 1.00 0.00 C ATOM 235 CG ASP A 19 -10.225 11.000 5.927 1.00 0.00 C ATOM 236 OD1 ASP A 19 -10.808 12.090 5.711 1.00 0.00 O ATOM 237 OD2 ASP A 19 -10.837 9.922 6.066 1.00 0.00 O ATOM 0 H ASP A 19 -6.261 11.613 7.296 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.966 12.740 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.249 11.479 5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.321 10.025 6.188 1.00 0.00 H new ATOM 242 N ASP A 20 -7.482 10.517 9.170 1.00 0.00 N ATOM 243 CA ASP A 20 -7.258 9.554 10.251 1.00 0.00 C ATOM 244 C ASP A 20 -7.902 8.174 10.061 1.00 0.00 C ATOM 245 O ASP A 20 -7.286 7.144 10.355 1.00 0.00 O ATOM 246 CB ASP A 20 -7.522 10.170 11.633 1.00 0.00 C ATOM 247 CG ASP A 20 -6.494 9.686 12.661 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.137 8.485 12.684 1.00 0.00 O ATOM 249 OD2 ASP A 20 -5.950 10.529 13.408 1.00 0.00 O ATOM 0 H ASP A 20 -6.577 10.853 8.840 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.193 9.326 10.197 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.486 11.257 11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.526 9.906 11.966 1.00 0.00 H new ATOM 254 N ASN A 21 -9.105 8.119 9.487 1.00 0.00 N ATOM 255 CA ASN A 21 -9.770 6.887 9.073 1.00 0.00 C ATOM 256 C ASN A 21 -8.986 6.210 7.948 1.00 0.00 C ATOM 257 O ASN A 21 -9.036 4.984 7.834 1.00 0.00 O ATOM 258 CB ASN A 21 -11.211 7.157 8.611 1.00 0.00 C ATOM 259 CG ASN A 21 -12.198 7.353 9.748 1.00 0.00 C ATOM 260 OD1 ASN A 21 -12.191 6.605 10.726 1.00 0.00 O ATOM 261 ND2 ASN A 21 -13.054 8.350 9.640 1.00 0.00 N ATOM 0 H ASN A 21 -9.657 8.954 9.293 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.805 6.224 9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.219 8.046 7.980 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.545 6.324 7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.736 8.519 10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.034 8.952 8.817 1.00 0.00 H new ATOM 268 N ALA A 22 -8.234 6.978 7.157 1.00 0.00 N ATOM 269 CA ALA A 22 -7.440 6.519 6.026 1.00 0.00 C ATOM 270 C ALA A 22 -6.420 5.441 6.438 1.00 0.00 C ATOM 271 O ALA A 22 -5.963 5.380 7.586 1.00 0.00 O ATOM 272 CB ALA A 22 -6.766 7.745 5.410 1.00 0.00 C ATOM 0 H ALA A 22 -8.162 7.986 7.299 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.082 6.039 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.161 7.437 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.528 8.451 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.128 8.222 6.154 1.00 0.00 H new ATOM 278 N GLN A 23 -6.061 4.561 5.498 1.00 0.00 N ATOM 279 CA GLN A 23 -5.294 3.340 5.756 1.00 0.00 C ATOM 280 C GLN A 23 -4.371 2.975 4.585 1.00 0.00 C ATOM 281 O GLN A 23 -4.459 3.572 3.518 1.00 0.00 O ATOM 282 CB GLN A 23 -6.286 2.194 5.984 1.00 0.00 C ATOM 283 CG GLN A 23 -6.876 2.084 7.409 1.00 0.00 C ATOM 284 CD GLN A 23 -6.039 1.210 8.336 1.00 0.00 C ATOM 285 OE1 GLN A 23 -4.775 1.533 8.532 1.00 0.00 O flip ATOM 286 NE2 GLN A 23 -6.507 0.214 8.878 1.00 0.00 N flip ATOM 0 H GLN A 23 -6.302 4.681 4.514 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.664 3.508 6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.109 2.306 5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.787 1.255 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.961 3.082 7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.885 1.676 7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.484 -0.037 8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.919 -0.363 9.479 1.00 0.00 H new ATOM 295 N LEU A 24 -3.485 1.983 4.765 1.00 0.00 N ATOM 296 CA LEU A 24 -2.477 1.587 3.781 1.00 0.00 C ATOM 297 C LEU A 24 -2.409 0.065 3.670 1.00 0.00 C ATOM 298 O LEU A 24 -2.157 -0.625 4.669 1.00 0.00 O ATOM 299 CB LEU A 24 -1.119 2.173 4.183 1.00 0.00 C ATOM 300 CG LEU A 24 -0.087 2.310 3.051 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.295 1.019 2.318 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.539 3.368 2.046 1.00 0.00 C ATOM 0 H LEU A 24 -3.452 1.425 5.618 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.752 1.977 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.285 3.158 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.691 1.546 4.965 1.00 0.00 H new ATOM 0 HG LEU A 24 0.827 2.614 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.028 1.244 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.722 0.310 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.594 0.584 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.201 3.454 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.499 3.077 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.642 4.329 2.551 1.00 0.00 H new ATOM 314 N LEU A 25 -2.677 -0.452 2.474 1.00 0.00 N ATOM 315 CA LEU A 25 -2.675 -1.877 2.153 1.00 0.00 C ATOM 316 C LEU A 25 -1.503 -2.133 1.231 1.00 0.00 C ATOM 317 O LEU A 25 -1.553 -1.888 0.026 1.00 0.00 O ATOM 318 CB LEU A 25 -4.010 -2.368 1.554 1.00 0.00 C ATOM 319 CG LEU A 25 -4.376 -3.841 1.811 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.570 -4.832 0.993 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.225 -4.246 3.264 1.00 0.00 C ATOM 0 H LEU A 25 -2.910 0.132 1.671 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.567 -2.454 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.811 -1.743 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.981 -2.206 0.476 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.422 -3.885 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.889 -5.846 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.730 -4.643 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.511 -4.720 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.498 -5.295 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.190 -4.104 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.878 -3.631 3.883 1.00 0.00 H new ATOM 333 N ASP A 26 -0.411 -2.560 1.841 1.00 0.00 N ATOM 334 CA ASP A 26 0.801 -2.899 1.134 1.00 0.00 C ATOM 335 C ASP A 26 0.571 -4.236 0.429 1.00 0.00 C ATOM 336 O ASP A 26 0.478 -5.272 1.102 1.00 0.00 O ATOM 337 CB ASP A 26 1.921 -2.958 2.167 1.00 0.00 C ATOM 338 CG ASP A 26 3.282 -2.915 1.528 1.00 0.00 C ATOM 339 OD1 ASP A 26 3.475 -3.544 0.477 1.00 0.00 O ATOM 340 OD2 ASP A 26 4.156 -2.235 2.132 1.00 0.00 O ATOM 0 H ASP A 26 -0.345 -2.681 2.852 1.00 0.00 H new ATOM 0 HA ASP A 26 1.076 -2.168 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.819 -2.122 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.825 -3.872 2.754 1.00 0.00 H new ATOM 345 N ILE A 27 0.367 -4.195 -0.895 1.00 0.00 N ATOM 346 CA ILE A 27 0.093 -5.379 -1.704 1.00 0.00 C ATOM 347 C ILE A 27 1.371 -6.039 -2.226 1.00 0.00 C ATOM 348 O ILE A 27 1.263 -6.966 -3.037 1.00 0.00 O ATOM 349 CB ILE A 27 -0.919 -5.130 -2.845 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.473 -4.133 -3.932 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.289 -4.807 -2.239 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.282 -4.295 -5.234 1.00 0.00 C ATOM 0 H ILE A 27 0.389 -3.329 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.385 -6.082 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.986 -6.057 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.587 -3.115 -3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.586 -4.278 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.008 -4.630 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.624 -5.646 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.211 -3.915 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.933 -3.572 -5.971 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.147 -5.304 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.339 -4.124 -5.029 1.00 0.00 H new ATOM 364 N ARG A 28 2.561 -5.558 -1.845 1.00 0.00 N ATOM 365 CA ARG A 28 3.796 -6.100 -2.395 1.00 0.00 C ATOM 366 C ARG A 28 3.985 -7.541 -1.928 1.00 0.00 C ATOM 367 O ARG A 28 3.572 -7.910 -0.822 1.00 0.00 O ATOM 368 CB ARG A 28 5.001 -5.201 -2.050 1.00 0.00 C ATOM 369 CG ARG A 28 4.785 -3.775 -2.593 1.00 0.00 C ATOM 370 CD ARG A 28 6.053 -2.903 -2.685 1.00 0.00 C ATOM 371 NE ARG A 28 6.776 -2.812 -1.417 1.00 0.00 N ATOM 372 CZ ARG A 28 6.330 -2.314 -0.277 1.00 0.00 C ATOM 373 NH1 ARG A 28 5.285 -1.501 -0.267 1.00 0.00 N ATOM 374 NH2 ARG A 28 6.925 -2.629 0.861 1.00 0.00 N ATOM 0 H ARG A 28 2.688 -4.806 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 28 3.728 -6.113 -3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.139 -5.168 -0.969 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.911 -5.624 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.341 -3.846 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.061 -3.268 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.716 -3.314 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.775 -1.901 -3.012 1.00 0.00 H new ATOM 0 HE ARG A 28 7.730 -3.173 -1.412 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.821 -1.257 -1.142 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.944 -1.119 0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.729 -3.257 0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.580 -2.244 1.740 1.00 0.00 H new ATOM 388 N ALA A 29 4.681 -8.329 -2.751 1.00 0.00 N ATOM 389 CA ALA A 29 5.124 -9.684 -2.460 1.00 0.00 C ATOM 390 C ALA A 29 5.762 -9.749 -1.078 1.00 0.00 C ATOM 391 O ALA A 29 6.493 -8.844 -0.682 1.00 0.00 O ATOM 392 CB ALA A 29 6.123 -10.136 -3.529 1.00 0.00 C ATOM 0 H ALA A 29 4.962 -8.020 -3.682 1.00 0.00 H new ATOM 0 HA ALA A 29 4.262 -10.351 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.455 -11.151 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.644 -10.113 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.983 -9.466 -3.530 1.00 0.00 H new ATOM 398 N THR A 30 5.544 -10.841 -0.352 1.00 0.00 N ATOM 399 CA THR A 30 6.080 -11.006 0.990 1.00 0.00 C ATOM 400 C THR A 30 7.619 -10.977 1.010 1.00 0.00 C ATOM 401 O THR A 30 8.211 -10.617 2.026 1.00 0.00 O ATOM 402 CB THR A 30 5.493 -12.270 1.621 1.00 0.00 C ATOM 403 OG1 THR A 30 4.082 -12.279 1.436 1.00 0.00 O ATOM 404 CG2 THR A 30 5.766 -12.339 3.123 1.00 0.00 C ATOM 0 H THR A 30 4.992 -11.634 -0.679 1.00 0.00 H new ATOM 0 HA THR A 30 5.776 -10.155 1.600 1.00 0.00 H new ATOM 0 HB THR A 30 5.966 -13.124 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.705 -13.089 1.838 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.332 -13.252 3.530 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.842 -12.340 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.319 -11.475 3.614 1.00 0.00 H new ATOM 412 N ALA A 31 8.278 -11.282 -0.111 1.00 0.00 N ATOM 413 CA ALA A 31 9.722 -11.150 -0.239 1.00 0.00 C ATOM 414 C ALA A 31 10.202 -9.690 -0.240 1.00 0.00 C ATOM 415 O ALA A 31 11.396 -9.448 -0.066 1.00 0.00 O ATOM 416 CB ALA A 31 10.164 -11.835 -1.529 1.00 0.00 C ATOM 0 H ALA A 31 7.819 -11.628 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 31 10.171 -11.623 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.245 -11.744 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.891 -12.890 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.673 -11.362 -2.379 1.00 0.00 H new ATOM 422 N ASP A 32 9.322 -8.714 -0.471 1.00 0.00 N ATOM 423 CA ASP A 32 9.677 -7.297 -0.524 1.00 0.00 C ATOM 424 C ASP A 32 10.102 -6.812 0.858 1.00 0.00 C ATOM 425 O ASP A 32 11.196 -6.274 1.027 1.00 0.00 O ATOM 426 CB ASP A 32 8.508 -6.471 -1.040 1.00 0.00 C ATOM 427 CG ASP A 32 8.938 -5.026 -1.168 1.00 0.00 C ATOM 428 OD1 ASP A 32 8.869 -4.288 -0.166 1.00 0.00 O ATOM 429 OD2 ASP A 32 9.315 -4.631 -2.290 1.00 0.00 O ATOM 0 H ASP A 32 8.330 -8.889 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 32 10.513 -7.173 -1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.177 -6.851 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.661 -6.552 -0.359 1.00 0.00 H new ATOM 434 N PHE A 33 9.324 -7.159 1.885 1.00 0.00 N ATOM 435 CA PHE A 33 9.588 -6.889 3.302 1.00 0.00 C ATOM 436 C PHE A 33 10.864 -7.571 3.822 1.00 0.00 C ATOM 437 O PHE A 33 11.171 -7.460 5.017 1.00 0.00 O ATOM 438 CB PHE A 33 8.385 -7.337 4.136 1.00 0.00 C ATOM 439 CG PHE A 33 7.058 -6.926 3.537 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.592 -5.612 3.656 1.00 0.00 C ATOM 441 CD2 PHE A 33 6.356 -7.832 2.734 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.418 -5.217 3.001 1.00 0.00 C ATOM 443 CE2 PHE A 33 5.202 -7.433 2.045 1.00 0.00 C ATOM 444 CZ PHE A 33 4.720 -6.123 2.186 1.00 0.00 C ATOM 0 H PHE A 33 8.448 -7.662 1.745 1.00 0.00 H new ATOM 0 HA PHE A 33 9.747 -5.815 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.408 -8.422 4.242 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.469 -6.917 5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.139 -4.899 4.255 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.707 -8.849 2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.048 -4.210 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.685 -8.133 1.406 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.821 -5.814 1.673 1.00 0.00 H new ATOM 454 N ARG A 34 11.571 -8.309 2.955 1.00 0.00 N ATOM 455 CA ARG A 34 12.843 -8.971 3.222 1.00 0.00 C ATOM 456 C ARG A 34 13.981 -8.367 2.404 1.00 0.00 C ATOM 457 O ARG A 34 15.135 -8.450 2.831 1.00 0.00 O ATOM 458 CB ARG A 34 12.755 -10.463 2.874 1.00 0.00 C ATOM 459 CG ARG A 34 11.480 -11.204 3.318 1.00 0.00 C ATOM 460 CD ARG A 34 11.152 -11.099 4.813 1.00 0.00 C ATOM 461 NE ARG A 34 12.287 -11.515 5.654 1.00 0.00 N ATOM 462 CZ ARG A 34 12.620 -12.774 5.953 1.00 0.00 C ATOM 463 NH1 ARG A 34 11.807 -13.784 5.666 1.00 0.00 N ATOM 464 NH2 ARG A 34 13.790 -13.039 6.522 1.00 0.00 N ATOM 0 H ARG A 34 11.249 -8.465 2.000 1.00 0.00 H new ATOM 0 HA ARG A 34 13.049 -8.833 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.849 -10.566 1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.613 -10.967 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.636 -10.815 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.582 -12.258 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.879 -10.072 5.054 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.285 -11.720 5.039 1.00 0.00 H new ATOM 0 HE ARG A 34 12.872 -10.775 6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.912 -13.605 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.077 -14.739 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.438 -12.280 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.041 -14.001 6.749 1.00 0.00 H new ATOM 478 N GLN A 35 13.700 -7.785 1.233 1.00 0.00 N ATOM 479 CA GLN A 35 14.681 -7.082 0.425 1.00 0.00 C ATOM 480 C GLN A 35 14.489 -5.561 0.567 1.00 0.00 C ATOM 481 O GLN A 35 15.211 -4.945 1.351 1.00 0.00 O ATOM 482 CB GLN A 35 14.713 -7.682 -0.990 1.00 0.00 C ATOM 483 CG GLN A 35 13.498 -7.437 -1.892 1.00 0.00 C ATOM 484 CD GLN A 35 13.403 -8.502 -2.977 1.00 0.00 C ATOM 485 OE1 GLN A 35 14.068 -8.410 -4.001 1.00 0.00 O ATOM 486 NE2 GLN A 35 12.658 -9.567 -2.745 1.00 0.00 N ATOM 0 H GLN A 35 12.767 -7.794 0.821 1.00 0.00 H new ATOM 0 HA GLN A 35 15.701 -7.231 0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.594 -7.293 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.849 -8.759 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.588 -7.441 -1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.573 -6.451 -2.350 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.110 -9.629 -1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.631 -10.328 -3.424 1.00 0.00 H new ATOM 495 N VAL A 36 13.479 -4.962 -0.076 1.00 0.00 N ATOM 496 CA VAL A 36 13.211 -3.524 -0.041 1.00 0.00 C ATOM 497 C VAL A 36 12.825 -3.037 1.366 1.00 0.00 C ATOM 498 O VAL A 36 13.479 -2.143 1.913 1.00 0.00 O ATOM 499 CB VAL A 36 12.138 -3.131 -1.076 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.154 -1.606 -1.243 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.352 -3.757 -2.461 1.00 0.00 C ATOM 0 H VAL A 36 12.811 -5.479 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 36 14.141 -3.023 -0.308 1.00 0.00 H new ATOM 0 HB VAL A 36 11.187 -3.503 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.400 -1.312 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.936 -1.133 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.137 -1.288 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.557 -3.434 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.316 -3.439 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.335 -4.844 -2.376 1.00 0.00 H new ATOM 511 N GLY A 37 11.800 -3.622 1.996 1.00 0.00 N ATOM 512 CA GLY A 37 11.397 -3.264 3.351 1.00 0.00 C ATOM 513 C GLY A 37 9.924 -2.937 3.411 1.00 0.00 C ATOM 514 O GLY A 37 9.106 -3.632 2.822 1.00 0.00 O ATOM 0 H GLY A 37 11.230 -4.356 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.618 -4.088 4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.977 -2.407 3.692 1.00 0.00 H new ATOM 518 N SER A 38 9.564 -1.927 4.199 1.00 0.00 N ATOM 519 CA SER A 38 8.208 -1.414 4.189 1.00 0.00 C ATOM 520 C SER A 38 8.228 0.109 4.334 1.00 0.00 C ATOM 521 O SER A 38 9.174 0.627 4.937 1.00 0.00 O ATOM 522 CB SER A 38 7.392 -2.045 5.329 1.00 0.00 C ATOM 523 OG SER A 38 7.866 -3.284 5.834 1.00 0.00 O ATOM 0 H SER A 38 10.193 -1.453 4.847 1.00 0.00 H new ATOM 0 HA SER A 38 7.738 -1.674 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.350 -1.333 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.370 -2.187 4.979 1.00 0.00 H new ATOM 0 HG SER A 38 7.275 -3.592 6.553 1.00 0.00 H new ATOM 529 N PRO A 39 7.179 0.808 3.873 1.00 0.00 N ATOM 530 CA PRO A 39 7.020 2.239 4.079 1.00 0.00 C ATOM 531 C PRO A 39 6.786 2.540 5.562 1.00 0.00 C ATOM 532 O PRO A 39 6.099 1.787 6.265 1.00 0.00 O ATOM 533 CB PRO A 39 5.810 2.621 3.223 1.00 0.00 C ATOM 534 CG PRO A 39 4.966 1.348 3.195 1.00 0.00 C ATOM 535 CD PRO A 39 6.035 0.264 3.151 1.00 0.00 C ATOM 0 HA PRO A 39 7.905 2.809 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.260 3.456 3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.110 2.924 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.331 1.260 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.311 1.311 2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.680 -0.655 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.302 0.019 2.123 1.00 0.00 H new ATOM 543 N ASN A 40 7.331 3.655 6.057 1.00 0.00 N ATOM 544 CA ASN A 40 7.035 4.126 7.410 1.00 0.00 C ATOM 545 C ASN A 40 5.848 5.075 7.335 1.00 0.00 C ATOM 546 O ASN A 40 5.955 6.158 6.779 1.00 0.00 O ATOM 547 CB ASN A 40 8.229 4.816 8.087 1.00 0.00 C ATOM 548 CG ASN A 40 7.766 5.643 9.286 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.862 6.865 9.295 1.00 0.00 O ATOM 550 ND2 ASN A 40 7.214 4.997 10.303 1.00 0.00 N ATOM 0 H ASN A 40 7.980 4.248 5.539 1.00 0.00 H new ATOM 0 HA ASN A 40 6.804 3.258 8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.951 4.067 8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.738 5.460 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.862 5.517 11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.141 3.980 10.282 1.00 0.00 H new ATOM 557 N ILE A 41 4.724 4.683 7.926 1.00 0.00 N ATOM 558 CA ILE A 41 3.541 5.538 8.063 1.00 0.00 C ATOM 559 C ILE A 41 3.024 5.527 9.505 1.00 0.00 C ATOM 560 O ILE A 41 1.956 6.064 9.780 1.00 0.00 O ATOM 561 CB ILE A 41 2.474 5.113 7.032 1.00 0.00 C ATOM 562 CG1 ILE A 41 1.926 3.687 7.304 1.00 0.00 C ATOM 563 CG2 ILE A 41 3.043 5.248 5.602 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.394 3.644 7.282 1.00 0.00 C ATOM 0 H ILE A 41 4.603 3.754 8.329 1.00 0.00 H new ATOM 0 HA ILE A 41 3.806 6.573 7.848 1.00 0.00 H new ATOM 0 HB ILE A 41 1.621 5.784 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.318 2.999 6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.284 3.340 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.285 4.947 4.879 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.327 6.285 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.919 4.608 5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.056 2.626 7.477 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.000 4.311 8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.035 3.964 6.304 1.00 0.00 H new ATOM 576 N LYS A 42 3.742 4.864 10.424 1.00 0.00 N ATOM 577 CA LYS A 42 3.236 4.574 11.759 1.00 0.00 C ATOM 578 C LYS A 42 2.907 5.862 12.499 1.00 0.00 C ATOM 579 O LYS A 42 1.859 5.943 13.140 1.00 0.00 O ATOM 580 CB LYS A 42 4.209 3.651 12.506 1.00 0.00 C ATOM 581 CG LYS A 42 3.521 2.829 13.611 1.00 0.00 C ATOM 582 CD LYS A 42 3.453 3.563 14.953 1.00 0.00 C ATOM 583 CE LYS A 42 4.788 3.551 15.685 1.00 0.00 C ATOM 584 NZ LYS A 42 4.940 2.342 16.511 1.00 0.00 N ATOM 0 H LYS A 42 4.687 4.518 10.256 1.00 0.00 H new ATOM 0 HA LYS A 42 2.295 4.028 11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.679 2.973 11.794 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.005 4.251 12.948 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.510 2.576 13.291 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.058 1.890 13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.142 4.594 14.786 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.692 3.099 15.581 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.601 3.603 14.961 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.866 4.436 16.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.860 2.366 16.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.177 2.306 17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.890 1.499 15.904 1.00 0.00 H new ATOM 598 N GLY A 43 3.738 6.890 12.333 1.00 0.00 N ATOM 599 CA GLY A 43 3.497 8.188 12.924 1.00 0.00 C ATOM 600 C GLY A 43 2.170 8.823 12.505 1.00 0.00 C ATOM 601 O GLY A 43 1.671 9.647 13.267 1.00 0.00 O ATOM 0 H GLY A 43 4.595 6.837 11.783 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.515 8.091 14.010 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.312 8.858 12.650 1.00 0.00 H new ATOM 605 N LEU A 44 1.589 8.476 11.348 1.00 0.00 N ATOM 606 CA LEU A 44 0.297 9.026 10.927 1.00 0.00 C ATOM 607 C LEU A 44 -0.854 8.481 11.774 1.00 0.00 C ATOM 608 O LEU A 44 -1.897 9.131 11.846 1.00 0.00 O ATOM 609 CB LEU A 44 -0.006 8.726 9.443 1.00 0.00 C ATOM 610 CG LEU A 44 1.039 9.210 8.428 1.00 0.00 C ATOM 611 CD1 LEU A 44 0.521 8.887 7.026 1.00 0.00 C ATOM 612 CD2 LEU A 44 1.325 10.711 8.550 1.00 0.00 C ATOM 0 H LEU A 44 1.996 7.815 10.687 1.00 0.00 H new ATOM 0 HA LEU A 44 0.376 10.104 11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.122 7.648 9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.965 9.179 9.190 1.00 0.00 H new ATOM 0 HG LEU A 44 1.981 8.698 8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.246 9.221 6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.375 7.811 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.428 9.398 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.071 11.001 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.406 11.272 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.702 10.930 9.549 1.00 0.00 H new ATOM 624 N GLY A 45 -0.708 7.296 12.378 1.00 0.00 N ATOM 625 CA GLY A 45 -1.778 6.681 13.155 1.00 0.00 C ATOM 626 C GLY A 45 -1.692 5.183 13.324 1.00 0.00 C ATOM 627 O GLY A 45 -2.376 4.669 14.207 1.00 0.00 O ATOM 0 H GLY A 45 0.149 6.744 12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.792 7.139 14.144 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.729 6.920 12.680 1.00 0.00 H new ATOM 631 N LYS A 46 -0.939 4.476 12.477 1.00 0.00 N ATOM 632 CA LYS A 46 -0.898 3.020 12.440 1.00 0.00 C ATOM 633 C LYS A 46 0.086 2.577 11.368 1.00 0.00 C ATOM 634 O LYS A 46 0.456 3.346 10.484 1.00 0.00 O ATOM 635 CB LYS A 46 -2.295 2.416 12.186 1.00 0.00 C ATOM 636 CG LYS A 46 -2.918 2.644 10.803 1.00 0.00 C ATOM 637 CD LYS A 46 -2.875 4.020 10.141 1.00 0.00 C ATOM 638 CE LYS A 46 -3.762 5.056 10.842 1.00 0.00 C ATOM 639 NZ LYS A 46 -5.133 5.161 10.291 1.00 0.00 N ATOM 0 H LYS A 46 -0.330 4.913 11.785 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.568 2.655 13.413 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.234 1.341 12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.978 2.818 12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.440 1.944 10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.967 2.355 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.846 4.379 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.189 3.926 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.827 4.804 11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.281 6.032 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.585 6.027 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.088 5.196 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.690 4.333 10.585 1.00 0.00 H new ATOM 653 N LYS A 47 0.550 1.338 11.455 1.00 0.00 N ATOM 654 CA LYS A 47 1.430 0.744 10.455 1.00 0.00 C ATOM 655 C LYS A 47 0.601 0.414 9.214 1.00 0.00 C ATOM 656 O LYS A 47 -0.612 0.226 9.311 1.00 0.00 O ATOM 657 CB LYS A 47 2.076 -0.527 11.032 1.00 0.00 C ATOM 658 CG LYS A 47 3.400 -0.894 10.347 1.00 0.00 C ATOM 659 CD LYS A 47 4.616 -0.137 10.915 1.00 0.00 C ATOM 660 CE LYS A 47 5.570 -1.021 11.735 1.00 0.00 C ATOM 661 NZ LYS A 47 6.108 -2.156 10.951 1.00 0.00 N ATOM 0 H LYS A 47 0.325 0.711 12.227 1.00 0.00 H new ATOM 0 HA LYS A 47 2.224 1.439 10.183 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.253 -0.386 12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.379 -1.359 10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.569 -1.966 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.318 -0.686 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.170 0.312 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.262 0.680 11.544 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.397 -0.413 12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.043 -1.405 12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.017 -2.458 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.435 -2.949 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.250 -1.860 9.964 1.00 0.00 H new ATOM 675 N ALA A 48 1.249 0.280 8.056 1.00 0.00 N ATOM 676 CA ALA A 48 0.633 -0.344 6.896 1.00 0.00 C ATOM 677 C ALA A 48 0.330 -1.811 7.221 1.00 0.00 C ATOM 678 O ALA A 48 1.106 -2.469 7.922 1.00 0.00 O ATOM 679 CB ALA A 48 1.572 -0.231 5.691 1.00 0.00 C ATOM 0 H ALA A 48 2.205 0.599 7.901 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.300 0.161 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.108 -0.699 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.764 0.820 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.513 -0.733 5.915 1.00 0.00 H new ATOM 685 N VAL A 49 -0.792 -2.313 6.712 1.00 0.00 N ATOM 686 CA VAL A 49 -1.073 -3.746 6.628 1.00 0.00 C ATOM 687 C VAL A 49 -0.137 -4.323 5.552 1.00 0.00 C ATOM 688 O VAL A 49 0.447 -3.564 4.775 1.00 0.00 O ATOM 689 CB VAL A 49 -2.577 -3.935 6.314 1.00 0.00 C ATOM 690 CG1 VAL A 49 -2.987 -5.394 6.058 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.448 -3.428 7.479 1.00 0.00 C ATOM 0 H VAL A 49 -1.542 -1.730 6.341 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.884 -4.278 7.560 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.738 -3.361 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.055 -5.440 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.431 -5.784 5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.766 -5.994 6.941 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.501 -3.571 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.206 -3.986 8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.255 -2.368 7.643 1.00 0.00 H new ATOM 701 N SER A 50 0.014 -5.647 5.498 1.00 0.00 N ATOM 702 CA SER A 50 0.889 -6.327 4.561 1.00 0.00 C ATOM 703 C SER A 50 0.233 -7.627 4.096 1.00 0.00 C ATOM 704 O SER A 50 0.123 -8.609 4.837 1.00 0.00 O ATOM 705 CB SER A 50 2.252 -6.521 5.222 1.00 0.00 C ATOM 706 OG SER A 50 2.155 -7.003 6.559 1.00 0.00 O ATOM 0 H SER A 50 -0.482 -6.284 6.121 1.00 0.00 H new ATOM 0 HA SER A 50 1.051 -5.735 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.841 -7.222 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.789 -5.573 5.221 1.00 0.00 H new ATOM 0 HG SER A 50 3.054 -7.111 6.934 1.00 0.00 H new ATOM 712 N THR A 51 -0.297 -7.630 2.879 1.00 0.00 N ATOM 713 CA THR A 51 -1.034 -8.750 2.316 1.00 0.00 C ATOM 714 C THR A 51 -0.782 -8.670 0.819 1.00 0.00 C ATOM 715 O THR A 51 -1.332 -7.784 0.172 1.00 0.00 O ATOM 716 CB THR A 51 -2.521 -8.605 2.693 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.662 -8.665 4.106 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.407 -9.688 2.078 1.00 0.00 C ATOM 0 H THR A 51 -0.224 -6.835 2.244 1.00 0.00 H new ATOM 0 HA THR A 51 -0.723 -9.725 2.691 1.00 0.00 H new ATOM 0 HB THR A 51 -2.847 -7.643 2.298 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.576 -8.414 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.441 -9.528 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.337 -9.641 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.075 -10.668 2.421 1.00 0.00 H new ATOM 726 N VAL A 52 0.107 -9.515 0.291 1.00 0.00 N ATOM 727 CA VAL A 52 0.405 -9.532 -1.133 1.00 0.00 C ATOM 728 C VAL A 52 -0.901 -9.724 -1.912 1.00 0.00 C ATOM 729 O VAL A 52 -1.669 -10.640 -1.609 1.00 0.00 O ATOM 730 CB VAL A 52 1.510 -10.561 -1.462 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.343 -11.939 -0.814 1.00 0.00 C ATOM 732 CG2 VAL A 52 1.673 -10.743 -2.975 1.00 0.00 C ATOM 0 H VAL A 52 0.633 -10.198 0.837 1.00 0.00 H new ATOM 0 HA VAL A 52 0.824 -8.577 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 52 2.406 -10.121 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.171 -12.583 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.336 -11.833 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.403 -12.383 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.458 -11.473 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.734 -11.096 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.943 -9.790 -3.429 1.00 0.00 H new ATOM 742 N TYR A 53 -1.182 -8.854 -2.890 1.00 0.00 N ATOM 743 CA TYR A 53 -2.343 -9.065 -3.746 1.00 0.00 C ATOM 744 C TYR A 53 -2.073 -10.271 -4.628 1.00 0.00 C ATOM 745 O TYR A 53 -1.001 -10.394 -5.235 1.00 0.00 O ATOM 746 CB TYR A 53 -2.731 -7.830 -4.570 1.00 0.00 C ATOM 747 CG TYR A 53 -3.931 -8.053 -5.482 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.197 -8.336 -4.934 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.795 -7.954 -6.879 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.315 -8.507 -5.768 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.897 -8.184 -7.723 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.166 -8.462 -7.169 1.00 0.00 C ATOM 753 OH TYR A 53 -7.232 -8.724 -7.969 1.00 0.00 O ATOM 0 H TYR A 53 -0.634 -8.020 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.208 -9.251 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.950 -7.006 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.877 -7.526 -5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.310 -8.422 -3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.837 -7.699 -7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.290 -8.673 -5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.772 -8.148 -8.795 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.962 -8.650 -8.908 1.00 0.00 H new ATOM 763 N ASN A 54 -3.073 -11.141 -4.715 1.00 0.00 N ATOM 764 CA ASN A 54 -3.051 -12.333 -5.549 1.00 0.00 C ATOM 765 C ASN A 54 -4.364 -12.368 -6.306 1.00 0.00 C ATOM 766 O ASN A 54 -5.356 -12.880 -5.788 1.00 0.00 O ATOM 767 CB ASN A 54 -2.846 -13.611 -4.719 1.00 0.00 C ATOM 768 CG ASN A 54 -1.410 -13.783 -4.258 1.00 0.00 C ATOM 769 OD1 ASN A 54 -1.100 -13.602 -3.087 1.00 0.00 O ATOM 770 ND2 ASN A 54 -0.499 -14.128 -5.150 1.00 0.00 N ATOM 0 H ASN A 54 -3.943 -11.032 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.209 -12.294 -6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.502 -13.584 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.139 -14.477 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.474 -14.246 -4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.768 -14.276 -6.123 1.00 0.00 H new ATOM 777 N GLY A 55 -4.394 -11.795 -7.511 1.00 0.00 N ATOM 778 CA GLY A 55 -5.558 -11.796 -8.390 1.00 0.00 C ATOM 779 C GLY A 55 -6.074 -13.198 -8.708 1.00 0.00 C ATOM 780 O GLY A 55 -7.230 -13.329 -9.104 1.00 0.00 O ATOM 0 H GLY A 55 -3.591 -11.308 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.357 -11.219 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.302 -11.291 -9.321 1.00 0.00 H new ATOM 784 N GLU A 56 -5.260 -14.229 -8.466 1.00 0.00 N ATOM 785 CA GLU A 56 -5.636 -15.634 -8.435 1.00 0.00 C ATOM 786 C GLU A 56 -6.977 -15.859 -7.739 1.00 0.00 C ATOM 787 O GLU A 56 -7.810 -16.596 -8.259 1.00 0.00 O ATOM 788 CB GLU A 56 -4.525 -16.396 -7.694 1.00 0.00 C ATOM 789 CG GLU A 56 -4.768 -17.912 -7.542 1.00 0.00 C ATOM 790 CD GLU A 56 -3.757 -18.571 -6.599 1.00 0.00 C ATOM 791 OE1 GLU A 56 -2.677 -17.986 -6.354 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.035 -19.675 -6.075 1.00 0.00 O ATOM 0 H GLU A 56 -4.267 -14.092 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.751 -15.994 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.585 -16.245 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.405 -15.961 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.777 -18.080 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.711 -18.387 -8.521 1.00 0.00 H new ATOM 799 N ASP A 57 -7.154 -15.309 -6.536 1.00 0.00 N ATOM 800 CA ASP A 57 -8.185 -15.763 -5.612 1.00 0.00 C ATOM 801 C ASP A 57 -8.740 -14.564 -4.862 1.00 0.00 C ATOM 802 O ASP A 57 -8.258 -14.215 -3.786 1.00 0.00 O ATOM 803 CB ASP A 57 -7.589 -16.826 -4.676 1.00 0.00 C ATOM 804 CG ASP A 57 -8.602 -17.462 -3.730 1.00 0.00 C ATOM 805 OD1 ASP A 57 -9.825 -17.327 -3.926 1.00 0.00 O ATOM 806 OD2 ASP A 57 -8.167 -18.201 -2.813 1.00 0.00 O ATOM 0 H ASP A 57 -6.587 -14.540 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.015 -16.228 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.130 -17.609 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.794 -16.370 -4.086 1.00 0.00 H new ATOM 811 N LYS A 58 -9.738 -13.904 -5.459 1.00 0.00 N ATOM 812 CA LYS A 58 -10.377 -12.713 -4.899 1.00 0.00 C ATOM 813 C LYS A 58 -10.732 -12.846 -3.407 1.00 0.00 C ATOM 814 O LYS A 58 -10.244 -12.030 -2.613 1.00 0.00 O ATOM 815 CB LYS A 58 -11.567 -12.258 -5.765 1.00 0.00 C ATOM 816 CG LYS A 58 -11.185 -11.625 -7.120 1.00 0.00 C ATOM 817 CD LYS A 58 -10.786 -10.145 -7.025 1.00 0.00 C ATOM 818 CE LYS A 58 -10.584 -9.463 -8.392 1.00 0.00 C ATOM 819 NZ LYS A 58 -11.847 -9.223 -9.133 1.00 0.00 N ATOM 0 H LYS A 58 -10.129 -14.188 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.632 -11.918 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.211 -13.118 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.155 -11.537 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.357 -12.187 -7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.027 -11.721 -7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.555 -9.606 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.864 -10.064 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.075 -8.511 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.927 -10.082 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.635 -8.763 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.325 -10.130 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.468 -8.608 -8.570 1.00 0.00 H new ATOM 833 N PRO A 59 -11.545 -13.828 -2.974 1.00 0.00 N ATOM 834 CA PRO A 59 -11.854 -14.001 -1.560 1.00 0.00 C ATOM 835 C PRO A 59 -10.591 -14.360 -0.773 1.00 0.00 C ATOM 836 O PRO A 59 -10.376 -13.808 0.305 1.00 0.00 O ATOM 837 CB PRO A 59 -12.921 -15.092 -1.506 1.00 0.00 C ATOM 838 CG PRO A 59 -12.666 -15.908 -2.768 1.00 0.00 C ATOM 839 CD PRO A 59 -12.188 -14.860 -3.770 1.00 0.00 C ATOM 0 HA PRO A 59 -12.226 -13.087 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.825 -15.702 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.926 -14.670 -1.498 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.914 -16.680 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.570 -16.411 -3.112 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.492 -15.293 -4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.023 -14.453 -4.341 1.00 0.00 H new ATOM 847 N GLY A 60 -9.706 -15.190 -1.339 1.00 0.00 N ATOM 848 CA GLY A 60 -8.424 -15.597 -0.773 1.00 0.00 C ATOM 849 C GLY A 60 -7.374 -14.502 -0.663 1.00 0.00 C ATOM 850 O GLY A 60 -6.202 -14.812 -0.465 1.00 0.00 O ATOM 0 H GLY A 60 -9.878 -15.615 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.600 -16.007 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.018 -16.404 -1.383 1.00 0.00 H new ATOM 854 N PHE A 61 -7.760 -13.238 -0.759 1.00 0.00 N ATOM 855 CA PHE A 61 -6.935 -12.088 -0.452 1.00 0.00 C ATOM 856 C PHE A 61 -7.692 -11.243 0.564 1.00 0.00 C ATOM 857 O PHE A 61 -7.182 -10.974 1.654 1.00 0.00 O ATOM 858 CB PHE A 61 -6.646 -11.337 -1.753 1.00 0.00 C ATOM 859 CG PHE A 61 -6.219 -9.898 -1.566 1.00 0.00 C ATOM 860 CD1 PHE A 61 -4.894 -9.597 -1.219 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.144 -8.854 -1.758 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.485 -8.257 -1.136 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.733 -7.514 -1.699 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.391 -7.221 -1.410 1.00 0.00 C ATOM 0 H PHE A 61 -8.698 -12.979 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.973 -12.364 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.864 -11.867 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.540 -11.359 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.192 -10.392 -1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.180 -9.087 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.468 -8.022 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.441 -6.717 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.055 -6.195 -1.398 1.00 0.00 H new ATOM 874 N LEU A 62 -8.954 -10.927 0.254 1.00 0.00 N ATOM 875 CA LEU A 62 -9.871 -10.195 1.123 1.00 0.00 C ATOM 876 C LEU A 62 -9.948 -10.803 2.525 1.00 0.00 C ATOM 877 O LEU A 62 -10.176 -10.073 3.485 1.00 0.00 O ATOM 878 CB LEU A 62 -11.267 -10.141 0.482 1.00 0.00 C ATOM 879 CG LEU A 62 -11.328 -9.271 -0.790 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.609 -9.587 -1.562 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.268 -7.770 -0.468 1.00 0.00 C ATOM 0 H LEU A 62 -9.375 -11.184 -0.639 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.483 -9.182 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.584 -11.154 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.978 -9.754 1.212 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.455 -9.508 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.653 -8.972 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.615 -10.640 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.474 -9.374 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.314 -7.197 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.111 -7.500 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.336 -7.546 0.051 1.00 0.00 H new ATOM 893 N LYS A 63 -9.700 -12.109 2.678 1.00 0.00 N ATOM 894 CA LYS A 63 -9.693 -12.805 3.950 1.00 0.00 C ATOM 895 C LYS A 63 -8.723 -12.205 4.942 1.00 0.00 C ATOM 896 O LYS A 63 -8.918 -12.367 6.139 1.00 0.00 O ATOM 897 CB LYS A 63 -9.517 -14.321 3.767 1.00 0.00 C ATOM 898 CG LYS A 63 -8.383 -14.805 2.845 1.00 0.00 C ATOM 899 CD LYS A 63 -6.989 -14.400 3.312 1.00 0.00 C ATOM 900 CE LYS A 63 -5.875 -15.256 2.691 1.00 0.00 C ATOM 901 NZ LYS A 63 -5.923 -16.686 3.058 1.00 0.00 N ATOM 0 H LYS A 63 -9.493 -12.721 1.889 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.677 -12.662 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.359 -14.761 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.455 -14.723 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.428 -15.891 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.549 -14.409 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.818 -13.353 3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.938 -14.480 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.931 -15.171 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.910 -14.849 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.011 -17.133 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.110 -16.777 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.681 -17.156 2.523 1.00 0.00 H new ATOM 915 N LYS A 64 -7.676 -11.514 4.486 1.00 0.00 N ATOM 916 CA LYS A 64 -6.740 -10.914 5.416 1.00 0.00 C ATOM 917 C LYS A 64 -7.232 -9.561 5.889 1.00 0.00 C ATOM 918 O LYS A 64 -6.852 -9.125 6.971 1.00 0.00 O ATOM 919 CB LYS A 64 -5.347 -10.801 4.791 1.00 0.00 C ATOM 920 CG LYS A 64 -4.601 -12.150 4.815 1.00 0.00 C ATOM 921 CD LYS A 64 -3.349 -12.104 5.705 1.00 0.00 C ATOM 922 CE LYS A 64 -2.776 -13.504 5.968 1.00 0.00 C ATOM 923 NZ LYS A 64 -3.557 -14.255 6.970 1.00 0.00 N ATOM 0 H LYS A 64 -7.464 -11.362 3.500 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.669 -11.566 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.437 -10.453 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.765 -10.054 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.273 -12.929 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.313 -12.423 3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.589 -11.485 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.597 -11.630 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.754 -14.065 5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.745 -13.413 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.130 -15.193 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.557 -13.735 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.535 -14.367 6.635 1.00 0.00 H new ATOM 937 N LEU A 65 -8.025 -8.859 5.080 1.00 0.00 N ATOM 938 CA LEU A 65 -8.457 -7.510 5.396 1.00 0.00 C ATOM 939 C LEU A 65 -9.496 -7.552 6.511 1.00 0.00 C ATOM 940 O LEU A 65 -9.414 -6.736 7.423 1.00 0.00 O ATOM 941 CB LEU A 65 -8.977 -6.779 4.146 1.00 0.00 C ATOM 942 CG LEU A 65 -7.844 -6.289 3.214 1.00 0.00 C ATOM 943 CD1 LEU A 65 -7.338 -7.340 2.217 1.00 0.00 C ATOM 944 CD2 LEU A 65 -8.332 -5.066 2.429 1.00 0.00 C ATOM 0 H LEU A 65 -8.381 -9.213 4.192 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.600 -6.938 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.634 -7.447 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.579 -5.925 4.456 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.003 -6.051 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.545 -6.909 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.949 -8.200 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.160 -7.658 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.537 -4.716 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.203 -5.340 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.603 -4.272 3.124 1.00 0.00 H new ATOM 956 N SER A 66 -10.405 -8.528 6.530 1.00 0.00 N ATOM 957 CA SER A 66 -11.567 -8.525 7.415 1.00 0.00 C ATOM 958 C SER A 66 -11.240 -8.666 8.919 1.00 0.00 C ATOM 959 O SER A 66 -12.145 -8.745 9.748 1.00 0.00 O ATOM 960 CB SER A 66 -12.488 -9.675 6.990 1.00 0.00 C ATOM 961 OG SER A 66 -12.467 -9.929 5.592 1.00 0.00 O ATOM 0 H SER A 66 -10.354 -9.348 5.926 1.00 0.00 H new ATOM 0 HA SER A 66 -12.038 -7.548 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.194 -10.581 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.509 -9.444 7.294 1.00 0.00 H new ATOM 0 HG SER A 66 -13.072 -10.672 5.385 1.00 0.00 H new ATOM 967 N LEU A 67 -9.962 -8.752 9.301 1.00 0.00 N ATOM 968 CA LEU A 67 -9.462 -8.808 10.679 1.00 0.00 C ATOM 969 C LEU A 67 -8.383 -7.745 10.956 1.00 0.00 C ATOM 970 O LEU A 67 -7.801 -7.722 12.039 1.00 0.00 O ATOM 971 CB LEU A 67 -8.942 -10.225 10.986 1.00 0.00 C ATOM 972 CG LEU A 67 -7.784 -10.662 10.063 1.00 0.00 C ATOM 973 CD1 LEU A 67 -6.558 -11.111 10.858 1.00 0.00 C ATOM 974 CD2 LEU A 67 -8.220 -11.792 9.128 1.00 0.00 C ATOM 0 H LEU A 67 -9.205 -8.786 8.618 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.293 -8.580 11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.607 -10.265 12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.763 -10.935 10.889 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.512 -9.788 9.472 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.767 -11.410 10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.206 -10.288 11.480 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.825 -11.956 11.492 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.384 -12.079 8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.537 -12.651 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.050 -11.452 8.508 1.00 0.00 H new ATOM 986 N LYS A 68 -8.073 -6.891 9.977 1.00 0.00 N ATOM 987 CA LYS A 68 -6.950 -5.958 9.995 1.00 0.00 C ATOM 988 C LYS A 68 -7.407 -4.496 10.084 1.00 0.00 C ATOM 989 O LYS A 68 -6.549 -3.618 10.239 1.00 0.00 O ATOM 990 CB LYS A 68 -6.111 -6.199 8.722 1.00 0.00 C ATOM 991 CG LYS A 68 -4.736 -6.844 8.943 1.00 0.00 C ATOM 992 CD LYS A 68 -4.730 -8.236 9.586 1.00 0.00 C ATOM 993 CE LYS A 68 -3.312 -8.814 9.448 1.00 0.00 C ATOM 994 NZ LYS A 68 -3.087 -10.021 10.271 1.00 0.00 N ATOM 0 H LYS A 68 -8.620 -6.830 9.118 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.351 -6.139 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.685 -6.833 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.967 -5.243 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.231 -6.911 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.142 -6.177 9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.016 -8.173 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.456 -8.885 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.127 -9.057 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.587 -8.050 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.099 -10.330 10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.283 -9.802 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.721 -10.781 9.953 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.707 -4.219 9.943 1.00 0.00 N ATOM 1009 CA PHE A 69 -9.271 -2.871 9.890 1.00 0.00 C ATOM 1010 C PHE A 69 -10.386 -2.715 10.921 1.00 0.00 C ATOM 1011 O PHE A 69 -10.851 -3.711 11.488 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.775 -2.548 8.475 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.714 -2.524 7.404 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.139 -3.710 6.919 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.329 -1.293 6.861 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.174 -3.672 5.904 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.399 -1.254 5.818 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.819 -2.438 5.349 1.00 0.00 C ATOM 0 H PHE A 69 -9.414 -4.949 9.860 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.484 -2.158 10.135 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.530 -3.284 8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.269 -1.577 8.496 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.444 -4.660 7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.749 -0.376 7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.711 -4.583 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.128 -0.308 5.373 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.091 -2.399 4.552 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.789 -1.463 11.176 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.664 -1.097 12.298 1.00 0.00 C ATOM 1030 C LYS A 70 -12.991 -0.529 11.835 1.00 0.00 C ATOM 1031 O LYS A 70 -14.014 -0.783 12.455 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.018 -0.160 13.345 1.00 0.00 C ATOM 1033 CG LYS A 70 -9.656 0.429 12.991 1.00 0.00 C ATOM 1034 CD LYS A 70 -9.733 1.603 11.993 1.00 0.00 C ATOM 1035 CE LYS A 70 -9.919 2.977 12.659 1.00 0.00 C ATOM 1036 NZ LYS A 70 -8.633 3.602 13.031 1.00 0.00 N ATOM 0 H LYS A 70 -10.513 -0.666 10.602 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.843 -2.045 12.806 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.706 0.664 13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.917 -0.712 14.279 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.168 0.770 13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.028 -0.356 12.569 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.821 1.620 11.396 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.561 1.429 11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.457 3.637 11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.537 2.865 13.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.811 4.525 13.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.129 2.987 13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.052 3.735 12.179 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.947 0.255 10.768 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.066 1.005 10.230 1.00 0.00 C ATOM 1052 C ASP A 71 -13.918 1.039 8.715 1.00 0.00 C ATOM 1053 O ASP A 71 -13.591 2.078 8.140 1.00 0.00 O ATOM 1054 CB ASP A 71 -14.076 2.391 10.885 1.00 0.00 C ATOM 1055 CG ASP A 71 -15.339 3.195 10.598 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.265 2.698 9.929 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -15.424 4.335 11.103 1.00 0.00 O ATOM 0 H ASP A 71 -12.090 0.390 10.231 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.030 0.547 10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.967 2.274 11.963 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.210 2.954 10.536 1.00 0.00 H new ATOM 1062 N PRO A 72 -14.012 -0.123 8.040 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.747 -0.195 6.612 1.00 0.00 C ATOM 1064 C PRO A 72 -14.720 0.712 5.846 1.00 0.00 C ATOM 1065 O PRO A 72 -14.310 1.378 4.894 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.827 -1.681 6.247 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.687 -2.296 7.338 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.390 -1.431 8.569 1.00 0.00 C ATOM 0 HA PRO A 72 -12.762 0.179 6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.273 -1.824 5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.837 -2.136 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.745 -2.269 7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.427 -3.340 7.511 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.264 -1.356 9.217 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.586 -1.861 9.167 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.973 0.798 6.297 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.016 1.652 5.741 1.00 0.00 C ATOM 1078 C GLU A 73 -16.716 3.155 5.849 1.00 0.00 C ATOM 1079 O GLU A 73 -17.458 3.936 5.262 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.364 1.334 6.408 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.373 1.781 7.874 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.698 1.544 8.576 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -20.666 2.280 8.277 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -19.736 0.668 9.474 1.00 0.00 O ATOM 0 H GLU A 73 -16.299 0.250 7.093 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.056 1.428 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.168 1.834 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.558 0.263 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.587 1.250 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.131 2.843 7.922 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.663 3.596 6.548 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.228 5.002 6.564 1.00 0.00 C ATOM 1093 C ASN A 74 -13.768 5.152 6.145 1.00 0.00 C ATOM 1094 O ASN A 74 -13.328 6.265 5.846 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.441 5.647 7.939 1.00 0.00 C ATOM 1096 CG ASN A 74 -16.915 5.875 8.225 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -17.538 6.738 7.618 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -17.532 5.126 9.120 1.00 0.00 N ATOM 0 H ASN A 74 -15.083 2.985 7.123 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.850 5.522 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.014 5.008 8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.910 6.598 7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.525 5.266 9.305 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -17.016 4.407 9.627 1.00 0.00 H new ATOM 1105 N THR A 75 -13.009 4.063 6.087 1.00 0.00 N ATOM 1106 CA THR A 75 -11.637 4.048 5.634 1.00 0.00 C ATOM 1107 C THR A 75 -11.569 4.278 4.110 1.00 0.00 C ATOM 1108 O THR A 75 -12.106 3.502 3.318 1.00 0.00 O ATOM 1109 CB THR A 75 -10.999 2.730 6.125 1.00 0.00 C ATOM 1110 OG1 THR A 75 -10.556 2.884 7.458 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.781 2.328 5.298 1.00 0.00 C ATOM 0 H THR A 75 -13.349 3.142 6.364 1.00 0.00 H new ATOM 0 HA THR A 75 -11.055 4.868 6.055 1.00 0.00 H new ATOM 0 HB THR A 75 -11.767 1.962 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.021 3.702 7.532 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.370 1.395 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.077 2.191 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.025 3.111 5.360 1.00 0.00 H new ATOM 1119 N THR A 76 -10.828 5.307 3.689 1.00 0.00 N ATOM 1120 CA THR A 76 -10.151 5.365 2.402 1.00 0.00 C ATOM 1121 C THR A 76 -8.962 4.411 2.500 1.00 0.00 C ATOM 1122 O THR A 76 -8.024 4.682 3.259 1.00 0.00 O ATOM 1123 CB THR A 76 -9.636 6.791 2.118 1.00 0.00 C ATOM 1124 OG1 THR A 76 -10.622 7.788 2.280 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.086 6.905 0.696 1.00 0.00 C ATOM 0 H THR A 76 -10.682 6.143 4.254 1.00 0.00 H new ATOM 0 HA THR A 76 -10.833 5.091 1.597 1.00 0.00 H new ATOM 0 HB THR A 76 -8.851 6.959 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.233 8.667 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.730 7.921 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.261 6.205 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.875 6.671 -0.019 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.974 3.290 1.775 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.756 2.501 1.660 1.00 0.00 C ATOM 1135 C LEU A 77 -6.837 3.094 0.595 1.00 0.00 C ATOM 1136 O LEU A 77 -7.300 3.526 -0.455 1.00 0.00 O ATOM 1137 CB LEU A 77 -8.059 1.024 1.354 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.482 0.088 2.428 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.654 -1.375 1.991 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.994 0.338 2.718 1.00 0.00 C ATOM 0 H LEU A 77 -9.784 2.922 1.277 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.247 2.536 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.137 0.880 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.643 0.762 0.381 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.036 0.296 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.243 -2.034 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.714 -1.592 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.127 -1.538 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.651 -0.356 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.415 0.187 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.858 1.361 3.068 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.529 3.004 0.801 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.521 3.329 -0.196 1.00 0.00 C ATOM 1154 C TYR A 78 -3.745 2.042 -0.448 1.00 0.00 C ATOM 1155 O TYR A 78 -3.039 1.568 0.441 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.623 4.478 0.289 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.292 5.841 0.337 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.013 6.219 1.485 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.198 6.734 -0.754 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -5.654 7.465 1.546 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -4.845 7.987 -0.699 1.00 0.00 C ATOM 1162 CZ TYR A 78 -5.589 8.343 0.450 1.00 0.00 C ATOM 1163 OH TYR A 78 -6.230 9.534 0.539 1.00 0.00 O ATOM 0 H TYR A 78 -5.132 2.695 1.688 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.966 3.685 -1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.255 4.235 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.753 4.540 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.073 5.544 2.326 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.631 6.458 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.197 7.750 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.772 8.672 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.114 9.902 1.440 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.912 1.426 -1.617 1.00 0.00 N ATOM 1174 CA ILE A 79 -3.083 0.298 -2.023 1.00 0.00 C ATOM 1175 C ILE A 79 -1.706 0.820 -2.417 1.00 0.00 C ATOM 1176 O ILE A 79 -1.625 1.883 -3.032 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.773 -0.463 -3.173 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -5.065 -1.112 -2.630 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.872 -1.566 -3.736 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.298 -0.264 -2.911 1.00 0.00 C ATOM 0 H ILE A 79 -4.619 1.693 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.955 -0.407 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.991 0.245 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.193 -2.096 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.969 -1.265 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.390 -2.082 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.952 -1.124 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.632 -2.278 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.181 -0.762 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.185 0.711 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.412 -0.133 -3.987 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.646 0.063 -2.120 1.00 0.00 N ATOM 1193 CA LEU A 80 0.731 0.367 -2.495 1.00 0.00 C ATOM 1194 C LEU A 80 1.364 -0.917 -3.033 1.00 0.00 C ATOM 1195 O LEU A 80 1.462 -1.896 -2.291 1.00 0.00 O ATOM 1196 CB LEU A 80 1.483 0.901 -1.259 1.00 0.00 C ATOM 1197 CG LEU A 80 2.723 1.765 -1.558 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.507 1.957 -0.258 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.676 1.214 -2.613 1.00 0.00 C ATOM 0 H LEU A 80 -0.730 -0.807 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 80 0.777 1.134 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.788 1.489 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.792 0.052 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 80 2.334 2.697 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.389 2.567 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.876 2.455 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.816 0.985 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.512 1.902 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.052 0.243 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.147 1.103 -3.559 1.00 0.00 H new ATOM 1211 N ASP A 81 1.758 -0.935 -4.306 1.00 0.00 N ATOM 1212 CA ASP A 81 2.418 -2.063 -4.972 1.00 0.00 C ATOM 1213 C ASP A 81 3.902 -1.755 -5.260 1.00 0.00 C ATOM 1214 O ASP A 81 4.404 -0.694 -4.907 1.00 0.00 O ATOM 1215 CB ASP A 81 1.628 -2.465 -6.232 1.00 0.00 C ATOM 1216 CG ASP A 81 2.295 -2.001 -7.517 1.00 0.00 C ATOM 1217 OD1 ASP A 81 2.195 -0.798 -7.824 1.00 0.00 O ATOM 1218 OD2 ASP A 81 2.974 -2.855 -8.148 1.00 0.00 O ATOM 0 H ASP A 81 1.622 -0.137 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 81 2.419 -2.923 -4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.518 -3.549 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.624 -2.044 -6.176 1.00 0.00 H new ATOM 1223 N LYS A 82 4.649 -2.695 -5.847 1.00 0.00 N ATOM 1224 CA LYS A 82 6.048 -2.508 -6.232 1.00 0.00 C ATOM 1225 C LYS A 82 6.198 -1.410 -7.280 1.00 0.00 C ATOM 1226 O LYS A 82 7.155 -0.657 -7.171 1.00 0.00 O ATOM 1227 CB LYS A 82 6.620 -3.840 -6.758 1.00 0.00 C ATOM 1228 CG LYS A 82 6.757 -4.906 -5.652 1.00 0.00 C ATOM 1229 CD LYS A 82 6.633 -6.345 -6.159 1.00 0.00 C ATOM 1230 CE LYS A 82 7.707 -6.736 -7.169 1.00 0.00 C ATOM 1231 NZ LYS A 82 7.214 -7.768 -8.108 1.00 0.00 N ATOM 0 H LYS A 82 4.290 -3.623 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 82 6.609 -2.195 -5.351 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.973 -4.222 -7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.597 -3.660 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.723 -4.786 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.992 -4.731 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.682 -7.025 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.652 -6.476 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.022 -5.854 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.585 -7.110 -6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.967 -8.012 -8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.936 -8.617 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.391 -7.400 -8.627 1.00 0.00 H new ATOM 1245 N PHE A 83 5.357 -1.345 -8.313 1.00 0.00 N ATOM 1246 CA PHE A 83 5.644 -0.566 -9.508 1.00 0.00 C ATOM 1247 C PHE A 83 4.377 -0.236 -10.299 1.00 0.00 C ATOM 1248 O PHE A 83 4.266 0.830 -10.912 1.00 0.00 O ATOM 1249 CB PHE A 83 6.571 -1.432 -10.378 1.00 0.00 C ATOM 1250 CG PHE A 83 7.608 -0.662 -11.151 1.00 0.00 C ATOM 1251 CD1 PHE A 83 7.237 0.085 -12.281 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.952 -0.729 -10.754 1.00 0.00 C ATOM 1253 CE1 PHE A 83 8.221 0.764 -13.022 1.00 0.00 C ATOM 1254 CE2 PHE A 83 9.939 -0.068 -11.503 1.00 0.00 C ATOM 1255 CZ PHE A 83 9.570 0.684 -12.633 1.00 0.00 C ATOM 0 H PHE A 83 4.461 -1.831 -8.341 1.00 0.00 H new ATOM 0 HA PHE A 83 6.099 0.384 -9.227 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.077 -2.155 -9.738 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.961 -2.000 -11.081 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.200 0.138 -12.580 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.227 -1.289 -9.872 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.941 1.346 -13.888 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.977 -0.137 -11.213 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.326 1.202 -13.204 1.00 0.00 H new ATOM 1265 N ASP A 84 3.488 -1.220 -10.425 1.00 0.00 N ATOM 1266 CA ASP A 84 2.293 -1.168 -11.246 1.00 0.00 C ATOM 1267 C ASP A 84 1.331 -2.240 -10.750 1.00 0.00 C ATOM 1268 O ASP A 84 0.219 -1.941 -10.308 1.00 0.00 O ATOM 1269 CB ASP A 84 2.674 -1.409 -12.710 1.00 0.00 C ATOM 1270 CG ASP A 84 1.504 -1.127 -13.634 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.603 -1.989 -13.781 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.494 -0.036 -14.245 1.00 0.00 O ATOM 0 H ASP A 84 3.591 -2.109 -9.935 1.00 0.00 H new ATOM 0 HA ASP A 84 1.813 -0.192 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.516 -0.771 -12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.002 -2.441 -12.838 1.00 0.00 H new ATOM 1277 N GLY A 85 1.792 -3.495 -10.781 1.00 0.00 N ATOM 1278 CA GLY A 85 1.163 -4.648 -10.166 1.00 0.00 C ATOM 1279 C GLY A 85 -0.287 -4.770 -10.598 1.00 0.00 C ATOM 1280 O GLY A 85 -0.560 -5.179 -11.729 1.00 0.00 O ATOM 0 H GLY A 85 2.658 -3.736 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.706 -5.553 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.217 -4.561 -9.081 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.202 -4.434 -9.688 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.640 -4.346 -9.926 1.00 0.00 C ATOM 1286 C ASN A 86 -3.247 -3.264 -9.026 1.00 0.00 C ATOM 1287 O ASN A 86 -4.401 -3.396 -8.633 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.336 -5.689 -9.650 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.874 -6.839 -10.521 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -2.024 -7.616 -10.102 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.404 -6.974 -11.722 1.00 0.00 N ATOM 0 H ASN A 86 -0.949 -4.207 -8.726 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.793 -4.089 -10.974 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.176 -5.957 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.410 -5.559 -9.785 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.108 -7.740 -12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.110 -6.312 -12.045 1.00 0.00 H new ATOM 1298 N SER A 87 -2.478 -2.268 -8.572 1.00 0.00 N ATOM 1299 CA SER A 87 -2.925 -1.352 -7.519 1.00 0.00 C ATOM 1300 C SER A 87 -4.283 -0.718 -7.839 1.00 0.00 C ATOM 1301 O SER A 87 -5.136 -0.628 -6.958 1.00 0.00 O ATOM 1302 CB SER A 87 -1.831 -0.303 -7.253 1.00 0.00 C ATOM 1303 OG SER A 87 -1.150 0.080 -8.436 1.00 0.00 O ATOM 0 H SER A 87 -1.539 -2.076 -8.920 1.00 0.00 H new ATOM 0 HA SER A 87 -3.082 -1.923 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.280 0.578 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.113 -0.704 -6.538 1.00 0.00 H new ATOM 0 HG SER A 87 -0.467 0.748 -8.218 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.500 -0.340 -9.101 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.740 0.270 -9.571 1.00 0.00 C ATOM 1311 C GLU A 88 -6.916 -0.705 -9.460 1.00 0.00 C ATOM 1312 O GLU A 88 -7.984 -0.330 -8.987 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.575 0.767 -11.016 1.00 0.00 C ATOM 1314 CG GLU A 88 -4.282 1.572 -11.207 1.00 0.00 C ATOM 1315 CD GLU A 88 -4.245 2.399 -12.497 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -5.305 2.894 -12.925 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.127 2.597 -13.036 1.00 0.00 O ATOM 0 H GLU A 88 -3.803 -0.453 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.961 1.125 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.573 -0.086 -11.694 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.430 1.387 -11.285 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.154 2.240 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.435 0.886 -11.204 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.704 -1.968 -9.850 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.686 -3.046 -9.725 1.00 0.00 C ATOM 1326 C LEU A 89 -8.159 -3.131 -8.274 1.00 0.00 C ATOM 1327 O LEU A 89 -9.353 -3.164 -7.993 1.00 0.00 O ATOM 1328 CB LEU A 89 -7.029 -4.367 -10.171 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.936 -5.566 -10.480 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -8.722 -6.098 -9.282 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -8.886 -5.272 -11.641 1.00 0.00 C ATOM 0 H LEU A 89 -5.826 -2.273 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.553 -2.852 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.438 -4.159 -11.063 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.332 -4.671 -9.390 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.245 -6.359 -10.766 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.334 -6.944 -9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.028 -6.420 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.365 -5.310 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.511 -6.145 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.518 -4.421 -11.388 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.307 -5.041 -12.535 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.214 -3.167 -7.335 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.545 -3.314 -5.931 1.00 0.00 C ATOM 1345 C VAL A 90 -8.214 -2.025 -5.399 1.00 0.00 C ATOM 1346 O VAL A 90 -9.064 -2.110 -4.506 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.293 -3.767 -5.152 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.655 -4.227 -3.734 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.594 -4.973 -5.800 1.00 0.00 C ATOM 0 H VAL A 90 -6.215 -3.096 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.288 -4.098 -5.785 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.639 -2.895 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.751 -4.540 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.121 -3.404 -3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.350 -5.065 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.720 -5.248 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.284 -5.815 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.281 -4.712 -6.811 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.896 -0.847 -5.959 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.474 0.445 -5.580 1.00 0.00 C ATOM 1361 C ALA A 91 -9.970 0.528 -5.900 1.00 0.00 C ATOM 1362 O ALA A 91 -10.706 1.243 -5.217 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.723 1.590 -6.266 1.00 0.00 C ATOM 0 H ALA A 91 -7.209 -0.769 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.366 0.539 -4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.165 2.542 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.675 1.569 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.793 1.475 -7.348 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.456 -0.246 -6.868 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.879 -0.325 -7.181 1.00 0.00 C ATOM 1371 C GLU A 92 -12.526 -1.590 -6.612 1.00 0.00 C ATOM 1372 O GLU A 92 -13.709 -1.822 -6.855 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.089 -0.186 -8.701 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.465 -1.338 -9.508 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.701 -1.185 -11.006 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -11.105 -0.260 -11.609 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -12.479 -1.963 -11.597 1.00 0.00 O ATOM 0 H GLU A 92 -9.871 -0.837 -7.459 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.387 0.507 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.158 -0.141 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.659 0.758 -9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.393 -1.377 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.885 -2.285 -9.170 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.791 -2.400 -5.846 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.244 -3.704 -5.378 1.00 0.00 C ATOM 1386 C LEU A 93 -12.644 -3.662 -3.912 1.00 0.00 C ATOM 1387 O LEU A 93 -13.734 -4.118 -3.567 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.116 -4.718 -5.600 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.425 -6.137 -5.111 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.546 -6.785 -5.925 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.148 -6.966 -5.228 1.00 0.00 C ATOM 0 H LEU A 93 -10.851 -2.161 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.129 -3.999 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.886 -4.757 -6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.220 -4.361 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.765 -6.092 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.735 -7.790 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.453 -6.187 -5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.250 -6.841 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.341 -7.983 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.823 -6.989 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.366 -6.519 -4.614 1.00 0.00 H new ATOM 1403 N VAL A 94 -11.790 -3.152 -3.018 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.106 -3.159 -1.584 1.00 0.00 C ATOM 1405 C VAL A 94 -13.391 -2.386 -1.286 1.00 0.00 C ATOM 1406 O VAL A 94 -14.182 -2.804 -0.439 1.00 0.00 O ATOM 1407 CB VAL A 94 -10.944 -2.638 -0.725 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -9.835 -3.694 -0.648 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.346 -1.310 -1.201 1.00 0.00 C ATOM 0 H VAL A 94 -10.890 -2.736 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.267 -4.202 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.372 -2.445 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.015 -3.317 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.231 -4.606 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.469 -3.912 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.533 -1.018 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.963 -1.426 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.117 -0.539 -1.191 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.627 -1.308 -2.033 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.821 -0.488 -1.942 1.00 0.00 C ATOM 1421 C ALA A 95 -16.097 -1.323 -2.168 1.00 0.00 C ATOM 1422 O ALA A 95 -17.145 -1.085 -1.566 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.677 0.639 -2.977 1.00 0.00 C ATOM 0 H ALA A 95 -12.969 -0.976 -2.738 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.921 -0.065 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.557 1.281 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.789 1.229 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.583 0.208 -3.974 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.020 -2.337 -3.030 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.132 -3.222 -3.368 1.00 0.00 C ATOM 1431 C LEU A 96 -17.216 -4.401 -2.388 1.00 0.00 C ATOM 1432 O LEU A 96 -18.141 -5.210 -2.462 1.00 0.00 O ATOM 1433 CB LEU A 96 -16.971 -3.704 -4.818 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.430 -2.676 -5.874 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -16.785 -1.288 -5.746 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -17.164 -3.266 -7.259 1.00 0.00 C ATOM 0 H LEU A 96 -15.159 -2.571 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.069 -2.672 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.924 -3.949 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.540 -4.624 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.493 -2.499 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.169 -0.635 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.025 -0.864 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.703 -1.379 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.481 -2.557 -8.024 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.099 -3.468 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.723 -4.195 -7.372 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.262 -4.519 -1.461 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.105 -5.658 -0.559 1.00 0.00 C ATOM 1450 C ASN A 97 -16.212 -5.247 0.911 1.00 0.00 C ATOM 1451 O ASN A 97 -15.841 -6.009 1.804 1.00 0.00 O ATOM 1452 CB ASN A 97 -14.838 -6.451 -0.900 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.107 -7.275 -2.148 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.650 -8.372 -2.075 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -14.807 -6.745 -3.317 1.00 0.00 N ATOM 0 H ASN A 97 -15.555 -3.799 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.940 -6.341 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.000 -5.774 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.562 -7.101 -0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.027 -7.248 -4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.355 -5.832 -3.362 1.00 0.00 H new ATOM 1462 N GLY A 98 -16.734 -4.050 1.184 1.00 0.00 N ATOM 1463 CA GLY A 98 -17.086 -3.602 2.526 1.00 0.00 C ATOM 1464 C GLY A 98 -16.529 -2.228 2.866 1.00 0.00 C ATOM 1465 O GLY A 98 -16.940 -1.659 3.877 1.00 0.00 O ATOM 0 H GLY A 98 -16.926 -3.354 0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.172 -3.580 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.717 -4.326 3.252 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.610 -1.686 2.061 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.003 -0.392 2.344 1.00 0.00 C ATOM 1471 C PHE A 99 -15.773 0.749 1.709 1.00 0.00 C ATOM 1472 O PHE A 99 -16.655 0.545 0.869 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.521 -0.376 1.930 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.593 -1.182 2.822 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.667 -2.588 2.881 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.660 -0.505 3.627 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.824 -3.300 3.752 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.804 -1.224 4.476 1.00 0.00 C ATOM 1479 CZ PHE A 99 -10.884 -2.625 4.541 1.00 0.00 C ATOM 0 H PHE A 99 -15.273 -2.129 1.206 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.050 -0.239 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.440 -0.756 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.176 0.658 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.371 -3.118 2.257 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.602 0.573 3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.902 -4.375 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.081 -0.698 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.225 -3.178 5.195 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.410 1.969 2.108 1.00 0.00 N ATOM 1490 CA LYS A 100 -15.967 3.157 1.497 1.00 0.00 C ATOM 1491 C LYS A 100 -15.419 3.289 0.078 1.00 0.00 C ATOM 1492 O LYS A 100 -16.167 3.127 -0.888 1.00 0.00 O ATOM 1493 CB LYS A 100 -15.698 4.396 2.366 1.00 0.00 C ATOM 1494 CG LYS A 100 -16.534 5.633 1.986 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.033 5.525 2.320 1.00 0.00 C ATOM 1496 CE LYS A 100 -18.870 4.835 1.238 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.247 4.593 1.709 1.00 0.00 N ATOM 0 H LYS A 100 -14.734 2.151 2.850 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.052 3.072 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -15.897 4.144 3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.641 4.651 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.124 6.503 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.426 5.813 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.147 4.977 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.430 6.527 2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.892 5.453 0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.405 3.889 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.793 4.125 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.224 3.984 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.696 5.500 1.950 1.00 0.00 H new ATOM 1511 N SER A 101 -14.125 3.577 -0.030 1.00 0.00 N ATOM 1512 CA SER A 101 -13.425 4.002 -1.235 1.00 0.00 C ATOM 1513 C SER A 101 -11.978 3.530 -1.133 1.00 0.00 C ATOM 1514 O SER A 101 -11.497 3.246 -0.028 1.00 0.00 O ATOM 1515 CB SER A 101 -13.438 5.536 -1.289 1.00 0.00 C ATOM 1516 OG SER A 101 -14.747 6.051 -1.121 1.00 0.00 O ATOM 0 H SER A 101 -13.499 3.515 0.773 1.00 0.00 H new ATOM 0 HA SER A 101 -13.901 3.590 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.787 5.934 -0.511 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.034 5.871 -2.244 1.00 0.00 H new ATOM 0 HG SER A 101 -14.721 7.030 -1.159 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.250 3.496 -2.249 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.814 3.275 -2.213 1.00 0.00 C ATOM 1524 C ALA A 102 -9.080 3.970 -3.360 1.00 0.00 C ATOM 1525 O ALA A 102 -9.692 4.526 -4.273 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.526 1.772 -2.145 1.00 0.00 C ATOM 0 H ALA A 102 -11.635 3.619 -3.185 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.418 3.738 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.449 1.609 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.979 1.355 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.945 1.281 -3.023 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.751 3.959 -3.273 1.00 0.00 N ATOM 1533 CA TYR A 103 -6.816 4.678 -4.127 1.00 0.00 C ATOM 1534 C TYR A 103 -5.642 3.779 -4.475 1.00 0.00 C ATOM 1535 O TYR A 103 -5.257 2.912 -3.684 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.255 5.885 -3.362 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.058 7.159 -3.478 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.319 7.274 -2.866 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.522 8.245 -4.191 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.070 8.451 -3.012 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.248 9.439 -4.311 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.539 9.536 -3.741 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.293 10.654 -3.920 1.00 0.00 O ATOM 0 H TYR A 103 -7.271 3.412 -2.558 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.339 4.994 -5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.177 5.620 -2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.243 6.080 -3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.711 6.454 -2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.547 8.160 -4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.051 8.526 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -6.823 10.281 -4.837 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.786 11.311 -4.442 1.00 0.00 H new ATOM 1553 N ALA A 104 -4.988 4.085 -5.592 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.707 3.524 -5.998 1.00 0.00 C ATOM 1555 C ALA A 104 -2.650 4.633 -6.046 1.00 0.00 C ATOM 1556 O ALA A 104 -2.979 5.818 -6.182 1.00 0.00 O ATOM 1557 CB ALA A 104 -3.884 2.847 -7.362 1.00 0.00 C ATOM 0 H ALA A 104 -5.353 4.759 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.365 2.778 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.934 2.421 -7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.628 2.055 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.216 3.584 -8.093 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.378 4.237 -6.000 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.221 5.110 -6.196 1.00 0.00 C ATOM 1565 C ILE A 105 0.459 4.643 -7.484 1.00 0.00 C ATOM 1566 O ILE A 105 0.745 3.449 -7.637 1.00 0.00 O ATOM 1567 CB ILE A 105 0.722 5.151 -4.957 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.192 5.389 -5.360 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.631 3.933 -4.033 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.125 5.690 -4.183 1.00 0.00 C ATOM 0 H ILE A 105 -1.116 3.268 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.529 6.151 -6.300 1.00 0.00 H new ATOM 0 HB ILE A 105 0.356 6.000 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.560 4.508 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.234 6.220 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.324 4.055 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.385 3.843 -3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.889 3.033 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.139 5.845 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.785 6.589 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.116 4.850 -3.488 1.00 0.00 H new ATOM 1582 N LYS A 106 0.699 5.572 -8.413 1.00 0.00 N ATOM 1583 CA LYS A 106 1.473 5.265 -9.609 1.00 0.00 C ATOM 1584 C LYS A 106 2.907 4.925 -9.224 1.00 0.00 C ATOM 1585 O LYS A 106 3.409 5.447 -8.233 1.00 0.00 O ATOM 1586 CB LYS A 106 1.499 6.484 -10.534 1.00 0.00 C ATOM 1587 CG LYS A 106 1.899 6.061 -11.958 1.00 0.00 C ATOM 1588 CD LYS A 106 1.953 7.208 -12.965 1.00 0.00 C ATOM 1589 CE LYS A 106 2.767 6.754 -14.191 1.00 0.00 C ATOM 1590 NZ LYS A 106 4.210 7.061 -14.067 1.00 0.00 N ATOM 0 H LYS A 106 0.369 6.536 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 106 1.011 4.418 -10.116 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.518 6.959 -10.550 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.205 7.223 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.877 5.581 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.190 5.314 -12.315 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.945 7.494 -13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.412 8.087 -12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.639 5.680 -14.329 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.372 7.239 -15.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 4.767 6.274 -14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 4.426 7.932 -14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 4.452 7.193 -13.064 1.00 0.00 H new ATOM 1604 N ASP A 107 3.582 4.126 -10.051 1.00 0.00 N ATOM 1605 CA ASP A 107 5.004 3.795 -9.923 1.00 0.00 C ATOM 1606 C ASP A 107 5.290 3.037 -8.613 1.00 0.00 C ATOM 1607 O ASP A 107 6.450 2.801 -8.282 1.00 0.00 O ATOM 1608 CB ASP A 107 5.897 5.046 -10.126 1.00 0.00 C ATOM 1609 CG ASP A 107 5.710 5.732 -11.480 1.00 0.00 C ATOM 1610 OD1 ASP A 107 5.859 5.053 -12.520 1.00 0.00 O ATOM 1611 OD2 ASP A 107 5.424 6.951 -11.543 1.00 0.00 O ATOM 0 H ASP A 107 3.142 3.677 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 107 5.269 3.108 -10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.684 5.764 -9.334 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.942 4.755 -10.019 1.00 0.00 H new ATOM 1616 N GLY A 108 4.237 2.620 -7.893 1.00 0.00 N ATOM 1617 CA GLY A 108 4.250 1.942 -6.608 1.00 0.00 C ATOM 1618 C GLY A 108 5.343 2.463 -5.685 1.00 0.00 C ATOM 1619 O GLY A 108 5.425 3.664 -5.423 1.00 0.00 O ATOM 0 H GLY A 108 3.285 2.764 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.281 2.067 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.392 0.873 -6.766 1.00 0.00 H new ATOM 1623 N ALA A 109 6.177 1.562 -5.178 1.00 0.00 N ATOM 1624 CA ALA A 109 7.309 1.877 -4.335 1.00 0.00 C ATOM 1625 C ALA A 109 8.557 2.145 -5.171 1.00 0.00 C ATOM 1626 O ALA A 109 9.251 3.133 -4.928 1.00 0.00 O ATOM 1627 CB ALA A 109 7.539 0.716 -3.369 1.00 0.00 C ATOM 0 H ALA A 109 6.075 0.562 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 109 7.099 2.785 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.391 0.940 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.650 0.572 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.741 -0.194 -3.935 1.00 0.00 H new ATOM 1633 N GLU A 110 8.861 1.226 -6.089 1.00 0.00 N ATOM 1634 CA GLU A 110 10.163 1.031 -6.714 1.00 0.00 C ATOM 1635 C GLU A 110 10.328 1.799 -8.034 1.00 0.00 C ATOM 1636 O GLU A 110 11.415 1.766 -8.625 1.00 0.00 O ATOM 1637 CB GLU A 110 10.399 -0.470 -6.977 1.00 0.00 C ATOM 1638 CG GLU A 110 10.288 -1.360 -5.733 1.00 0.00 C ATOM 1639 CD GLU A 110 11.003 -2.699 -5.943 1.00 0.00 C ATOM 1640 OE1 GLU A 110 12.261 -2.718 -5.919 1.00 0.00 O ATOM 1641 OE2 GLU A 110 10.324 -3.732 -6.155 1.00 0.00 O ATOM 0 H GLU A 110 8.165 0.564 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 110 10.900 1.426 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.678 -0.813 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.390 -0.598 -7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.720 -0.845 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.238 -1.538 -5.503 1.00 0.00 H new ATOM 1648 N GLY A 111 9.264 2.433 -8.536 1.00 0.00 N ATOM 1649 CA GLY A 111 9.207 3.071 -9.845 1.00 0.00 C ATOM 1650 C GLY A 111 9.882 4.444 -9.870 1.00 0.00 C ATOM 1651 O GLY A 111 10.239 4.978 -8.820 1.00 0.00 O ATOM 0 H GLY A 111 8.389 2.516 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.685 2.424 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.165 3.179 -10.146 1.00 0.00 H new ATOM 1655 N PRO A 112 10.037 5.076 -11.049 1.00 0.00 N ATOM 1656 CA PRO A 112 10.884 6.261 -11.221 1.00 0.00 C ATOM 1657 C PRO A 112 10.395 7.501 -10.478 1.00 0.00 C ATOM 1658 O PRO A 112 11.158 8.459 -10.310 1.00 0.00 O ATOM 1659 CB PRO A 112 10.956 6.526 -12.729 1.00 0.00 C ATOM 1660 CG PRO A 112 9.784 5.736 -13.302 1.00 0.00 C ATOM 1661 CD PRO A 112 9.636 4.561 -12.342 1.00 0.00 C ATOM 0 HA PRO A 112 11.862 6.057 -10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.867 7.589 -12.952 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.905 6.191 -13.148 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.876 6.338 -13.341 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.987 5.399 -14.319 1.00 0.00 H new ATOM 0 HD2 PRO A 112 8.609 4.197 -12.320 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.264 3.723 -12.645 1.00 0.00 H new ATOM 1669 N ARG A 113 9.139 7.499 -10.034 1.00 0.00 N ATOM 1670 CA ARG A 113 8.542 8.482 -9.138 1.00 0.00 C ATOM 1671 C ARG A 113 7.600 7.779 -8.161 1.00 0.00 C ATOM 1672 O ARG A 113 6.616 8.366 -7.720 1.00 0.00 O ATOM 1673 CB ARG A 113 7.857 9.584 -9.957 1.00 0.00 C ATOM 1674 CG ARG A 113 8.898 10.503 -10.602 1.00 0.00 C ATOM 1675 CD ARG A 113 8.435 11.953 -10.738 1.00 0.00 C ATOM 1676 NE ARG A 113 9.549 12.806 -11.186 1.00 0.00 N ATOM 1677 CZ ARG A 113 9.703 14.110 -10.924 1.00 0.00 C ATOM 1678 NH1 ARG A 113 8.879 14.773 -10.127 1.00 0.00 N ATOM 1679 NH2 ARG A 113 10.697 14.790 -11.476 1.00 0.00 N ATOM 0 H ARG A 113 8.477 6.772 -10.306 1.00 0.00 H new ATOM 0 HA ARG A 113 9.310 8.971 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.232 9.135 -10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 113 7.199 10.167 -9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.811 10.476 -10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 113 9.149 10.117 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.612 12.014 -11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 113 8.055 12.312 -9.781 1.00 0.00 H new ATOM 0 HE ARG A 113 10.273 12.361 -11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.095 14.290 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.029 15.767 -9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 113 11.349 14.320 -12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 113 10.810 15.783 -11.273 1.00 0.00 H new ATOM 1693 N GLY A 114 7.902 6.521 -7.829 1.00 0.00 N ATOM 1694 CA GLY A 114 7.212 5.781 -6.792 1.00 0.00 C ATOM 1695 C GLY A 114 7.550 6.349 -5.415 1.00 0.00 C ATOM 1696 O GLY A 114 8.181 7.407 -5.293 1.00 0.00 O ATOM 0 H GLY A 114 8.644 5.989 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.136 5.829 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.495 4.729 -6.838 1.00 0.00 H new ATOM 1700 N TRP A 115 7.110 5.644 -4.374 1.00 0.00 N ATOM 1701 CA TRP A 115 7.255 6.010 -2.974 1.00 0.00 C ATOM 1702 C TRP A 115 8.711 6.367 -2.662 1.00 0.00 C ATOM 1703 O TRP A 115 8.990 7.496 -2.242 1.00 0.00 O ATOM 1704 CB TRP A 115 6.735 4.865 -2.083 1.00 0.00 C ATOM 1705 CG TRP A 115 6.491 5.171 -0.635 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.440 5.322 0.317 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.217 5.329 0.053 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.844 5.519 1.549 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.466 5.519 1.445 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.870 5.351 -0.366 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.417 5.704 2.367 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.817 5.551 0.542 1.00 0.00 C ATOM 1713 CH2 TRP A 115 3.095 5.727 1.905 1.00 0.00 C ATOM 0 H TRP A 115 6.619 4.758 -4.495 1.00 0.00 H new ATOM 0 HA TRP A 115 6.657 6.897 -2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.801 4.502 -2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.451 4.045 -2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.505 5.293 0.141 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.355 5.648 2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.642 5.210 -1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.630 5.827 3.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.796 5.569 0.191 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.285 5.881 2.603 1.00 0.00 H new ATOM 1724 N LEU A 116 9.625 5.409 -2.880 1.00 0.00 N ATOM 1725 CA LEU A 116 11.051 5.532 -2.570 1.00 0.00 C ATOM 1726 C LEU A 116 11.627 6.746 -3.287 1.00 0.00 C ATOM 1727 O LEU A 116 12.254 7.612 -2.677 1.00 0.00 O ATOM 1728 CB LEU A 116 11.806 4.259 -3.000 1.00 0.00 C ATOM 1729 CG LEU A 116 11.476 3.019 -2.148 1.00 0.00 C ATOM 1730 CD1 LEU A 116 11.869 1.749 -2.896 1.00 0.00 C ATOM 1731 CD2 LEU A 116 12.212 3.025 -0.805 1.00 0.00 C ATOM 0 H LEU A 116 9.383 4.506 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 116 11.169 5.658 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.571 4.044 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.878 4.449 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 116 10.403 3.046 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.631 0.878 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 116 11.318 1.694 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 116 12.939 1.765 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.947 2.131 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.288 3.038 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.926 3.910 -0.237 1.00 0.00 H new ATOM 1743 N ASN A 117 11.331 6.846 -4.583 1.00 0.00 N ATOM 1744 CA ASN A 117 11.771 7.905 -5.485 1.00 0.00 C ATOM 1745 C ASN A 117 11.213 9.295 -5.145 1.00 0.00 C ATOM 1746 O ASN A 117 11.490 10.248 -5.879 1.00 0.00 O ATOM 1747 CB ASN A 117 11.402 7.522 -6.928 1.00 0.00 C ATOM 1748 CG ASN A 117 12.474 6.648 -7.556 1.00 0.00 C ATOM 1749 OD1 ASN A 117 12.672 5.503 -7.159 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.184 7.168 -8.542 1.00 0.00 N ATOM 0 H ASN A 117 10.748 6.154 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 117 12.851 7.988 -5.367 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.449 6.994 -6.934 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.270 8.425 -7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.915 6.616 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.001 8.122 -8.854 1.00 0.00 H new ATOM 1757 N SER A 118 10.426 9.458 -4.078 1.00 0.00 N ATOM 1758 CA SER A 118 9.697 10.687 -3.776 1.00 0.00 C ATOM 1759 C SER A 118 9.972 11.229 -2.370 1.00 0.00 C ATOM 1760 O SER A 118 9.149 11.981 -1.843 1.00 0.00 O ATOM 1761 CB SER A 118 8.213 10.472 -4.089 1.00 0.00 C ATOM 1762 OG SER A 118 8.071 10.154 -5.463 1.00 0.00 O ATOM 0 H SER A 118 10.277 8.722 -3.387 1.00 0.00 H new ATOM 0 HA SER A 118 10.066 11.485 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.811 9.667 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.644 11.371 -3.850 1.00 0.00 H new ATOM 0 HG SER A 118 8.092 9.181 -5.577 1.00 0.00 H new ATOM 1768 N SER A 119 11.133 10.907 -1.781 1.00 0.00 N ATOM 1769 CA SER A 119 11.610 11.462 -0.506 1.00 0.00 C ATOM 1770 C SER A 119 10.769 10.996 0.695 1.00 0.00 C ATOM 1771 O SER A 119 10.897 11.517 1.806 1.00 0.00 O ATOM 1772 CB SER A 119 11.711 12.995 -0.616 1.00 0.00 C ATOM 1773 OG SER A 119 12.733 13.503 0.215 1.00 0.00 O ATOM 0 H SER A 119 11.783 10.236 -2.189 1.00 0.00 H new ATOM 0 HA SER A 119 12.609 11.072 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.908 13.275 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.757 13.445 -0.340 1.00 0.00 H new ATOM 0 HG SER A 119 12.775 14.478 0.123 1.00 0.00 H new ATOM 1779 N LEU A 120 9.874 10.033 0.476 1.00 0.00 N ATOM 1780 CA LEU A 120 8.938 9.556 1.478 1.00 0.00 C ATOM 1781 C LEU A 120 9.675 8.750 2.560 1.00 0.00 C ATOM 1782 O LEU A 120 10.758 8.220 2.290 1.00 0.00 O ATOM 1783 CB LEU A 120 7.853 8.734 0.756 1.00 0.00 C ATOM 1784 CG LEU A 120 6.897 9.590 -0.107 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.740 8.758 -0.663 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.302 10.789 0.648 1.00 0.00 C ATOM 0 H LEU A 120 9.782 9.558 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 120 8.459 10.387 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.335 7.991 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.269 8.189 1.497 1.00 0.00 H new ATOM 0 HG LEU A 120 7.519 9.966 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.090 9.394 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.135 7.954 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.169 8.332 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.641 11.346 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.735 10.432 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.107 11.440 0.988 1.00 0.00 H new ATOM 1798 N PRO A 121 9.117 8.635 3.774 1.00 0.00 N ATOM 1799 CA PRO A 121 9.681 7.845 4.865 1.00 0.00 C ATOM 1800 C PRO A 121 9.635 6.330 4.585 1.00 0.00 C ATOM 1801 O PRO A 121 8.738 5.825 3.893 1.00 0.00 O ATOM 1802 CB PRO A 121 8.804 8.217 6.062 1.00 0.00 C ATOM 1803 CG PRO A 121 7.439 8.455 5.426 1.00 0.00 C ATOM 1804 CD PRO A 121 7.856 9.225 4.195 1.00 0.00 C ATOM 0 HA PRO A 121 10.739 8.057 5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.771 7.417 6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.173 9.107 6.571 1.00 0.00 H new ATOM 0 HG2 PRO A 121 6.925 7.525 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.773 9.028 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.104 9.146 3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.974 10.286 4.417 1.00 0.00 H new ATOM 1812 N TRP A 122 10.566 5.587 5.189 1.00 0.00 N ATOM 1813 CA TRP A 122 10.708 4.140 5.029 1.00 0.00 C ATOM 1814 C TRP A 122 11.065 3.487 6.370 1.00 0.00 C ATOM 1815 O TRP A 122 11.403 4.193 7.321 1.00 0.00 O ATOM 1816 CB TRP A 122 11.768 3.858 3.954 1.00 0.00 C ATOM 1817 CG TRP A 122 11.621 2.521 3.302 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.411 1.445 3.479 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.626 2.124 2.326 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.930 0.381 2.728 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.775 0.733 2.052 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.621 2.825 1.635 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.884 0.062 1.197 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.834 2.182 0.670 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.978 0.802 0.453 1.00 0.00 C ATOM 0 H TRP A 122 11.260 5.988 5.820 1.00 0.00 H new ATOM 0 HA TRP A 122 9.763 3.705 4.704 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.713 4.633 3.190 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.758 3.925 4.406 1.00 0.00 H new ATOM 0 HD1 TRP A 122 13.287 1.414 4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.370 -0.538 2.681 1.00 0.00 H new ATOM 0 HE3 TRP A 122 9.454 3.870 1.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.905 -1.015 1.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 8.117 2.748 0.093 1.00 0.00 H new ATOM 0 HH2 TRP A 122 8.378 0.313 -0.300 1.00 0.00 H new ATOM 1836 N ILE A 123 11.005 2.155 6.460 1.00 0.00 N ATOM 1837 CA ILE A 123 11.445 1.370 7.617 1.00 0.00 C ATOM 1838 C ILE A 123 12.652 0.512 7.258 1.00 0.00 C ATOM 1839 O ILE A 123 13.569 0.411 8.071 1.00 0.00 O ATOM 1840 CB ILE A 123 10.309 0.477 8.182 1.00 0.00 C ATOM 1841 CG1 ILE A 123 9.023 1.279 8.459 1.00 0.00 C ATOM 1842 CG2 ILE A 123 10.815 -0.222 9.458 1.00 0.00 C ATOM 1843 CD1 ILE A 123 7.837 0.444 8.948 1.00 0.00 C ATOM 0 H ILE A 123 10.637 1.575 5.706 1.00 0.00 H new ATOM 0 HA ILE A 123 11.728 2.080 8.395 1.00 0.00 H new ATOM 0 HB ILE A 123 10.046 -0.270 7.433 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.242 2.044 9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.732 1.798 7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.025 -0.853 9.865 1.00 0.00 H new ATOM 0 HG22 ILE A 123 11.682 -0.837 9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 123 11.096 0.528 10.197 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.979 1.094 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.584 -0.304 8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 123 8.103 -0.054 9.880 1.00 0.00 H new ATOM 1855 N GLU A 124 12.629 -0.126 6.082 1.00 0.00 N ATOM 1856 CA GLU A 124 13.653 -1.053 5.584 1.00 0.00 C ATOM 1857 C GLU A 124 13.751 -2.341 6.439 1.00 0.00 C ATOM 1858 O GLU A 124 13.175 -2.400 7.532 1.00 0.00 O ATOM 1859 CB GLU A 124 14.945 -0.274 5.275 1.00 0.00 C ATOM 1860 CG GLU A 124 15.989 -0.141 6.358 1.00 0.00 C ATOM 1861 CD GLU A 124 17.419 -0.479 5.920 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.616 -1.316 5.013 1.00 0.00 O ATOM 1863 OE2 GLU A 124 18.364 0.135 6.467 1.00 0.00 O ATOM 0 H GLU A 124 11.861 -0.005 5.421 1.00 0.00 H new ATOM 0 HA GLU A 124 13.368 -1.479 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 124 15.419 -0.748 4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.659 0.732 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.972 0.881 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.715 -0.792 7.188 1.00 0.00 H new ATOM 1870 N PRO A 125 14.455 -3.394 5.985 1.00 0.00 N ATOM 1871 CA PRO A 125 14.836 -4.526 6.834 1.00 0.00 C ATOM 1872 C PRO A 125 15.839 -4.097 7.929 1.00 0.00 C ATOM 1873 O PRO A 125 15.978 -2.919 8.250 1.00 0.00 O ATOM 1874 CB PRO A 125 15.427 -5.553 5.857 1.00 0.00 C ATOM 1875 CG PRO A 125 16.088 -4.674 4.800 1.00 0.00 C ATOM 1876 CD PRO A 125 15.147 -3.478 4.706 1.00 0.00 C ATOM 0 HA PRO A 125 13.993 -4.941 7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 125 16.148 -6.208 6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 125 14.656 -6.192 5.427 1.00 0.00 H new ATOM 0 HG2 PRO A 125 17.093 -4.374 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 125 16.179 -5.191 3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.703 -2.562 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.437 -3.606 3.889 1.00 0.00 H new