USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=24 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= 0.00136 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 13 TYR OH : rot 150:sc= -0.0158 USER MOD Single : A 14 THR OG1 : rot 89:sc= 1.27 USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.141) USER MOD Single : A 18 THR OG1 : rot -88:sc= 0.679 USER MOD Single : A 21 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.3) USER MOD Single : A 23 GLN : amide:sc= -0.532 K(o=-0.53,f=-6.2!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.52) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 0.469 (180deg=0.401) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0819 USER MOD Single : A 51 THR OG1 : rot -4:sc= 0.278 USER MOD Single : A 53 TYR OH : rot -150:sc= -1.47 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+ -161:sc= -0.0265 (180deg=-0.28) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0488) USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0233) USER MOD Single : A 74 ASN : amide:sc= 1.09 K(o=1.1,f=-0.035) USER MOD Single : A 75 THR OG1 : rot 87:sc= 0.48 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -109:sc= 0.126 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.51) USER MOD Single : A 87 SER OG : rot -113:sc= 1.3 USER MOD Single : A 97 ASN : amide:sc= 0.81 K(o=0.81,f=-0.42) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -118:sc= 0.923 (180deg=-0.058) USER MOD Single : A 117 ASN : amide:sc= -0.434 K(o=-0.43,f=-1.2) USER MOD Single : A 118 SER OG : rot -47:sc= 0.0037 USER MOD Single : A 119 SER OG : rot -10:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.112 8.524 -8.645 1.00 0.00 N ATOM 60 CA GLY A 7 -2.335 9.710 -8.326 1.00 0.00 C ATOM 61 C GLY A 7 -0.872 9.351 -8.146 1.00 0.00 C ATOM 62 O GLY A 7 -0.503 8.176 -8.191 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.440 10.446 -9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.718 10.169 -7.415 1.00 0.00 H new ATOM 66 N SER A 8 -0.036 10.372 -7.997 1.00 0.00 N ATOM 67 CA SER A 8 1.399 10.228 -7.817 1.00 0.00 C ATOM 68 C SER A 8 1.733 9.741 -6.400 1.00 0.00 C ATOM 69 O SER A 8 0.862 9.682 -5.534 1.00 0.00 O ATOM 70 CB SER A 8 2.070 11.580 -8.083 1.00 0.00 C ATOM 71 OG SER A 8 1.468 12.299 -9.148 1.00 0.00 O ATOM 0 H SER A 8 -0.347 11.344 -7.998 1.00 0.00 H new ATOM 0 HA SER A 8 1.772 9.483 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.030 12.184 -7.176 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.123 11.418 -8.312 1.00 0.00 H new ATOM 0 HG SER A 8 1.934 13.152 -9.272 1.00 0.00 H new ATOM 77 N ALA A 9 3.013 9.483 -6.136 1.00 0.00 N ATOM 78 CA ALA A 9 3.515 8.942 -4.879 1.00 0.00 C ATOM 79 C ALA A 9 3.134 9.750 -3.629 1.00 0.00 C ATOM 80 O ALA A 9 2.306 9.306 -2.827 1.00 0.00 O ATOM 81 CB ALA A 9 5.019 8.729 -5.010 1.00 0.00 C ATOM 0 H ALA A 9 3.753 9.652 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 9 3.018 7.987 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.412 8.324 -4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.218 8.029 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.504 9.681 -5.225 1.00 0.00 H new ATOM 87 N LYS A 10 3.679 10.961 -3.450 1.00 0.00 N ATOM 88 CA LYS A 10 3.238 11.846 -2.358 1.00 0.00 C ATOM 89 C LYS A 10 1.737 12.135 -2.445 1.00 0.00 C ATOM 90 O LYS A 10 1.157 12.500 -1.425 1.00 0.00 O ATOM 91 CB LYS A 10 4.048 13.161 -2.341 1.00 0.00 C ATOM 92 CG LYS A 10 5.086 13.231 -1.207 1.00 0.00 C ATOM 93 CD LYS A 10 4.453 13.440 0.182 1.00 0.00 C ATOM 94 CE LYS A 10 4.007 14.875 0.463 1.00 0.00 C ATOM 95 NZ LYS A 10 5.124 15.710 0.943 1.00 0.00 N ATOM 0 H LYS A 10 4.417 11.349 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 10 3.425 11.323 -1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.559 13.276 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.360 14.001 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.669 12.310 -1.199 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.781 14.046 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.592 12.779 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.172 13.140 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.591 15.311 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.211 14.869 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.783 16.676 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.505 15.308 1.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.873 15.736 0.222 1.00 0.00 H new ATOM 109 N ASN A 11 1.110 11.961 -3.611 1.00 0.00 N ATOM 110 CA ASN A 11 -0.325 12.133 -3.828 1.00 0.00 C ATOM 111 C ASN A 11 -1.195 10.998 -3.254 1.00 0.00 C ATOM 112 O ASN A 11 -2.424 11.117 -3.317 1.00 0.00 O ATOM 113 CB ASN A 11 -0.649 12.353 -5.314 1.00 0.00 C ATOM 114 CG ASN A 11 -1.628 13.501 -5.500 1.00 0.00 C ATOM 115 OD1 ASN A 11 -1.256 14.527 -6.062 1.00 0.00 O ATOM 116 ND2 ASN A 11 -2.847 13.374 -5.014 1.00 0.00 N ATOM 0 H ASN A 11 1.607 11.687 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.585 13.030 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.270 12.563 -5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.070 11.441 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.513 14.142 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.124 12.508 -4.553 1.00 0.00 H new ATOM 123 N ALA A 12 -0.617 9.992 -2.586 1.00 0.00 N ATOM 124 CA ALA A 12 -1.332 9.126 -1.640 1.00 0.00 C ATOM 125 C ALA A 12 -0.877 9.366 -0.196 1.00 0.00 C ATOM 126 O ALA A 12 -1.718 9.498 0.692 1.00 0.00 O ATOM 127 CB ALA A 12 -1.187 7.667 -2.061 1.00 0.00 C ATOM 0 H ALA A 12 0.370 9.754 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.392 9.379 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.720 7.030 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.606 7.533 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.132 7.394 -2.071 1.00 0.00 H new ATOM 133 N TYR A 13 0.431 9.490 0.055 1.00 0.00 N ATOM 134 CA TYR A 13 0.959 9.731 1.403 1.00 0.00 C ATOM 135 C TYR A 13 0.358 10.980 2.057 1.00 0.00 C ATOM 136 O TYR A 13 0.093 10.978 3.259 1.00 0.00 O ATOM 137 CB TYR A 13 2.482 9.839 1.331 1.00 0.00 C ATOM 138 CG TYR A 13 3.190 10.133 2.638 1.00 0.00 C ATOM 139 CD1 TYR A 13 3.411 11.455 3.076 1.00 0.00 C ATOM 140 CD2 TYR A 13 3.693 9.065 3.391 1.00 0.00 C ATOM 141 CE1 TYR A 13 4.158 11.697 4.244 1.00 0.00 C ATOM 142 CE2 TYR A 13 4.472 9.292 4.529 1.00 0.00 C ATOM 143 CZ TYR A 13 4.695 10.611 4.968 1.00 0.00 C ATOM 144 OH TYR A 13 5.388 10.792 6.118 1.00 0.00 O ATOM 0 H TYR A 13 1.150 9.427 -0.666 1.00 0.00 H new ATOM 0 HA TYR A 13 0.673 8.888 2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.874 8.904 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.737 10.623 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.006 12.284 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.476 8.051 3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.320 12.709 4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.900 8.460 5.069 1.00 0.00 H new ATOM 0 HH TYR A 13 5.266 10.012 6.699 1.00 0.00 H new ATOM 154 N THR A 14 0.144 12.051 1.293 1.00 0.00 N ATOM 155 CA THR A 14 -0.394 13.284 1.852 1.00 0.00 C ATOM 156 C THR A 14 -1.793 13.039 2.457 1.00 0.00 C ATOM 157 O THR A 14 -2.113 13.554 3.531 1.00 0.00 O ATOM 158 CB THR A 14 -0.368 14.410 0.801 1.00 0.00 C ATOM 159 OG1 THR A 14 0.938 14.551 0.274 1.00 0.00 O ATOM 160 CG2 THR A 14 -0.858 15.744 1.347 1.00 0.00 C ATOM 0 H THR A 14 0.335 12.087 0.292 1.00 0.00 H new ATOM 0 HA THR A 14 0.240 13.618 2.673 1.00 0.00 H new ATOM 0 HB THR A 14 -1.059 14.120 0.010 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.045 13.957 -0.498 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.816 16.497 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.886 15.639 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.223 16.052 2.178 1.00 0.00 H new ATOM 168 N LYS A 15 -2.628 12.220 1.809 1.00 0.00 N ATOM 169 CA LYS A 15 -3.970 11.884 2.280 1.00 0.00 C ATOM 170 C LYS A 15 -3.978 10.797 3.352 1.00 0.00 C ATOM 171 O LYS A 15 -5.042 10.555 3.922 1.00 0.00 O ATOM 172 CB LYS A 15 -4.883 11.495 1.110 1.00 0.00 C ATOM 173 CG LYS A 15 -5.110 12.588 0.054 1.00 0.00 C ATOM 174 CD LYS A 15 -5.568 13.954 0.587 1.00 0.00 C ATOM 175 CE LYS A 15 -5.484 15.032 -0.497 1.00 0.00 C ATOM 176 NZ LYS A 15 -6.207 14.628 -1.724 1.00 0.00 N ATOM 0 H LYS A 15 -2.384 11.766 0.929 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.360 12.787 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.459 10.620 0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.851 11.196 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.182 12.729 -0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.854 12.230 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.593 13.880 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.949 14.241 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.903 15.964 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.439 15.227 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.275 15.440 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.692 13.856 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.163 14.304 -1.473 1.00 0.00 H new ATOM 190 N LEU A 16 -2.838 10.179 3.681 1.00 0.00 N ATOM 191 CA LEU A 16 -2.699 9.517 4.971 1.00 0.00 C ATOM 192 C LEU A 16 -2.547 10.609 6.024 1.00 0.00 C ATOM 193 O LEU A 16 -3.295 10.639 6.996 1.00 0.00 O ATOM 194 CB LEU A 16 -1.470 8.599 5.028 1.00 0.00 C ATOM 195 CG LEU A 16 -1.643 7.158 4.535 1.00 0.00 C ATOM 196 CD1 LEU A 16 -0.262 6.510 4.662 1.00 0.00 C ATOM 197 CD2 LEU A 16 -2.725 6.373 5.277 1.00 0.00 C ATOM 0 H LEU A 16 -2.015 10.126 3.080 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.576 8.893 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.676 9.062 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.124 8.562 6.061 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.999 7.154 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.314 5.475 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.454 7.056 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.058 6.537 5.704 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.786 5.364 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.476 6.322 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.686 6.872 5.154 1.00 0.00 H new ATOM 209 N GLY A 17 -1.553 11.489 5.872 1.00 0.00 N ATOM 210 CA GLY A 17 -1.082 12.382 6.928 1.00 0.00 C ATOM 211 C GLY A 17 -2.001 13.560 7.255 1.00 0.00 C ATOM 212 O GLY A 17 -1.538 14.554 7.816 1.00 0.00 O ATOM 0 H GLY A 17 -1.046 11.601 4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.934 11.796 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.107 12.774 6.640 1.00 0.00 H new ATOM 216 N THR A 18 -3.270 13.489 6.886 1.00 0.00 N ATOM 217 CA THR A 18 -4.256 14.551 7.029 1.00 0.00 C ATOM 218 C THR A 18 -5.567 14.037 7.633 1.00 0.00 C ATOM 219 O THR A 18 -6.519 14.800 7.809 1.00 0.00 O ATOM 220 CB THR A 18 -4.485 15.157 5.642 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.586 14.158 4.643 1.00 0.00 O ATOM 222 CG2 THR A 18 -3.333 16.062 5.207 1.00 0.00 C ATOM 0 H THR A 18 -3.660 12.649 6.458 1.00 0.00 H new ATOM 0 HA THR A 18 -3.885 15.308 7.720 1.00 0.00 H new ATOM 0 HB THR A 18 -5.411 15.724 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.693 13.950 4.297 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.543 16.467 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.224 16.880 5.919 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.409 15.485 5.174 1.00 0.00 H new ATOM 230 N ASP A 19 -5.640 12.735 7.903 1.00 0.00 N ATOM 231 CA ASP A 19 -6.853 12.018 8.249 1.00 0.00 C ATOM 232 C ASP A 19 -6.530 10.925 9.251 1.00 0.00 C ATOM 233 O ASP A 19 -5.383 10.482 9.349 1.00 0.00 O ATOM 234 CB ASP A 19 -7.409 11.379 6.973 1.00 0.00 C ATOM 235 CG ASP A 19 -8.261 12.350 6.169 1.00 0.00 C ATOM 236 OD1 ASP A 19 -9.090 13.078 6.748 1.00 0.00 O ATOM 237 OD2 ASP A 19 -8.228 12.295 4.917 1.00 0.00 O ATOM 0 H ASP A 19 -4.818 12.131 7.884 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.581 12.701 8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.583 11.026 6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.006 10.506 7.236 1.00 0.00 H new ATOM 242 N ASP A 20 -7.554 10.433 9.945 1.00 0.00 N ATOM 243 CA ASP A 20 -7.469 9.259 10.809 1.00 0.00 C ATOM 244 C ASP A 20 -8.189 8.061 10.177 1.00 0.00 C ATOM 245 O ASP A 20 -7.844 6.912 10.464 1.00 0.00 O ATOM 246 CB ASP A 20 -8.028 9.583 12.198 1.00 0.00 C ATOM 247 CG ASP A 20 -7.756 8.447 13.183 1.00 0.00 C ATOM 248 OD1 ASP A 20 -6.600 7.971 13.269 1.00 0.00 O ATOM 249 OD2 ASP A 20 -8.683 8.029 13.907 1.00 0.00 O ATOM 0 H ASP A 20 -8.485 10.849 9.921 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.421 8.983 10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.578 10.504 12.568 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.102 9.758 12.129 1.00 0.00 H new ATOM 254 N ASN A 21 -9.150 8.304 9.277 1.00 0.00 N ATOM 255 CA ASN A 21 -9.876 7.242 8.573 1.00 0.00 C ATOM 256 C ASN A 21 -9.036 6.660 7.446 1.00 0.00 C ATOM 257 O ASN A 21 -9.395 5.628 6.896 1.00 0.00 O ATOM 258 CB ASN A 21 -11.199 7.754 7.964 1.00 0.00 C ATOM 259 CG ASN A 21 -12.345 7.858 8.960 1.00 0.00 C ATOM 260 OD1 ASN A 21 -12.246 7.424 10.107 1.00 0.00 O ATOM 261 ND2 ASN A 21 -13.469 8.423 8.563 1.00 0.00 N ATOM 0 H ASN A 21 -9.446 9.245 9.017 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.092 6.476 9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.027 8.735 7.522 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.495 7.087 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.256 8.500 9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.551 8.783 7.612 1.00 0.00 H new ATOM 268 N ALA A 22 -7.954 7.316 7.036 1.00 0.00 N ATOM 269 CA ALA A 22 -7.161 6.842 5.917 1.00 0.00 C ATOM 270 C ALA A 22 -6.483 5.509 6.282 1.00 0.00 C ATOM 271 O ALA A 22 -6.384 5.187 7.464 1.00 0.00 O ATOM 272 CB ALA A 22 -6.186 7.956 5.550 1.00 0.00 C ATOM 0 H ALA A 22 -7.611 8.176 7.464 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.770 6.624 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.569 7.638 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.743 8.851 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.548 8.177 6.405 1.00 0.00 H new ATOM 278 N GLN A 23 -5.962 4.744 5.320 1.00 0.00 N ATOM 279 CA GLN A 23 -5.167 3.533 5.547 1.00 0.00 C ATOM 280 C GLN A 23 -4.212 3.268 4.382 1.00 0.00 C ATOM 281 O GLN A 23 -4.294 3.931 3.352 1.00 0.00 O ATOM 282 CB GLN A 23 -6.073 2.301 5.769 1.00 0.00 C ATOM 283 CG GLN A 23 -6.287 1.915 7.242 1.00 0.00 C ATOM 284 CD GLN A 23 -5.007 1.447 7.931 1.00 0.00 C ATOM 285 OE1 GLN A 23 -3.895 1.588 7.432 1.00 0.00 O ATOM 286 NE2 GLN A 23 -5.144 0.876 9.111 1.00 0.00 N ATOM 0 H GLN A 23 -6.085 4.956 4.330 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.579 3.702 6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.044 2.495 5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.640 1.450 5.244 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.690 2.772 7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.034 1.123 7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.072 0.763 9.518 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -4.322 0.547 9.617 1.00 0.00 H new ATOM 295 N LEU A 24 -3.342 2.258 4.520 1.00 0.00 N ATOM 296 CA LEU A 24 -2.361 1.863 3.511 1.00 0.00 C ATOM 297 C LEU A 24 -2.364 0.336 3.356 1.00 0.00 C ATOM 298 O LEU A 24 -2.272 -0.370 4.361 1.00 0.00 O ATOM 299 CB LEU A 24 -0.993 2.392 3.966 1.00 0.00 C ATOM 300 CG LEU A 24 0.093 2.607 2.904 1.00 0.00 C ATOM 301 CD1 LEU A 24 0.430 1.368 2.065 1.00 0.00 C ATOM 302 CD2 LEU A 24 -0.268 3.748 1.956 1.00 0.00 C ATOM 0 H LEU A 24 -3.304 1.681 5.360 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.601 2.282 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.156 3.343 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.599 1.699 4.709 1.00 0.00 H new ATOM 0 HG LEU A 24 0.981 2.853 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.207 1.618 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.785 0.571 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.462 1.033 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.524 3.872 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.205 3.517 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.381 4.671 2.524 1.00 0.00 H new ATOM 314 N LEU A 25 -2.474 -0.164 2.119 1.00 0.00 N ATOM 315 CA LEU A 25 -2.463 -1.594 1.776 1.00 0.00 C ATOM 316 C LEU A 25 -1.284 -1.898 0.864 1.00 0.00 C ATOM 317 O LEU A 25 -1.353 -1.786 -0.359 1.00 0.00 O ATOM 318 CB LEU A 25 -3.805 -2.051 1.157 1.00 0.00 C ATOM 319 CG LEU A 25 -4.374 -3.399 1.625 1.00 0.00 C ATOM 320 CD1 LEU A 25 -3.706 -4.602 0.969 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.325 -3.567 3.130 1.00 0.00 C ATOM 0 H LEU A 25 -2.577 0.436 1.300 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.343 -2.167 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.550 -1.282 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.680 -2.095 0.075 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.416 -3.371 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.158 -5.520 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.841 -4.549 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.641 -4.599 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.740 -4.538 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.291 -3.507 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.909 -2.778 3.603 1.00 0.00 H new ATOM 333 N ASP A 26 -0.167 -2.255 1.470 1.00 0.00 N ATOM 334 CA ASP A 26 1.037 -2.718 0.835 1.00 0.00 C ATOM 335 C ASP A 26 0.776 -4.100 0.221 1.00 0.00 C ATOM 336 O ASP A 26 0.816 -5.123 0.911 1.00 0.00 O ATOM 337 CB ASP A 26 2.226 -2.681 1.828 1.00 0.00 C ATOM 338 CG ASP A 26 1.993 -2.875 3.339 1.00 0.00 C ATOM 339 OD1 ASP A 26 1.003 -2.363 3.879 1.00 0.00 O ATOM 340 OD2 ASP A 26 2.880 -3.422 4.042 1.00 0.00 O ATOM 0 H ASP A 26 -0.079 -2.224 2.486 1.00 0.00 H new ATOM 0 HA ASP A 26 1.324 -2.055 0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.933 -3.448 1.511 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.721 -1.718 1.700 1.00 0.00 H new ATOM 345 N ILE A 27 0.511 -4.118 -1.094 1.00 0.00 N ATOM 346 CA ILE A 27 0.251 -5.317 -1.896 1.00 0.00 C ATOM 347 C ILE A 27 1.521 -5.892 -2.546 1.00 0.00 C ATOM 348 O ILE A 27 1.423 -6.786 -3.399 1.00 0.00 O ATOM 349 CB ILE A 27 -0.869 -5.102 -2.938 1.00 0.00 C ATOM 350 CG1 ILE A 27 -0.506 -4.097 -4.049 1.00 0.00 C ATOM 351 CG2 ILE A 27 -2.197 -4.782 -2.237 1.00 0.00 C ATOM 352 CD1 ILE A 27 -1.389 -4.269 -5.296 1.00 0.00 C ATOM 0 H ILE A 27 0.471 -3.262 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.106 -6.066 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.994 -6.043 -3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.612 -3.082 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.540 -4.226 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.976 -4.633 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.473 -5.611 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.086 -3.875 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.097 -3.540 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.263 -5.276 -5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.434 -4.114 -5.026 1.00 0.00 H new ATOM 364 N ARG A 28 2.707 -5.368 -2.220 1.00 0.00 N ATOM 365 CA ARG A 28 3.979 -5.948 -2.660 1.00 0.00 C ATOM 366 C ARG A 28 4.146 -7.341 -2.041 1.00 0.00 C ATOM 367 O ARG A 28 3.458 -7.668 -1.073 1.00 0.00 O ATOM 368 CB ARG A 28 5.150 -5.031 -2.277 1.00 0.00 C ATOM 369 CG ARG A 28 5.006 -3.642 -2.913 1.00 0.00 C ATOM 370 CD ARG A 28 6.284 -2.810 -2.754 1.00 0.00 C ATOM 371 NE ARG A 28 6.407 -2.339 -1.374 1.00 0.00 N ATOM 372 CZ ARG A 28 7.357 -2.666 -0.492 1.00 0.00 C ATOM 373 NH1 ARG A 28 8.421 -3.398 -0.792 1.00 0.00 N ATOM 374 NH2 ARG A 28 7.197 -2.278 0.761 1.00 0.00 N ATOM 0 H ARG A 28 2.812 -4.532 -1.645 1.00 0.00 H new ATOM 0 HA ARG A 28 3.975 -6.044 -3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.197 -4.933 -1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.088 -5.484 -2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.771 -3.749 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.170 -3.116 -2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.154 -3.410 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.262 -1.960 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 28 5.690 -1.690 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.549 -3.746 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.111 -3.613 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 28 6.368 -1.747 1.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.902 -2.510 1.461 1.00 0.00 H new ATOM 388 N ALA A 29 5.050 -8.160 -2.589 1.00 0.00 N ATOM 389 CA ALA A 29 5.294 -9.511 -2.102 1.00 0.00 C ATOM 390 C ALA A 29 5.694 -9.503 -0.636 1.00 0.00 C ATOM 391 O ALA A 29 6.383 -8.599 -0.171 1.00 0.00 O ATOM 392 CB ALA A 29 6.387 -10.193 -2.921 1.00 0.00 C ATOM 0 H ALA A 29 5.632 -7.898 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 29 4.363 -10.068 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.552 -11.201 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.079 -10.246 -3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.311 -9.620 -2.844 1.00 0.00 H new ATOM 398 N THR A 30 5.376 -10.591 0.062 1.00 0.00 N ATOM 399 CA THR A 30 5.744 -10.756 1.456 1.00 0.00 C ATOM 400 C THR A 30 7.255 -10.608 1.675 1.00 0.00 C ATOM 401 O THR A 30 7.666 -10.028 2.681 1.00 0.00 O ATOM 402 CB THR A 30 5.208 -12.101 1.950 1.00 0.00 C ATOM 403 OG1 THR A 30 3.792 -12.081 1.893 1.00 0.00 O ATOM 404 CG2 THR A 30 5.612 -12.353 3.396 1.00 0.00 C ATOM 0 H THR A 30 4.857 -11.378 -0.327 1.00 0.00 H new ATOM 0 HA THR A 30 5.290 -9.959 2.045 1.00 0.00 H new ATOM 0 HB THR A 30 5.622 -12.886 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.440 -12.940 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.218 -13.316 3.721 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.699 -12.361 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.209 -11.563 4.029 1.00 0.00 H new ATOM 412 N ALA A 31 8.087 -11.117 0.760 1.00 0.00 N ATOM 413 CA ALA A 31 9.526 -10.987 0.928 1.00 0.00 C ATOM 414 C ALA A 31 10.044 -9.624 0.503 1.00 0.00 C ATOM 415 O ALA A 31 11.140 -9.246 0.911 1.00 0.00 O ATOM 416 CB ALA A 31 10.265 -12.049 0.152 1.00 0.00 C ATOM 0 H ALA A 31 7.792 -11.610 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 31 9.712 -11.109 1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.338 -11.925 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.962 -13.035 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.029 -11.955 -0.908 1.00 0.00 H new ATOM 422 N ASP A 32 9.276 -8.866 -0.280 1.00 0.00 N ATOM 423 CA ASP A 32 9.631 -7.497 -0.625 1.00 0.00 C ATOM 424 C ASP A 32 9.770 -6.690 0.670 1.00 0.00 C ATOM 425 O ASP A 32 10.650 -5.842 0.792 1.00 0.00 O ATOM 426 CB ASP A 32 8.609 -6.895 -1.611 1.00 0.00 C ATOM 427 CG ASP A 32 9.305 -6.168 -2.750 1.00 0.00 C ATOM 428 OD1 ASP A 32 9.986 -6.884 -3.524 1.00 0.00 O ATOM 429 OD2 ASP A 32 9.054 -4.956 -2.901 1.00 0.00 O ATOM 0 H ASP A 32 8.397 -9.184 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 32 10.589 -7.470 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.978 -7.688 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.953 -6.204 -1.082 1.00 0.00 H new ATOM 434 N PHE A 33 9.019 -7.050 1.718 1.00 0.00 N ATOM 435 CA PHE A 33 9.108 -6.444 3.047 1.00 0.00 C ATOM 436 C PHE A 33 10.357 -6.827 3.840 1.00 0.00 C ATOM 437 O PHE A 33 10.522 -6.388 4.983 1.00 0.00 O ATOM 438 CB PHE A 33 7.843 -6.807 3.820 1.00 0.00 C ATOM 439 CG PHE A 33 6.576 -6.544 3.035 1.00 0.00 C ATOM 440 CD1 PHE A 33 6.428 -5.348 2.306 1.00 0.00 C ATOM 441 CD2 PHE A 33 5.570 -7.523 2.985 1.00 0.00 C ATOM 442 CE1 PHE A 33 5.251 -5.100 1.588 1.00 0.00 C ATOM 443 CE2 PHE A 33 4.368 -7.250 2.309 1.00 0.00 C ATOM 444 CZ PHE A 33 4.199 -6.013 1.666 1.00 0.00 C ATOM 0 H PHE A 33 8.317 -7.788 1.661 1.00 0.00 H new ATOM 0 HA PHE A 33 9.194 -5.366 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.882 -7.861 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.814 -6.236 4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.225 -4.619 2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.719 -8.480 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.159 -4.212 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.579 -7.987 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.244 -5.766 1.227 1.00 0.00 H new ATOM 454 N ARG A 34 11.222 -7.659 3.264 1.00 0.00 N ATOM 455 CA ARG A 34 12.413 -8.213 3.888 1.00 0.00 C ATOM 456 C ARG A 34 13.631 -7.785 3.081 1.00 0.00 C ATOM 457 O ARG A 34 14.606 -7.368 3.677 1.00 0.00 O ATOM 458 CB ARG A 34 12.310 -9.745 3.982 1.00 0.00 C ATOM 459 CG ARG A 34 10.972 -10.231 4.569 1.00 0.00 C ATOM 460 CD ARG A 34 10.845 -11.754 4.551 1.00 0.00 C ATOM 461 NE ARG A 34 11.643 -12.406 5.601 1.00 0.00 N ATOM 462 CZ ARG A 34 11.342 -13.585 6.156 1.00 0.00 C ATOM 463 NH1 ARG A 34 10.395 -14.354 5.630 1.00 0.00 N ATOM 464 NH2 ARG A 34 11.989 -13.998 7.234 1.00 0.00 N ATOM 0 H ARG A 34 11.102 -7.978 2.303 1.00 0.00 H new ATOM 0 HA ARG A 34 12.510 -7.835 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.439 -10.172 2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.127 -10.120 4.599 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.877 -9.874 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.150 -9.794 4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.797 -12.028 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.160 -12.129 3.577 1.00 0.00 H new ATOM 0 HE ARG A 34 12.482 -11.927 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.892 -14.046 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.171 -15.252 6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.720 -13.417 7.644 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.757 -14.898 7.655 1.00 0.00 H new ATOM 478 N GLN A 35 13.567 -7.818 1.749 1.00 0.00 N ATOM 479 CA GLN A 35 14.692 -7.414 0.913 1.00 0.00 C ATOM 480 C GLN A 35 14.659 -5.940 0.510 1.00 0.00 C ATOM 481 O GLN A 35 15.716 -5.373 0.248 1.00 0.00 O ATOM 482 CB GLN A 35 14.795 -8.351 -0.290 1.00 0.00 C ATOM 483 CG GLN A 35 13.581 -8.393 -1.226 1.00 0.00 C ATOM 484 CD GLN A 35 13.441 -9.781 -1.850 1.00 0.00 C ATOM 485 OE1 GLN A 35 13.100 -10.751 -1.174 1.00 0.00 O ATOM 486 NE2 GLN A 35 13.727 -9.915 -3.128 1.00 0.00 N ATOM 0 H GLN A 35 12.745 -8.122 1.228 1.00 0.00 H new ATOM 0 HA GLN A 35 15.599 -7.507 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.668 -8.061 -0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.978 -9.361 0.078 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.677 -8.143 -0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.691 -7.644 -2.010 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.008 -9.102 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.667 -10.832 -3.571 1.00 0.00 H new ATOM 495 N VAL A 36 13.481 -5.314 0.501 1.00 0.00 N ATOM 496 CA VAL A 36 13.303 -3.883 0.236 1.00 0.00 C ATOM 497 C VAL A 36 12.867 -3.165 1.521 1.00 0.00 C ATOM 498 O VAL A 36 13.380 -2.098 1.850 1.00 0.00 O ATOM 499 CB VAL A 36 12.309 -3.646 -0.928 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.393 -2.195 -1.422 1.00 0.00 C ATOM 501 CG2 VAL A 36 12.544 -4.586 -2.121 1.00 0.00 C ATOM 0 H VAL A 36 12.602 -5.799 0.682 1.00 0.00 H new ATOM 0 HA VAL A 36 14.257 -3.461 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 36 11.319 -3.857 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.688 -2.048 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.147 -1.517 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.404 -1.988 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.816 -4.370 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 36 13.551 -4.435 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.432 -5.621 -1.797 1.00 0.00 H new ATOM 511 N GLY A 37 11.960 -3.755 2.306 1.00 0.00 N ATOM 512 CA GLY A 37 11.399 -3.138 3.503 1.00 0.00 C ATOM 513 C GLY A 37 9.973 -2.669 3.246 1.00 0.00 C ATOM 514 O GLY A 37 9.339 -3.120 2.292 1.00 0.00 O ATOM 0 H GLY A 37 11.592 -4.688 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.410 -3.852 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.017 -2.293 3.806 1.00 0.00 H new ATOM 518 N SER A 38 9.422 -1.844 4.139 1.00 0.00 N ATOM 519 CA SER A 38 8.003 -1.485 4.137 1.00 0.00 C ATOM 520 C SER A 38 7.838 0.041 4.336 1.00 0.00 C ATOM 521 O SER A 38 8.718 0.645 4.936 1.00 0.00 O ATOM 522 CB SER A 38 7.267 -2.329 5.201 1.00 0.00 C ATOM 523 OG SER A 38 7.836 -3.618 5.386 1.00 0.00 O ATOM 0 H SER A 38 9.953 -1.403 4.890 1.00 0.00 H new ATOM 0 HA SER A 38 7.548 -1.714 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.278 -1.794 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.222 -2.439 4.909 1.00 0.00 H new ATOM 0 HG SER A 38 7.330 -4.104 6.071 1.00 0.00 H new ATOM 529 N PRO A 39 6.749 0.673 3.873 1.00 0.00 N ATOM 530 CA PRO A 39 6.471 2.105 3.953 1.00 0.00 C ATOM 531 C PRO A 39 6.182 2.575 5.382 1.00 0.00 C ATOM 532 O PRO A 39 5.318 2.017 6.067 1.00 0.00 O ATOM 533 CB PRO A 39 5.285 2.324 3.004 1.00 0.00 C ATOM 534 CG PRO A 39 4.590 0.962 2.886 1.00 0.00 C ATOM 535 CD PRO A 39 5.699 -0.010 3.167 1.00 0.00 C ATOM 0 HA PRO A 39 7.336 2.700 3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.603 3.078 3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.623 2.677 2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.775 0.862 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.163 0.811 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.327 -0.845 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.081 -0.426 2.235 1.00 0.00 H new ATOM 543 N ASN A 40 6.932 3.577 5.862 1.00 0.00 N ATOM 544 CA ASN A 40 6.835 4.059 7.241 1.00 0.00 C ATOM 545 C ASN A 40 5.775 5.143 7.352 1.00 0.00 C ATOM 546 O ASN A 40 5.900 6.213 6.763 1.00 0.00 O ATOM 547 CB ASN A 40 8.183 4.556 7.773 1.00 0.00 C ATOM 548 CG ASN A 40 7.991 5.299 9.084 1.00 0.00 C ATOM 549 OD1 ASN A 40 7.800 6.509 9.100 1.00 0.00 O ATOM 550 ND2 ASN A 40 7.926 4.582 10.188 1.00 0.00 N ATOM 0 H ASN A 40 7.623 4.075 5.301 1.00 0.00 H new ATOM 0 HA ASN A 40 6.538 3.215 7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.857 3.712 7.921 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.651 5.213 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.713 5.033 11.078 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.088 3.576 10.153 1.00 0.00 H new ATOM 557 N ILE A 41 4.720 4.865 8.111 1.00 0.00 N ATOM 558 CA ILE A 41 3.572 5.754 8.265 1.00 0.00 C ATOM 559 C ILE A 41 2.999 5.743 9.695 1.00 0.00 C ATOM 560 O ILE A 41 1.949 6.336 9.950 1.00 0.00 O ATOM 561 CB ILE A 41 2.516 5.390 7.200 1.00 0.00 C ATOM 562 CG1 ILE A 41 2.096 3.903 7.265 1.00 0.00 C ATOM 563 CG2 ILE A 41 3.007 5.731 5.775 1.00 0.00 C ATOM 564 CD1 ILE A 41 0.640 3.739 6.830 1.00 0.00 C ATOM 0 H ILE A 41 4.637 4.001 8.646 1.00 0.00 H new ATOM 0 HA ILE A 41 3.898 6.782 8.105 1.00 0.00 H new ATOM 0 HB ILE A 41 1.639 5.996 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.743 3.308 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.223 3.527 8.280 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.238 5.461 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.211 6.800 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.919 5.173 5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.361 2.687 6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.005 4.318 7.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.524 4.095 5.806 1.00 0.00 H new ATOM 576 N LYS A 42 3.641 5.022 10.623 1.00 0.00 N ATOM 577 CA LYS A 42 3.074 4.711 11.934 1.00 0.00 C ATOM 578 C LYS A 42 2.857 5.963 12.784 1.00 0.00 C ATOM 579 O LYS A 42 1.897 6.008 13.551 1.00 0.00 O ATOM 580 CB LYS A 42 3.943 3.645 12.626 1.00 0.00 C ATOM 581 CG LYS A 42 3.153 2.448 13.177 1.00 0.00 C ATOM 582 CD LYS A 42 2.233 2.811 14.354 1.00 0.00 C ATOM 583 CE LYS A 42 1.796 1.566 15.146 1.00 0.00 C ATOM 584 NZ LYS A 42 0.412 1.115 14.896 1.00 0.00 N ATOM 0 H LYS A 42 4.575 4.637 10.481 1.00 0.00 H new ATOM 0 HA LYS A 42 2.076 4.293 11.800 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.685 3.280 11.916 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.489 4.113 13.445 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.552 2.019 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.853 1.677 13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.751 3.502 15.020 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.351 3.331 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.476 0.748 14.910 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.906 1.775 16.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.212 0.273 15.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.252 1.875 15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.300 0.879 13.889 1.00 0.00 H new ATOM 598 N GLY A 43 3.680 6.993 12.612 1.00 0.00 N ATOM 599 CA GLY A 43 3.576 8.283 13.273 1.00 0.00 C ATOM 600 C GLY A 43 2.629 9.239 12.551 1.00 0.00 C ATOM 601 O GLY A 43 2.287 10.274 13.120 1.00 0.00 O ATOM 0 H GLY A 43 4.476 6.945 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.228 8.136 14.295 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.566 8.736 13.335 1.00 0.00 H new ATOM 605 N LEU A 44 2.167 8.922 11.334 1.00 0.00 N ATOM 606 CA LEU A 44 1.048 9.639 10.719 1.00 0.00 C ATOM 607 C LEU A 44 -0.283 9.185 11.327 1.00 0.00 C ATOM 608 O LEU A 44 -1.287 9.876 11.153 1.00 0.00 O ATOM 609 CB LEU A 44 0.924 9.353 9.212 1.00 0.00 C ATOM 610 CG LEU A 44 2.109 9.595 8.281 1.00 0.00 C ATOM 611 CD1 LEU A 44 1.704 9.151 6.868 1.00 0.00 C ATOM 612 CD2 LEU A 44 2.486 11.077 8.263 1.00 0.00 C ATOM 0 H LEU A 44 2.552 8.174 10.758 1.00 0.00 H new ATOM 0 HA LEU A 44 1.249 10.696 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.638 8.307 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.093 9.950 8.838 1.00 0.00 H new ATOM 0 HG LEU A 44 2.972 9.028 8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.536 9.314 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.446 8.092 6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.842 9.731 6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.333 11.229 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.637 11.664 7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.757 11.396 9.269 1.00 0.00 H new ATOM 624 N GLY A 45 -0.330 7.995 11.933 1.00 0.00 N ATOM 625 CA GLY A 45 -1.566 7.352 12.349 1.00 0.00 C ATOM 626 C GLY A 45 -1.346 5.911 12.771 1.00 0.00 C ATOM 627 O GLY A 45 -1.808 5.499 13.832 1.00 0.00 O ATOM 0 H GLY A 45 0.504 7.449 12.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.003 7.909 13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.284 7.384 11.530 1.00 0.00 H new ATOM 631 N LYS A 46 -0.756 5.092 11.900 1.00 0.00 N ATOM 632 CA LYS A 46 -0.915 3.642 11.954 1.00 0.00 C ATOM 633 C LYS A 46 0.021 3.013 10.945 1.00 0.00 C ATOM 634 O LYS A 46 0.576 3.708 10.102 1.00 0.00 O ATOM 635 CB LYS A 46 -2.375 3.245 11.664 1.00 0.00 C ATOM 636 CG LYS A 46 -2.801 3.153 10.195 1.00 0.00 C ATOM 637 CD LYS A 46 -2.649 4.402 9.319 1.00 0.00 C ATOM 638 CE LYS A 46 -3.995 4.884 8.796 1.00 0.00 C ATOM 639 NZ LYS A 46 -4.970 5.323 9.819 1.00 0.00 N ATOM 0 H LYS A 46 -0.157 5.415 11.140 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.668 3.284 12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.560 2.277 12.130 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.025 3.966 12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.229 2.349 9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.849 2.854 10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.176 5.197 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.989 4.181 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.820 5.713 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.446 4.079 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.903 5.451 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.037 4.603 10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.657 6.224 10.233 1.00 0.00 H new ATOM 653 N LYS A 47 0.272 1.717 11.049 1.00 0.00 N ATOM 654 CA LYS A 47 1.131 0.976 10.199 1.00 0.00 C ATOM 655 C LYS A 47 0.279 0.537 9.027 1.00 0.00 C ATOM 656 O LYS A 47 -0.919 0.279 9.167 1.00 0.00 O ATOM 657 CB LYS A 47 1.647 -0.211 11.031 1.00 0.00 C ATOM 658 CG LYS A 47 3.148 -0.365 10.869 1.00 0.00 C ATOM 659 CD LYS A 47 3.491 -0.650 9.427 1.00 0.00 C ATOM 660 CE LYS A 47 4.618 -1.663 9.376 1.00 0.00 C ATOM 661 NZ LYS A 47 4.169 -3.064 9.311 1.00 0.00 N ATOM 0 H LYS A 47 -0.152 1.141 11.776 1.00 0.00 H new ATOM 0 HA LYS A 47 1.990 1.531 9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.403 -0.058 12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.146 -1.127 10.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.652 0.544 11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.508 -1.175 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.617 -1.034 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.789 0.269 8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.241 -1.453 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.246 -1.535 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.997 -3.693 9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.599 -3.285 10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.594 -3.205 8.456 1.00 0.00 H new ATOM 675 N ALA A 48 0.939 0.423 7.893 1.00 0.00 N ATOM 676 CA ALA A 48 0.361 -0.161 6.702 1.00 0.00 C ATOM 677 C ALA A 48 -0.007 -1.635 6.960 1.00 0.00 C ATOM 678 O ALA A 48 0.371 -2.200 7.997 1.00 0.00 O ATOM 679 CB ALA A 48 1.368 0.045 5.572 1.00 0.00 C ATOM 0 H ALA A 48 1.902 0.737 7.772 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.576 0.317 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.973 -0.382 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.545 1.111 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.306 -0.448 5.827 1.00 0.00 H new ATOM 685 N VAL A 49 -0.768 -2.259 6.065 1.00 0.00 N ATOM 686 CA VAL A 49 -1.207 -3.645 6.150 1.00 0.00 C ATOM 687 C VAL A 49 -0.628 -4.426 4.969 1.00 0.00 C ATOM 688 O VAL A 49 -1.133 -4.395 3.850 1.00 0.00 O ATOM 689 CB VAL A 49 -2.742 -3.715 6.228 1.00 0.00 C ATOM 690 CG1 VAL A 49 -3.204 -5.181 6.144 1.00 0.00 C ATOM 691 CG2 VAL A 49 -3.313 -3.069 7.499 1.00 0.00 C ATOM 0 H VAL A 49 -1.109 -1.791 5.226 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.835 -4.109 7.064 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.124 -3.145 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.292 -5.223 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.872 -5.614 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.776 -5.745 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.400 -3.152 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.915 -3.579 8.376 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.030 -2.017 7.531 1.00 0.00 H new ATOM 701 N SER A 50 0.426 -5.183 5.241 1.00 0.00 N ATOM 702 CA SER A 50 1.073 -6.037 4.266 1.00 0.00 C ATOM 703 C SER A 50 0.118 -7.170 3.909 1.00 0.00 C ATOM 704 O SER A 50 -0.170 -8.014 4.768 1.00 0.00 O ATOM 705 CB SER A 50 2.386 -6.549 4.864 1.00 0.00 C ATOM 706 OG SER A 50 2.314 -6.787 6.266 1.00 0.00 O ATOM 0 H SER A 50 0.860 -5.218 6.163 1.00 0.00 H new ATOM 0 HA SER A 50 1.311 -5.497 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.670 -7.473 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.174 -5.823 4.666 1.00 0.00 H new ATOM 0 HG SER A 50 3.180 -7.113 6.587 1.00 0.00 H new ATOM 712 N THR A 51 -0.384 -7.218 2.680 1.00 0.00 N ATOM 713 CA THR A 51 -1.104 -8.359 2.128 1.00 0.00 C ATOM 714 C THR A 51 -0.806 -8.368 0.631 1.00 0.00 C ATOM 715 O THR A 51 -1.432 -7.613 -0.107 1.00 0.00 O ATOM 716 CB THR A 51 -2.620 -8.253 2.401 1.00 0.00 C ATOM 717 OG1 THR A 51 -2.894 -8.148 3.783 1.00 0.00 O ATOM 718 CG2 THR A 51 -3.369 -9.479 1.872 1.00 0.00 C ATOM 0 H THR A 51 -0.299 -6.443 2.022 1.00 0.00 H new ATOM 0 HA THR A 51 -0.782 -9.289 2.596 1.00 0.00 H new ATOM 0 HB THR A 51 -2.958 -7.354 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.060 -8.237 4.290 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.434 -9.373 2.080 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.216 -9.562 0.796 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.991 -10.376 2.363 1.00 0.00 H new ATOM 726 N VAL A 52 0.141 -9.197 0.179 1.00 0.00 N ATOM 727 CA VAL A 52 0.401 -9.347 -1.249 1.00 0.00 C ATOM 728 C VAL A 52 -0.905 -9.716 -1.959 1.00 0.00 C ATOM 729 O VAL A 52 -1.595 -10.657 -1.551 1.00 0.00 O ATOM 730 CB VAL A 52 1.569 -10.313 -1.523 1.00 0.00 C ATOM 731 CG1 VAL A 52 1.460 -11.688 -0.869 1.00 0.00 C ATOM 732 CG2 VAL A 52 1.814 -10.480 -3.028 1.00 0.00 C ATOM 0 H VAL A 52 0.734 -9.769 0.780 1.00 0.00 H new ATOM 0 HA VAL A 52 0.739 -8.399 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 52 2.420 -9.827 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.335 -12.285 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.408 -11.573 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.560 -12.190 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.645 -11.168 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.917 -10.879 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.055 -9.512 -3.467 1.00 0.00 H new ATOM 742 N TYR A 53 -1.269 -8.922 -2.965 1.00 0.00 N ATOM 743 CA TYR A 53 -2.457 -9.158 -3.762 1.00 0.00 C ATOM 744 C TYR A 53 -2.213 -10.305 -4.734 1.00 0.00 C ATOM 745 O TYR A 53 -1.094 -10.509 -5.208 1.00 0.00 O ATOM 746 CB TYR A 53 -2.860 -7.876 -4.494 1.00 0.00 C ATOM 747 CG TYR A 53 -3.972 -8.077 -5.502 1.00 0.00 C ATOM 748 CD1 TYR A 53 -5.229 -8.538 -5.084 1.00 0.00 C ATOM 749 CD2 TYR A 53 -3.737 -7.841 -6.863 1.00 0.00 C ATOM 750 CE1 TYR A 53 -6.258 -8.768 -6.011 1.00 0.00 C ATOM 751 CE2 TYR A 53 -4.764 -8.053 -7.802 1.00 0.00 C ATOM 752 CZ TYR A 53 -6.020 -8.525 -7.379 1.00 0.00 C ATOM 753 OH TYR A 53 -6.993 -8.747 -8.297 1.00 0.00 O ATOM 0 H TYR A 53 -0.741 -8.095 -3.246 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.282 -9.443 -3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.175 -7.133 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.987 -7.470 -5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.408 -8.719 -4.034 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.768 -7.496 -7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.221 -9.127 -5.680 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.588 -7.853 -8.849 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.585 -9.000 -9.151 1.00 0.00 H new ATOM 763 N ASN A 54 -3.286 -11.032 -5.047 1.00 0.00 N ATOM 764 CA ASN A 54 -3.335 -12.039 -6.095 1.00 0.00 C ATOM 765 C ASN A 54 -4.715 -11.948 -6.725 1.00 0.00 C ATOM 766 O ASN A 54 -5.713 -11.928 -6.005 1.00 0.00 O ATOM 767 CB ASN A 54 -3.142 -13.451 -5.525 1.00 0.00 C ATOM 768 CG ASN A 54 -1.756 -13.677 -4.940 1.00 0.00 C ATOM 769 OD1 ASN A 54 -0.754 -13.580 -5.649 1.00 0.00 O ATOM 770 ND2 ASN A 54 -1.674 -14.015 -3.667 1.00 0.00 N ATOM 0 H ASN A 54 -4.175 -10.928 -4.557 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.538 -11.861 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.889 -13.629 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.320 -14.182 -6.314 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.764 -14.203 -3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.521 -14.088 -3.103 1.00 0.00 H new ATOM 777 N GLY A 55 -4.787 -11.928 -8.055 1.00 0.00 N ATOM 778 CA GLY A 55 -6.062 -11.894 -8.760 1.00 0.00 C ATOM 779 C GLY A 55 -6.673 -13.280 -8.951 1.00 0.00 C ATOM 780 O GLY A 55 -7.822 -13.380 -9.381 1.00 0.00 O ATOM 0 H GLY A 55 -3.971 -11.935 -8.667 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.761 -11.268 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.920 -11.428 -9.735 1.00 0.00 H new ATOM 784 N GLU A 56 -5.930 -14.351 -8.658 1.00 0.00 N ATOM 785 CA GLU A 56 -6.402 -15.719 -8.813 1.00 0.00 C ATOM 786 C GLU A 56 -7.562 -15.970 -7.856 1.00 0.00 C ATOM 787 O GLU A 56 -8.598 -16.520 -8.235 1.00 0.00 O ATOM 788 CB GLU A 56 -5.236 -16.693 -8.578 1.00 0.00 C ATOM 789 CG GLU A 56 -5.711 -18.148 -8.672 1.00 0.00 C ATOM 790 CD GLU A 56 -4.573 -19.110 -9.005 1.00 0.00 C ATOM 791 OE1 GLU A 56 -3.909 -19.626 -8.079 1.00 0.00 O ATOM 792 OE2 GLU A 56 -4.437 -19.441 -10.208 1.00 0.00 O ATOM 0 H GLU A 56 -4.976 -14.286 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.770 -15.881 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.453 -16.514 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.798 -16.512 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.166 -18.441 -7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.485 -18.226 -9.436 1.00 0.00 H new ATOM 799 N ASP A 57 -7.421 -15.497 -6.627 1.00 0.00 N ATOM 800 CA ASP A 57 -8.310 -15.735 -5.512 1.00 0.00 C ATOM 801 C ASP A 57 -8.616 -14.386 -4.872 1.00 0.00 C ATOM 802 O ASP A 57 -8.204 -14.103 -3.753 1.00 0.00 O ATOM 803 CB ASP A 57 -7.696 -16.775 -4.559 1.00 0.00 C ATOM 804 CG ASP A 57 -6.381 -16.342 -3.901 1.00 0.00 C ATOM 805 OD1 ASP A 57 -5.448 -15.869 -4.596 1.00 0.00 O ATOM 806 OD2 ASP A 57 -6.216 -16.566 -2.679 1.00 0.00 O ATOM 0 H ASP A 57 -6.633 -14.901 -6.372 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.259 -16.171 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.420 -17.003 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.523 -17.698 -5.113 1.00 0.00 H new ATOM 811 N LYS A 58 -9.403 -13.568 -5.587 1.00 0.00 N ATOM 812 CA LYS A 58 -9.998 -12.326 -5.083 1.00 0.00 C ATOM 813 C LYS A 58 -10.446 -12.481 -3.608 1.00 0.00 C ATOM 814 O LYS A 58 -9.913 -11.759 -2.761 1.00 0.00 O ATOM 815 CB LYS A 58 -11.122 -11.825 -6.030 1.00 0.00 C ATOM 816 CG LYS A 58 -10.697 -11.434 -7.468 1.00 0.00 C ATOM 817 CD LYS A 58 -10.205 -9.984 -7.588 1.00 0.00 C ATOM 818 CE LYS A 58 -9.742 -9.594 -9.004 1.00 0.00 C ATOM 819 NZ LYS A 58 -10.814 -9.244 -9.959 1.00 0.00 N ATOM 0 H LYS A 58 -9.648 -13.760 -6.558 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.238 -11.545 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.881 -12.604 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.596 -10.959 -5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.906 -12.106 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.542 -11.579 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.007 -9.313 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.379 -9.833 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.063 -8.745 -8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.168 -10.423 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.394 -8.998 -10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.453 -10.056 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.351 -8.431 -9.596 1.00 0.00 H new ATOM 833 N PRO A 59 -11.326 -13.442 -3.250 1.00 0.00 N ATOM 834 CA PRO A 59 -11.714 -13.683 -1.862 1.00 0.00 C ATOM 835 C PRO A 59 -10.526 -14.090 -0.981 1.00 0.00 C ATOM 836 O PRO A 59 -10.319 -13.519 0.089 1.00 0.00 O ATOM 837 CB PRO A 59 -12.780 -14.787 -1.910 1.00 0.00 C ATOM 838 CG PRO A 59 -12.531 -15.499 -3.236 1.00 0.00 C ATOM 839 CD PRO A 59 -12.038 -14.365 -4.124 1.00 0.00 C ATOM 0 HA PRO A 59 -12.099 -12.770 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.681 -15.471 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.786 -14.370 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.789 -16.292 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.439 -15.958 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.382 -14.742 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.872 -13.867 -4.618 1.00 0.00 H new ATOM 847 N GLY A 60 -9.735 -15.071 -1.424 1.00 0.00 N ATOM 848 CA GLY A 60 -8.583 -15.613 -0.709 1.00 0.00 C ATOM 849 C GLY A 60 -7.458 -14.607 -0.465 1.00 0.00 C ATOM 850 O GLY A 60 -6.486 -14.915 0.227 1.00 0.00 O ATOM 0 H GLY A 60 -9.888 -15.525 -2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.918 -16.004 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.184 -16.455 -1.274 1.00 0.00 H new ATOM 854 N PHE A 61 -7.600 -13.374 -0.938 1.00 0.00 N ATOM 855 CA PHE A 61 -6.757 -12.251 -0.594 1.00 0.00 C ATOM 856 C PHE A 61 -7.498 -11.284 0.320 1.00 0.00 C ATOM 857 O PHE A 61 -6.981 -10.942 1.389 1.00 0.00 O ATOM 858 CB PHE A 61 -6.246 -11.628 -1.886 1.00 0.00 C ATOM 859 CG PHE A 61 -6.085 -10.126 -1.822 1.00 0.00 C ATOM 860 CD1 PHE A 61 -4.921 -9.581 -1.267 1.00 0.00 C ATOM 861 CD2 PHE A 61 -7.120 -9.279 -2.263 1.00 0.00 C ATOM 862 CE1 PHE A 61 -4.756 -8.188 -1.203 1.00 0.00 C ATOM 863 CE2 PHE A 61 -6.969 -7.883 -2.177 1.00 0.00 C ATOM 864 CZ PHE A 61 -5.773 -7.342 -1.673 1.00 0.00 C ATOM 0 H PHE A 61 -8.337 -13.127 -1.598 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.888 -12.568 -0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.285 -12.076 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.935 -11.875 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.148 -10.233 -0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.029 -9.701 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.849 -7.769 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.768 -7.230 -2.497 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.636 -6.271 -1.647 1.00 0.00 H new ATOM 874 N LEU A 62 -8.718 -10.888 -0.060 1.00 0.00 N ATOM 875 CA LEU A 62 -9.528 -9.924 0.680 1.00 0.00 C ATOM 876 C LEU A 62 -9.718 -10.330 2.138 1.00 0.00 C ATOM 877 O LEU A 62 -9.941 -9.463 2.981 1.00 0.00 O ATOM 878 CB LEU A 62 -10.907 -9.778 0.031 1.00 0.00 C ATOM 879 CG LEU A 62 -10.907 -9.003 -1.296 1.00 0.00 C ATOM 880 CD1 LEU A 62 -12.221 -9.258 -2.024 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.763 -7.497 -1.063 1.00 0.00 C ATOM 0 H LEU A 62 -9.174 -11.236 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.991 -8.976 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.320 -10.772 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.573 -9.274 0.732 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.060 -9.347 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.227 -8.711 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.326 -10.325 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.052 -8.922 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.767 -6.979 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.595 -7.142 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.825 -7.297 -0.546 1.00 0.00 H new ATOM 893 N LYS A 63 -9.603 -11.621 2.455 1.00 0.00 N ATOM 894 CA LYS A 63 -9.773 -12.137 3.791 1.00 0.00 C ATOM 895 C LYS A 63 -8.830 -11.474 4.783 1.00 0.00 C ATOM 896 O LYS A 63 -9.204 -11.331 5.941 1.00 0.00 O ATOM 897 CB LYS A 63 -9.685 -13.670 3.781 1.00 0.00 C ATOM 898 CG LYS A 63 -8.526 -14.332 3.014 1.00 0.00 C ATOM 899 CD LYS A 63 -7.154 -13.899 3.531 1.00 0.00 C ATOM 900 CE LYS A 63 -6.037 -14.905 3.305 1.00 0.00 C ATOM 901 NZ LYS A 63 -6.271 -16.160 4.051 1.00 0.00 N ATOM 0 H LYS A 63 -9.384 -12.342 1.767 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.772 -11.880 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.633 -14.006 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.618 -14.053 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.615 -15.415 3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.606 -14.083 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.880 -12.960 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.232 -13.698 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.955 -15.125 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.087 -14.469 3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.376 -16.682 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.640 -15.938 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.962 -16.744 3.539 1.00 0.00 H new ATOM 915 N LYS A 64 -7.617 -11.063 4.381 1.00 0.00 N ATOM 916 CA LYS A 64 -6.682 -10.542 5.367 1.00 0.00 C ATOM 917 C LYS A 64 -7.163 -9.175 5.827 1.00 0.00 C ATOM 918 O LYS A 64 -6.976 -8.786 6.975 1.00 0.00 O ATOM 919 CB LYS A 64 -5.239 -10.450 4.852 1.00 0.00 C ATOM 920 CG LYS A 64 -4.558 -11.807 4.596 1.00 0.00 C ATOM 921 CD LYS A 64 -3.070 -11.778 4.982 1.00 0.00 C ATOM 922 CE LYS A 64 -2.331 -13.030 4.487 1.00 0.00 C ATOM 923 NZ LYS A 64 -0.986 -13.137 5.088 1.00 0.00 N ATOM 0 H LYS A 64 -7.278 -11.082 3.419 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.660 -11.246 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.235 -9.876 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.645 -9.892 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.067 -12.583 5.167 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.656 -12.070 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.602 -10.888 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.976 -11.704 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.913 -13.918 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.244 -12.997 3.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.514 -13.993 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.424 -12.300 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.072 -13.193 6.123 1.00 0.00 H new ATOM 937 N LEU A 65 -7.821 -8.445 4.934 1.00 0.00 N ATOM 938 CA LEU A 65 -8.401 -7.151 5.214 1.00 0.00 C ATOM 939 C LEU A 65 -9.637 -7.289 6.114 1.00 0.00 C ATOM 940 O LEU A 65 -10.129 -6.269 6.584 1.00 0.00 O ATOM 941 CB LEU A 65 -8.713 -6.430 3.888 1.00 0.00 C ATOM 942 CG LEU A 65 -7.470 -6.098 3.024 1.00 0.00 C ATOM 943 CD1 LEU A 65 -6.868 -7.280 2.250 1.00 0.00 C ATOM 944 CD2 LEU A 65 -7.847 -5.015 2.018 1.00 0.00 C ATOM 0 H LEU A 65 -7.966 -8.751 3.972 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.686 -6.541 5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.390 -7.052 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.243 -5.503 4.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.704 -5.779 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.004 -6.939 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.556 -8.054 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.615 -7.687 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.980 -4.772 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.654 -5.376 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.176 -4.123 2.550 1.00 0.00 H new ATOM 956 N SER A 66 -10.083 -8.511 6.426 1.00 0.00 N ATOM 957 CA SER A 66 -11.134 -8.834 7.384 1.00 0.00 C ATOM 958 C SER A 66 -10.583 -9.160 8.786 1.00 0.00 C ATOM 959 O SER A 66 -11.336 -9.634 9.639 1.00 0.00 O ATOM 960 CB SER A 66 -11.903 -10.053 6.856 1.00 0.00 C ATOM 961 OG SER A 66 -13.298 -9.883 7.026 1.00 0.00 O ATOM 0 H SER A 66 -9.694 -9.346 5.988 1.00 0.00 H new ATOM 0 HA SER A 66 -11.777 -7.960 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.677 -10.201 5.800 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.575 -10.950 7.381 1.00 0.00 H new ATOM 0 HG SER A 66 -13.768 -10.671 6.681 1.00 0.00 H new ATOM 967 N LEU A 67 -9.279 -8.986 9.040 1.00 0.00 N ATOM 968 CA LEU A 67 -8.702 -9.163 10.379 1.00 0.00 C ATOM 969 C LEU A 67 -7.686 -8.082 10.765 1.00 0.00 C ATOM 970 O LEU A 67 -6.969 -8.248 11.753 1.00 0.00 O ATOM 971 CB LEU A 67 -8.126 -10.579 10.556 1.00 0.00 C ATOM 972 CG LEU A 67 -6.926 -10.933 9.656 1.00 0.00 C ATOM 973 CD1 LEU A 67 -5.666 -11.235 10.471 1.00 0.00 C ATOM 974 CD2 LEU A 67 -7.255 -12.141 8.773 1.00 0.00 C ATOM 0 H LEU A 67 -8.599 -8.720 8.328 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.529 -9.042 11.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.824 -10.700 11.596 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.921 -11.300 10.369 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.730 -10.061 9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.846 -11.479 9.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.399 -10.361 11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.855 -12.080 11.133 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.396 -12.377 8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.490 -12.999 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.113 -11.908 8.143 1.00 0.00 H new ATOM 986 N LYS A 68 -7.573 -7.001 9.988 1.00 0.00 N ATOM 987 CA LYS A 68 -6.551 -5.971 10.096 1.00 0.00 C ATOM 988 C LYS A 68 -7.076 -4.544 10.176 1.00 0.00 C ATOM 989 O LYS A 68 -6.266 -3.633 10.338 1.00 0.00 O ATOM 990 CB LYS A 68 -5.614 -6.137 8.893 1.00 0.00 C ATOM 991 CG LYS A 68 -4.227 -6.622 9.309 1.00 0.00 C ATOM 992 CD LYS A 68 -4.242 -7.901 10.154 1.00 0.00 C ATOM 993 CE LYS A 68 -2.841 -8.502 10.259 1.00 0.00 C ATOM 994 NZ LYS A 68 -2.670 -9.348 11.464 1.00 0.00 N ATOM 0 H LYS A 68 -8.229 -6.817 9.229 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.037 -6.114 11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.050 -6.846 8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.523 -5.185 8.370 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.631 -6.797 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.731 -5.832 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.622 -7.678 11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.921 -8.628 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.639 -9.099 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.106 -7.698 10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.682 -9.300 11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.296 -9.006 12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.912 -10.333 11.234 1.00 0.00 H new ATOM 1008 N PHE A 69 -8.374 -4.318 10.037 1.00 0.00 N ATOM 1009 CA PHE A 69 -8.997 -3.000 10.109 1.00 0.00 C ATOM 1010 C PHE A 69 -10.081 -3.052 11.181 1.00 0.00 C ATOM 1011 O PHE A 69 -10.424 -4.134 11.658 1.00 0.00 O ATOM 1012 CB PHE A 69 -9.577 -2.603 8.739 1.00 0.00 C ATOM 1013 CG PHE A 69 -8.587 -2.568 7.592 1.00 0.00 C ATOM 1014 CD1 PHE A 69 -8.056 -3.752 7.040 1.00 0.00 C ATOM 1015 CD2 PHE A 69 -8.227 -1.330 7.042 1.00 0.00 C ATOM 1016 CE1 PHE A 69 -7.132 -3.686 5.986 1.00 0.00 C ATOM 1017 CE2 PHE A 69 -7.355 -1.268 5.944 1.00 0.00 C ATOM 1018 CZ PHE A 69 -6.797 -2.444 5.429 1.00 0.00 C ATOM 0 H PHE A 69 -9.045 -5.067 9.866 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.260 -2.242 10.373 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -10.374 -3.302 8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.034 -1.618 8.830 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.361 -4.712 7.429 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.623 -0.419 7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.680 -4.590 5.605 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.115 -0.315 5.497 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.106 -2.394 4.600 1.00 0.00 H new ATOM 1028 N LYS A 70 -10.648 -1.904 11.553 1.00 0.00 N ATOM 1029 CA LYS A 70 -11.753 -1.847 12.495 1.00 0.00 C ATOM 1030 C LYS A 70 -13.012 -1.373 11.810 1.00 0.00 C ATOM 1031 O LYS A 70 -14.081 -1.904 12.079 1.00 0.00 O ATOM 1032 CB LYS A 70 -11.373 -0.919 13.649 1.00 0.00 C ATOM 1033 CG LYS A 70 -12.356 -1.059 14.819 1.00 0.00 C ATOM 1034 CD LYS A 70 -13.428 0.038 14.925 1.00 0.00 C ATOM 1035 CE LYS A 70 -12.874 1.464 15.071 1.00 0.00 C ATOM 1036 NZ LYS A 70 -11.913 1.584 16.189 1.00 0.00 N ATOM 0 H LYS A 70 -10.351 -0.992 11.207 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.951 -2.844 12.888 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.364 -1.151 13.989 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.363 0.114 13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.857 -2.024 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.786 -1.075 15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.060 -0.003 14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.067 -0.179 15.781 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.385 1.758 14.142 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.700 2.157 15.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.633 2.579 16.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.359 1.249 17.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.071 1.008 15.987 1.00 0.00 H new ATOM 1050 N ASP A 71 -12.886 -0.384 10.937 1.00 0.00 N ATOM 1051 CA ASP A 71 -14.000 0.405 10.439 1.00 0.00 C ATOM 1052 C ASP A 71 -13.897 0.526 8.917 1.00 0.00 C ATOM 1053 O ASP A 71 -13.641 1.602 8.375 1.00 0.00 O ATOM 1054 CB ASP A 71 -13.935 1.743 11.167 1.00 0.00 C ATOM 1055 CG ASP A 71 -14.979 2.738 10.703 1.00 0.00 C ATOM 1056 OD1 ASP A 71 -16.092 2.335 10.296 1.00 0.00 O ATOM 1057 OD2 ASP A 71 -14.685 3.949 10.826 1.00 0.00 O ATOM 0 H ASP A 71 -11.986 -0.103 10.548 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.970 -0.053 10.632 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.059 1.572 12.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.945 2.176 11.026 1.00 0.00 H new ATOM 1062 N PRO A 72 -13.990 -0.601 8.195 1.00 0.00 N ATOM 1063 CA PRO A 72 -13.674 -0.643 6.776 1.00 0.00 C ATOM 1064 C PRO A 72 -14.680 0.191 5.980 1.00 0.00 C ATOM 1065 O PRO A 72 -14.299 0.860 5.024 1.00 0.00 O ATOM 1066 CB PRO A 72 -13.702 -2.134 6.425 1.00 0.00 C ATOM 1067 CG PRO A 72 -14.656 -2.741 7.438 1.00 0.00 C ATOM 1068 CD PRO A 72 -14.306 -1.935 8.682 1.00 0.00 C ATOM 0 HA PRO A 72 -12.705 -0.210 6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.050 -2.296 5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.709 -2.578 6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.699 -2.619 7.147 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.486 -3.809 7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.140 -1.911 9.383 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.459 -2.373 9.209 1.00 0.00 H new ATOM 1076 N GLU A 73 -15.940 0.222 6.422 1.00 0.00 N ATOM 1077 CA GLU A 73 -17.048 0.980 5.849 1.00 0.00 C ATOM 1078 C GLU A 73 -16.881 2.506 5.952 1.00 0.00 C ATOM 1079 O GLU A 73 -17.722 3.246 5.438 1.00 0.00 O ATOM 1080 CB GLU A 73 -18.366 0.491 6.474 1.00 0.00 C ATOM 1081 CG GLU A 73 -18.485 0.697 7.993 1.00 0.00 C ATOM 1082 CD GLU A 73 -19.778 0.087 8.537 1.00 0.00 C ATOM 1083 OE1 GLU A 73 -19.808 -1.138 8.821 1.00 0.00 O ATOM 1084 OE2 GLU A 73 -20.805 0.791 8.662 1.00 0.00 O ATOM 0 H GLU A 73 -16.228 -0.315 7.240 1.00 0.00 H new ATOM 0 HA GLU A 73 -17.062 0.788 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -19.194 1.007 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -18.481 -0.571 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.628 0.244 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.459 1.763 8.221 1.00 0.00 H new ATOM 1091 N ASN A 74 -15.795 3.007 6.553 1.00 0.00 N ATOM 1092 CA ASN A 74 -15.434 4.421 6.451 1.00 0.00 C ATOM 1093 C ASN A 74 -13.943 4.641 6.185 1.00 0.00 C ATOM 1094 O ASN A 74 -13.550 5.776 5.912 1.00 0.00 O ATOM 1095 CB ASN A 74 -15.865 5.200 7.710 1.00 0.00 C ATOM 1096 CG ASN A 74 -17.342 5.064 8.067 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -18.199 5.795 7.567 1.00 0.00 O ATOM 1098 ND2 ASN A 74 -17.693 4.160 8.963 1.00 0.00 N ATOM 0 H ASN A 74 -15.151 2.450 7.116 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.977 4.806 5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.268 4.858 8.555 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.636 6.256 7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.671 4.068 9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.987 3.553 9.379 1.00 0.00 H new ATOM 1105 N THR A 75 -13.109 3.602 6.247 1.00 0.00 N ATOM 1106 CA THR A 75 -11.666 3.733 6.144 1.00 0.00 C ATOM 1107 C THR A 75 -11.203 3.951 4.691 1.00 0.00 C ATOM 1108 O THR A 75 -11.342 3.055 3.854 1.00 0.00 O ATOM 1109 CB THR A 75 -11.021 2.502 6.794 1.00 0.00 C ATOM 1110 OG1 THR A 75 -10.941 2.651 8.204 1.00 0.00 O ATOM 1111 CG2 THR A 75 -9.622 2.236 6.240 1.00 0.00 C ATOM 0 H THR A 75 -13.425 2.640 6.371 1.00 0.00 H new ATOM 0 HA THR A 75 -11.342 4.626 6.678 1.00 0.00 H new ATOM 0 HB THR A 75 -11.660 1.652 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.776 2.341 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.200 1.356 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.683 2.063 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.984 3.099 6.433 1.00 0.00 H new ATOM 1119 N THR A 76 -10.623 5.105 4.378 1.00 0.00 N ATOM 1120 CA THR A 76 -10.152 5.424 3.038 1.00 0.00 C ATOM 1121 C THR A 76 -8.813 4.744 2.762 1.00 0.00 C ATOM 1122 O THR A 76 -7.767 5.207 3.223 1.00 0.00 O ATOM 1123 CB THR A 76 -10.018 6.941 2.851 1.00 0.00 C ATOM 1124 OG1 THR A 76 -11.089 7.627 3.471 1.00 0.00 O ATOM 1125 CG2 THR A 76 -9.915 7.307 1.367 1.00 0.00 C ATOM 0 H THR A 76 -10.466 5.851 5.055 1.00 0.00 H new ATOM 0 HA THR A 76 -10.889 5.051 2.327 1.00 0.00 H new ATOM 0 HB THR A 76 -9.094 7.256 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.980 8.592 3.339 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.821 8.388 1.265 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.040 6.824 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.811 6.970 0.846 1.00 0.00 H new ATOM 1133 N LEU A 77 -8.820 3.626 2.043 1.00 0.00 N ATOM 1134 CA LEU A 77 -7.586 2.890 1.814 1.00 0.00 C ATOM 1135 C LEU A 77 -6.753 3.512 0.695 1.00 0.00 C ATOM 1136 O LEU A 77 -7.309 4.082 -0.234 1.00 0.00 O ATOM 1137 CB LEU A 77 -7.918 1.435 1.469 1.00 0.00 C ATOM 1138 CG LEU A 77 -7.250 0.410 2.392 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -7.431 -0.966 1.776 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -5.749 0.619 2.584 1.00 0.00 C ATOM 0 H LEU A 77 -9.651 3.217 1.616 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.993 2.932 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.999 1.299 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.613 1.237 0.441 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.723 0.521 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.963 -1.715 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.495 -1.184 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.965 -0.988 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.357 -0.149 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.246 0.553 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.571 1.602 3.019 1.00 0.00 H new ATOM 1152 N TYR A 78 -5.444 3.268 0.705 1.00 0.00 N ATOM 1153 CA TYR A 78 -4.500 3.621 -0.345 1.00 0.00 C ATOM 1154 C TYR A 78 -3.629 2.385 -0.610 1.00 0.00 C ATOM 1155 O TYR A 78 -2.736 2.079 0.182 1.00 0.00 O ATOM 1156 CB TYR A 78 -3.682 4.858 0.087 1.00 0.00 C ATOM 1157 CG TYR A 78 -4.457 6.166 0.094 1.00 0.00 C ATOM 1158 CD1 TYR A 78 -5.262 6.537 1.193 1.00 0.00 C ATOM 1159 CD2 TYR A 78 -4.408 6.995 -1.040 1.00 0.00 C ATOM 1160 CE1 TYR A 78 -6.109 7.660 1.099 1.00 0.00 C ATOM 1161 CE2 TYR A 78 -5.223 8.133 -1.127 1.00 0.00 C ATOM 1162 CZ TYR A 78 -6.128 8.429 -0.087 1.00 0.00 C ATOM 1163 OH TYR A 78 -7.039 9.426 -0.263 1.00 0.00 O ATOM 0 H TYR A 78 -4.993 2.794 1.488 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.002 3.897 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.285 4.682 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.827 4.962 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.229 5.960 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.737 6.754 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.742 7.932 1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.158 8.781 -1.988 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.698 9.152 -0.935 1.00 0.00 H new ATOM 1173 N ILE A 79 -3.899 1.615 -1.669 1.00 0.00 N ATOM 1174 CA ILE A 79 -3.053 0.484 -2.065 1.00 0.00 C ATOM 1175 C ILE A 79 -1.686 1.013 -2.490 1.00 0.00 C ATOM 1176 O ILE A 79 -1.603 2.083 -3.093 1.00 0.00 O ATOM 1177 CB ILE A 79 -3.732 -0.329 -3.192 1.00 0.00 C ATOM 1178 CG1 ILE A 79 -4.997 -1.031 -2.652 1.00 0.00 C ATOM 1179 CG2 ILE A 79 -2.810 -1.408 -3.777 1.00 0.00 C ATOM 1180 CD1 ILE A 79 -6.274 -0.255 -2.945 1.00 0.00 C ATOM 0 H ILE A 79 -4.708 1.757 -2.274 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.916 -0.193 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.981 0.384 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.072 -2.025 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.899 -1.167 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.336 -1.949 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.919 -0.938 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.520 -2.104 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.130 -0.797 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.216 0.729 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.391 -0.141 -4.023 1.00 0.00 H new ATOM 1192 N LEU A 80 -0.626 0.260 -2.192 1.00 0.00 N ATOM 1193 CA LEU A 80 0.748 0.555 -2.562 1.00 0.00 C ATOM 1194 C LEU A 80 1.383 -0.739 -3.070 1.00 0.00 C ATOM 1195 O LEU A 80 1.514 -1.710 -2.322 1.00 0.00 O ATOM 1196 CB LEU A 80 1.509 1.122 -1.349 1.00 0.00 C ATOM 1197 CG LEU A 80 2.629 2.126 -1.685 1.00 0.00 C ATOM 1198 CD1 LEU A 80 3.566 2.262 -0.481 1.00 0.00 C ATOM 1199 CD2 LEU A 80 3.499 1.750 -2.871 1.00 0.00 C ATOM 0 H LEU A 80 -0.712 -0.608 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 80 0.788 1.309 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.793 1.609 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.943 0.291 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 80 2.107 3.049 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.359 2.972 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.002 2.620 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.004 1.291 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.256 2.519 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.987 0.795 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.880 1.666 -3.764 1.00 0.00 H new ATOM 1211 N ASP A 81 1.753 -0.778 -4.343 1.00 0.00 N ATOM 1212 CA ASP A 81 2.470 -1.877 -4.977 1.00 0.00 C ATOM 1213 C ASP A 81 3.932 -1.472 -5.224 1.00 0.00 C ATOM 1214 O ASP A 81 4.478 -0.636 -4.515 1.00 0.00 O ATOM 1215 CB ASP A 81 1.687 -2.411 -6.191 1.00 0.00 C ATOM 1216 CG ASP A 81 2.134 -1.861 -7.537 1.00 0.00 C ATOM 1217 OD1 ASP A 81 1.653 -0.769 -7.914 1.00 0.00 O ATOM 1218 OD2 ASP A 81 2.974 -2.564 -8.147 1.00 0.00 O ATOM 0 H ASP A 81 1.554 -0.014 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 81 2.533 -2.741 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.775 -3.497 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.631 -2.179 -6.054 1.00 0.00 H new ATOM 1223 N LYS A 82 4.652 -2.177 -6.086 1.00 0.00 N ATOM 1224 CA LYS A 82 6.068 -1.997 -6.365 1.00 0.00 C ATOM 1225 C LYS A 82 6.272 -1.191 -7.631 1.00 0.00 C ATOM 1226 O LYS A 82 7.002 -0.210 -7.615 1.00 0.00 O ATOM 1227 CB LYS A 82 6.755 -3.363 -6.425 1.00 0.00 C ATOM 1228 CG LYS A 82 6.047 -4.506 -7.169 1.00 0.00 C ATOM 1229 CD LYS A 82 6.602 -5.867 -6.735 1.00 0.00 C ATOM 1230 CE LYS A 82 8.049 -6.064 -7.189 1.00 0.00 C ATOM 1231 NZ LYS A 82 8.317 -7.493 -7.420 1.00 0.00 N ATOM 0 H LYS A 82 4.241 -2.930 -6.638 1.00 0.00 H new ATOM 0 HA LYS A 82 6.528 -1.426 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.733 -3.223 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.930 -3.692 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.976 -4.466 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.178 -4.381 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.547 -5.952 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.980 -6.661 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.231 -5.499 -8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.732 -5.676 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.303 -7.616 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.161 -8.022 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.677 -7.852 -8.157 1.00 0.00 H new ATOM 1245 N PHE A 83 5.665 -1.649 -8.712 1.00 0.00 N ATOM 1246 CA PHE A 83 5.899 -1.135 -10.064 1.00 0.00 C ATOM 1247 C PHE A 83 4.608 -0.732 -10.782 1.00 0.00 C ATOM 1248 O PHE A 83 4.560 0.348 -11.366 1.00 0.00 O ATOM 1249 CB PHE A 83 6.687 -2.179 -10.880 1.00 0.00 C ATOM 1250 CG PHE A 83 8.032 -1.733 -11.424 1.00 0.00 C ATOM 1251 CD1 PHE A 83 9.010 -1.211 -10.556 1.00 0.00 C ATOM 1252 CD2 PHE A 83 8.328 -1.876 -12.795 1.00 0.00 C ATOM 1253 CE1 PHE A 83 10.262 -0.816 -11.055 1.00 0.00 C ATOM 1254 CE2 PHE A 83 9.583 -1.487 -13.294 1.00 0.00 C ATOM 1255 CZ PHE A 83 10.547 -0.949 -12.424 1.00 0.00 C ATOM 0 H PHE A 83 4.980 -2.404 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 83 6.486 -0.221 -9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.846 -3.055 -10.251 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.067 -2.496 -11.719 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.796 -1.114 -9.502 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.587 -2.286 -13.465 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.006 -0.410 -10.386 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.806 -1.601 -14.344 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.507 -0.638 -12.808 1.00 0.00 H new ATOM 1265 N ASP A 84 3.625 -1.630 -10.840 1.00 0.00 N ATOM 1266 CA ASP A 84 2.282 -1.432 -11.395 1.00 0.00 C ATOM 1267 C ASP A 84 1.360 -2.430 -10.702 1.00 0.00 C ATOM 1268 O ASP A 84 0.243 -2.091 -10.308 1.00 0.00 O ATOM 1269 CB ASP A 84 2.182 -1.783 -12.889 1.00 0.00 C ATOM 1270 CG ASP A 84 2.983 -0.918 -13.846 1.00 0.00 C ATOM 1271 OD1 ASP A 84 2.643 0.271 -14.037 1.00 0.00 O ATOM 1272 OD2 ASP A 84 3.895 -1.498 -14.489 1.00 0.00 O ATOM 0 H ASP A 84 3.751 -2.575 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 84 2.028 -0.382 -11.252 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.500 -2.818 -13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.133 -1.733 -13.181 1.00 0.00 H new ATOM 1277 N GLY A 85 1.838 -3.679 -10.591 1.00 0.00 N ATOM 1278 CA GLY A 85 1.206 -4.818 -9.966 1.00 0.00 C ATOM 1279 C GLY A 85 -0.215 -4.980 -10.463 1.00 0.00 C ATOM 1280 O GLY A 85 -0.455 -5.642 -11.474 1.00 0.00 O ATOM 0 H GLY A 85 2.752 -3.923 -10.972 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.777 -5.721 -10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.206 -4.692 -8.883 1.00 0.00 H new ATOM 1284 N ASN A 86 -1.139 -4.427 -9.685 1.00 0.00 N ATOM 1285 CA ASN A 86 -2.582 -4.362 -9.874 1.00 0.00 C ATOM 1286 C ASN A 86 -3.129 -3.276 -8.930 1.00 0.00 C ATOM 1287 O ASN A 86 -4.243 -3.409 -8.434 1.00 0.00 O ATOM 1288 CB ASN A 86 -3.182 -5.731 -9.535 1.00 0.00 C ATOM 1289 CG ASN A 86 -2.989 -6.808 -10.593 1.00 0.00 C ATOM 1290 OD1 ASN A 86 -2.352 -7.834 -10.341 1.00 0.00 O ATOM 1291 ND2 ASN A 86 -3.589 -6.649 -11.760 1.00 0.00 N ATOM 0 H ASN A 86 -0.866 -3.966 -8.817 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.842 -4.114 -10.903 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.742 -6.080 -8.601 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.250 -5.607 -9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.529 -7.381 -12.468 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.112 -5.795 -11.952 1.00 0.00 H new ATOM 1298 N SER A 87 -2.338 -2.272 -8.544 1.00 0.00 N ATOM 1299 CA SER A 87 -2.743 -1.271 -7.562 1.00 0.00 C ATOM 1300 C SER A 87 -4.043 -0.579 -7.984 1.00 0.00 C ATOM 1301 O SER A 87 -4.975 -0.513 -7.180 1.00 0.00 O ATOM 1302 CB SER A 87 -1.582 -0.288 -7.335 1.00 0.00 C ATOM 1303 OG SER A 87 -0.877 -0.029 -8.538 1.00 0.00 O ATOM 0 H SER A 87 -1.395 -2.133 -8.907 1.00 0.00 H new ATOM 0 HA SER A 87 -2.962 -1.753 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.970 0.647 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.898 -0.697 -6.592 1.00 0.00 H new ATOM 0 HG SER A 87 0.030 -0.395 -8.471 1.00 0.00 H new ATOM 1309 N GLU A 88 -4.141 -0.141 -9.243 1.00 0.00 N ATOM 1310 CA GLU A 88 -5.340 0.516 -9.761 1.00 0.00 C ATOM 1311 C GLU A 88 -6.541 -0.445 -9.763 1.00 0.00 C ATOM 1312 O GLU A 88 -7.681 -0.005 -9.617 1.00 0.00 O ATOM 1313 CB GLU A 88 -5.091 1.078 -11.176 1.00 0.00 C ATOM 1314 CG GLU A 88 -3.930 2.090 -11.260 1.00 0.00 C ATOM 1315 CD GLU A 88 -3.753 2.707 -12.660 1.00 0.00 C ATOM 1316 OE1 GLU A 88 -3.754 1.969 -13.672 1.00 0.00 O ATOM 1317 OE2 GLU A 88 -3.538 3.938 -12.765 1.00 0.00 O ATOM 0 H GLU A 88 -3.392 -0.233 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.576 1.349 -9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.885 0.249 -11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.003 1.559 -11.529 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.102 2.889 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.004 1.593 -10.971 1.00 0.00 H new ATOM 1324 N LEU A 89 -6.318 -1.757 -9.916 1.00 0.00 N ATOM 1325 CA LEU A 89 -7.369 -2.775 -9.856 1.00 0.00 C ATOM 1326 C LEU A 89 -7.898 -2.912 -8.430 1.00 0.00 C ATOM 1327 O LEU A 89 -9.104 -2.842 -8.198 1.00 0.00 O ATOM 1328 CB LEU A 89 -6.843 -4.126 -10.383 1.00 0.00 C ATOM 1329 CG LEU A 89 -7.812 -5.304 -10.196 1.00 0.00 C ATOM 1330 CD1 LEU A 89 -9.175 -5.046 -10.842 1.00 0.00 C ATOM 1331 CD2 LEU A 89 -7.170 -6.556 -10.800 1.00 0.00 C ATOM 0 H LEU A 89 -5.390 -2.144 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.195 -2.462 -10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.616 -4.024 -11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.906 -4.359 -9.877 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.993 -5.438 -9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.823 -5.908 -10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.629 -4.162 -10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.046 -4.884 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.843 -7.405 -10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.982 -6.392 -11.861 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.228 -6.763 -10.292 1.00 0.00 H new ATOM 1343 N VAL A 90 -7.006 -3.148 -7.469 1.00 0.00 N ATOM 1344 CA VAL A 90 -7.384 -3.377 -6.078 1.00 0.00 C ATOM 1345 C VAL A 90 -8.065 -2.122 -5.508 1.00 0.00 C ATOM 1346 O VAL A 90 -8.936 -2.254 -4.643 1.00 0.00 O ATOM 1347 CB VAL A 90 -6.141 -3.840 -5.286 1.00 0.00 C ATOM 1348 CG1 VAL A 90 -6.443 -4.208 -3.827 1.00 0.00 C ATOM 1349 CG2 VAL A 90 -5.528 -5.117 -5.882 1.00 0.00 C ATOM 0 H VAL A 90 -6.000 -3.186 -7.635 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.121 -4.176 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.471 -2.982 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.524 -4.524 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.853 -3.340 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.167 -5.022 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.656 -5.410 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.266 -5.919 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.226 -4.929 -6.912 1.00 0.00 H new ATOM 1359 N ALA A 91 -7.748 -0.929 -6.030 1.00 0.00 N ATOM 1360 CA ALA A 91 -8.404 0.317 -5.659 1.00 0.00 C ATOM 1361 C ALA A 91 -9.880 0.364 -6.044 1.00 0.00 C ATOM 1362 O ALA A 91 -10.578 1.247 -5.556 1.00 0.00 O ATOM 1363 CB ALA A 91 -7.676 1.505 -6.274 1.00 0.00 C ATOM 0 H ALA A 91 -7.017 -0.809 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.358 0.371 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.179 2.428 -5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.647 1.526 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.680 1.412 -7.360 1.00 0.00 H new ATOM 1369 N GLU A 92 -10.406 -0.582 -6.822 1.00 0.00 N ATOM 1370 CA GLU A 92 -11.826 -0.684 -7.153 1.00 0.00 C ATOM 1371 C GLU A 92 -12.299 -2.138 -6.999 1.00 0.00 C ATOM 1372 O GLU A 92 -13.017 -2.692 -7.844 1.00 0.00 O ATOM 1373 CB GLU A 92 -12.091 -0.080 -8.536 1.00 0.00 C ATOM 1374 CG GLU A 92 -11.284 -0.742 -9.664 1.00 0.00 C ATOM 1375 CD GLU A 92 -11.650 -0.224 -11.052 1.00 0.00 C ATOM 1376 OE1 GLU A 92 -12.408 0.756 -11.193 1.00 0.00 O ATOM 1377 OE2 GLU A 92 -11.135 -0.787 -12.041 1.00 0.00 O ATOM 0 H GLU A 92 -9.842 -1.316 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 92 -12.422 -0.098 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.154 -0.166 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.856 0.984 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.222 -0.573 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.444 -1.820 -9.632 1.00 0.00 H new ATOM 1384 N LEU A 93 -11.905 -2.749 -5.880 1.00 0.00 N ATOM 1385 CA LEU A 93 -12.322 -4.085 -5.477 1.00 0.00 C ATOM 1386 C LEU A 93 -12.841 -4.064 -4.041 1.00 0.00 C ATOM 1387 O LEU A 93 -13.946 -4.530 -3.760 1.00 0.00 O ATOM 1388 CB LEU A 93 -11.142 -5.054 -5.675 1.00 0.00 C ATOM 1389 CG LEU A 93 -11.456 -6.502 -5.256 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -12.473 -7.140 -6.207 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -10.160 -7.323 -5.236 1.00 0.00 C ATOM 0 H LEU A 93 -11.269 -2.312 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 93 -13.148 -4.434 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -10.847 -5.044 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.288 -4.695 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.892 -6.489 -4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.677 -8.162 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.398 -6.563 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.069 -7.149 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.383 -8.348 -4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.713 -7.322 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.462 -6.883 -4.524 1.00 0.00 H new ATOM 1403 N VAL A 94 -12.045 -3.550 -3.107 1.00 0.00 N ATOM 1404 CA VAL A 94 -12.371 -3.533 -1.682 1.00 0.00 C ATOM 1405 C VAL A 94 -13.641 -2.731 -1.381 1.00 0.00 C ATOM 1406 O VAL A 94 -14.473 -3.168 -0.576 1.00 0.00 O ATOM 1407 CB VAL A 94 -11.162 -3.017 -0.891 1.00 0.00 C ATOM 1408 CG1 VAL A 94 -10.092 -4.114 -0.826 1.00 0.00 C ATOM 1409 CG2 VAL A 94 -10.524 -1.745 -1.455 1.00 0.00 C ATOM 0 H VAL A 94 -11.142 -3.127 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.590 -4.553 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.545 -2.758 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -9.232 -3.750 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -10.503 -4.994 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.780 -4.379 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.678 -1.455 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.178 -1.931 -2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.261 -0.942 -1.464 1.00 0.00 H new ATOM 1419 N ALA A 95 -13.826 -1.603 -2.070 1.00 0.00 N ATOM 1420 CA ALA A 95 -14.981 -0.729 -1.940 1.00 0.00 C ATOM 1421 C ALA A 95 -16.288 -1.374 -2.415 1.00 0.00 C ATOM 1422 O ALA A 95 -17.352 -0.772 -2.301 1.00 0.00 O ATOM 1423 CB ALA A 95 -14.717 0.545 -2.736 1.00 0.00 C ATOM 0 H ALA A 95 -13.150 -1.267 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 95 -15.113 -0.514 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -15.574 1.212 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.829 1.042 -2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.558 0.293 -3.784 1.00 0.00 H new ATOM 1429 N LEU A 96 -16.215 -2.574 -2.989 1.00 0.00 N ATOM 1430 CA LEU A 96 -17.325 -3.304 -3.585 1.00 0.00 C ATOM 1431 C LEU A 96 -17.455 -4.670 -2.900 1.00 0.00 C ATOM 1432 O LEU A 96 -17.937 -5.635 -3.491 1.00 0.00 O ATOM 1433 CB LEU A 96 -17.107 -3.407 -5.105 1.00 0.00 C ATOM 1434 CG LEU A 96 -17.124 -2.027 -5.805 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -15.722 -1.436 -6.015 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -17.806 -2.095 -7.171 1.00 0.00 C ATOM 0 H LEU A 96 -15.335 -3.086 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.268 -2.779 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.153 -3.896 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.883 -4.039 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.683 -1.381 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.805 -0.469 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.233 -1.308 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.132 -2.111 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.798 -1.107 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.271 -2.797 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.836 -2.429 -7.047 1.00 0.00 H new ATOM 1448 N ASN A 97 -16.920 -4.786 -1.681 1.00 0.00 N ATOM 1449 CA ASN A 97 -16.771 -6.034 -0.941 1.00 0.00 C ATOM 1450 C ASN A 97 -17.012 -5.816 0.549 1.00 0.00 C ATOM 1451 O ASN A 97 -17.677 -6.633 1.186 1.00 0.00 O ATOM 1452 CB ASN A 97 -15.360 -6.602 -1.160 1.00 0.00 C ATOM 1453 CG ASN A 97 -15.310 -7.584 -2.318 1.00 0.00 C ATOM 1454 OD1 ASN A 97 -15.467 -8.783 -2.110 1.00 0.00 O ATOM 1455 ND2 ASN A 97 -15.030 -7.138 -3.531 1.00 0.00 N ATOM 0 H ASN A 97 -16.566 -3.980 -1.166 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.512 -6.743 -1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.666 -5.783 -1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.025 -7.099 -0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.942 -7.793 -4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.902 -6.139 -3.690 1.00 0.00 H new ATOM 1462 N GLY A 98 -16.463 -4.747 1.135 1.00 0.00 N ATOM 1463 CA GLY A 98 -16.709 -4.421 2.540 1.00 0.00 C ATOM 1464 C GLY A 98 -16.227 -3.038 2.976 1.00 0.00 C ATOM 1465 O GLY A 98 -16.277 -2.740 4.169 1.00 0.00 O ATOM 0 H GLY A 98 -15.844 -4.093 0.655 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.779 -4.493 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.222 -5.172 3.162 1.00 0.00 H new ATOM 1469 N PHE A 99 -15.706 -2.221 2.058 1.00 0.00 N ATOM 1470 CA PHE A 99 -15.198 -0.884 2.337 1.00 0.00 C ATOM 1471 C PHE A 99 -16.023 0.133 1.538 1.00 0.00 C ATOM 1472 O PHE A 99 -16.854 -0.246 0.716 1.00 0.00 O ATOM 1473 CB PHE A 99 -13.690 -0.819 2.022 1.00 0.00 C ATOM 1474 CG PHE A 99 -12.771 -1.578 2.977 1.00 0.00 C ATOM 1475 CD1 PHE A 99 -12.779 -2.989 3.018 1.00 0.00 C ATOM 1476 CD2 PHE A 99 -11.842 -0.877 3.781 1.00 0.00 C ATOM 1477 CE1 PHE A 99 -11.941 -3.681 3.915 1.00 0.00 C ATOM 1478 CE2 PHE A 99 -10.967 -1.570 4.635 1.00 0.00 C ATOM 1479 CZ PHE A 99 -11.032 -2.974 4.724 1.00 0.00 C ATOM 0 H PHE A 99 -15.625 -2.482 1.075 1.00 0.00 H new ATOM 0 HA PHE A 99 -15.304 -0.639 3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -13.533 -1.205 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -13.386 0.228 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -13.431 -3.541 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -11.805 0.202 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.996 -4.757 3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.244 -1.025 5.224 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.388 -3.505 5.409 1.00 0.00 H new ATOM 1489 N LYS A 100 -15.812 1.422 1.793 1.00 0.00 N ATOM 1490 CA LYS A 100 -16.464 2.555 1.154 1.00 0.00 C ATOM 1491 C LYS A 100 -15.687 2.995 -0.085 1.00 0.00 C ATOM 1492 O LYS A 100 -16.248 2.964 -1.179 1.00 0.00 O ATOM 1493 CB LYS A 100 -16.572 3.708 2.152 1.00 0.00 C ATOM 1494 CG LYS A 100 -17.530 4.804 1.678 1.00 0.00 C ATOM 1495 CD LYS A 100 -18.972 4.621 2.176 1.00 0.00 C ATOM 1496 CE LYS A 100 -19.868 3.749 1.299 1.00 0.00 C ATOM 1497 NZ LYS A 100 -20.356 4.444 0.088 1.00 0.00 N ATOM 0 H LYS A 100 -15.137 1.719 2.498 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.464 2.258 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.913 3.322 3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.584 4.138 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -17.158 5.771 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.531 4.827 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.940 4.187 3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -19.432 5.605 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.316 2.858 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.723 3.413 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -20.957 3.799 -0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.909 5.280 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.546 4.742 -0.492 1.00 0.00 H new ATOM 1511 N SER A 101 -14.435 3.431 0.072 1.00 0.00 N ATOM 1512 CA SER A 101 -13.620 3.978 -1.008 1.00 0.00 C ATOM 1513 C SER A 101 -12.158 3.585 -0.773 1.00 0.00 C ATOM 1514 O SER A 101 -11.703 3.519 0.373 1.00 0.00 O ATOM 1515 CB SER A 101 -13.769 5.514 -1.072 1.00 0.00 C ATOM 1516 OG SER A 101 -15.125 5.955 -1.042 1.00 0.00 O ATOM 0 H SER A 101 -13.953 3.412 0.971 1.00 0.00 H new ATOM 0 HA SER A 101 -13.955 3.571 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.232 5.959 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.296 5.879 -1.984 1.00 0.00 H new ATOM 0 HG SER A 101 -15.152 6.934 -1.084 1.00 0.00 H new ATOM 1522 N ALA A 102 -11.409 3.353 -1.852 1.00 0.00 N ATOM 1523 CA ALA A 102 -9.970 3.113 -1.828 1.00 0.00 C ATOM 1524 C ALA A 102 -9.295 3.894 -2.951 1.00 0.00 C ATOM 1525 O ALA A 102 -9.967 4.446 -3.818 1.00 0.00 O ATOM 1526 CB ALA A 102 -9.682 1.616 -1.950 1.00 0.00 C ATOM 0 H ALA A 102 -11.801 3.327 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.564 3.458 -0.877 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.605 1.450 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.146 1.087 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.090 1.242 -2.889 1.00 0.00 H new ATOM 1532 N TYR A 103 -7.966 3.911 -2.947 1.00 0.00 N ATOM 1533 CA TYR A 103 -7.094 4.646 -3.847 1.00 0.00 C ATOM 1534 C TYR A 103 -5.900 3.792 -4.272 1.00 0.00 C ATOM 1535 O TYR A 103 -5.602 2.783 -3.634 1.00 0.00 O ATOM 1536 CB TYR A 103 -6.574 5.891 -3.120 1.00 0.00 C ATOM 1537 CG TYR A 103 -7.404 7.140 -3.281 1.00 0.00 C ATOM 1538 CD1 TYR A 103 -8.627 7.288 -2.605 1.00 0.00 C ATOM 1539 CD2 TYR A 103 -6.909 8.189 -4.070 1.00 0.00 C ATOM 1540 CE1 TYR A 103 -9.380 8.461 -2.766 1.00 0.00 C ATOM 1541 CE2 TYR A 103 -7.631 9.380 -4.205 1.00 0.00 C ATOM 1542 CZ TYR A 103 -8.896 9.511 -3.585 1.00 0.00 C ATOM 1543 OH TYR A 103 -9.629 10.645 -3.756 1.00 0.00 O ATOM 0 H TYR A 103 -7.435 3.371 -2.264 1.00 0.00 H new ATOM 0 HA TYR A 103 -7.661 4.921 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -6.498 5.663 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.565 6.100 -3.474 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -8.987 6.499 -1.962 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.962 8.076 -4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.331 8.564 -2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.224 10.198 -4.781 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.147 11.260 -4.347 1.00 0.00 H new ATOM 1553 N ALA A 104 -5.172 4.244 -5.298 1.00 0.00 N ATOM 1554 CA ALA A 104 -3.881 3.708 -5.722 1.00 0.00 C ATOM 1555 C ALA A 104 -2.847 4.834 -5.832 1.00 0.00 C ATOM 1556 O ALA A 104 -3.202 6.017 -5.912 1.00 0.00 O ATOM 1557 CB ALA A 104 -4.038 2.989 -7.071 1.00 0.00 C ATOM 0 H ALA A 104 -5.481 5.025 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.530 2.993 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.073 2.590 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.752 2.172 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.400 3.694 -7.819 1.00 0.00 H new ATOM 1563 N ILE A 105 -1.572 4.453 -5.898 1.00 0.00 N ATOM 1564 CA ILE A 105 -0.408 5.288 -6.180 1.00 0.00 C ATOM 1565 C ILE A 105 0.224 4.678 -7.428 1.00 0.00 C ATOM 1566 O ILE A 105 0.436 3.466 -7.497 1.00 0.00 O ATOM 1567 CB ILE A 105 0.563 5.399 -4.963 1.00 0.00 C ATOM 1568 CG1 ILE A 105 2.057 5.451 -5.363 1.00 0.00 C ATOM 1569 CG2 ILE A 105 0.351 4.318 -3.905 1.00 0.00 C ATOM 1570 CD1 ILE A 105 3.041 5.574 -4.193 1.00 0.00 C ATOM 0 H ILE A 105 -1.308 3.480 -5.744 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.684 6.327 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 105 0.300 6.359 -4.518 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.298 4.549 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.208 6.296 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.062 4.461 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.665 4.385 -3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.504 3.336 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.061 5.603 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.836 6.490 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.927 4.716 -3.530 1.00 0.00 H new ATOM 1582 N LYS A 106 0.497 5.510 -8.427 1.00 0.00 N ATOM 1583 CA LYS A 106 1.216 5.095 -9.618 1.00 0.00 C ATOM 1584 C LYS A 106 2.654 4.748 -9.228 1.00 0.00 C ATOM 1585 O LYS A 106 3.196 5.346 -8.300 1.00 0.00 O ATOM 1586 CB LYS A 106 1.216 6.260 -10.616 1.00 0.00 C ATOM 1587 CG LYS A 106 1.221 5.803 -12.082 1.00 0.00 C ATOM 1588 CD LYS A 106 -0.146 5.276 -12.557 1.00 0.00 C ATOM 1589 CE LYS A 106 -0.024 4.801 -14.009 1.00 0.00 C ATOM 1590 NZ LYS A 106 -1.261 4.167 -14.518 1.00 0.00 N ATOM 0 H LYS A 106 0.224 6.493 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 106 0.742 4.224 -10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 106 0.338 6.881 -10.439 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.090 6.885 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 106 1.521 6.638 -12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 106 1.969 5.021 -12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.475 4.455 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.899 6.061 -12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.229 5.651 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.799 4.090 -14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.066 3.177 -14.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -1.996 4.200 -13.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.591 4.678 -15.361 1.00 0.00 H new ATOM 1604 N ASP A 107 3.302 3.867 -9.992 1.00 0.00 N ATOM 1605 CA ASP A 107 4.734 3.553 -9.881 1.00 0.00 C ATOM 1606 C ASP A 107 5.099 2.857 -8.559 1.00 0.00 C ATOM 1607 O ASP A 107 6.280 2.631 -8.293 1.00 0.00 O ATOM 1608 CB ASP A 107 5.629 4.793 -10.087 1.00 0.00 C ATOM 1609 CG ASP A 107 5.166 5.745 -11.180 1.00 0.00 C ATOM 1610 OD1 ASP A 107 5.209 5.366 -12.369 1.00 0.00 O ATOM 1611 OD2 ASP A 107 4.797 6.903 -10.862 1.00 0.00 O ATOM 0 H ASP A 107 2.835 3.335 -10.727 1.00 0.00 H new ATOM 0 HA ASP A 107 4.929 2.850 -10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.685 5.342 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.640 4.458 -10.321 1.00 0.00 H new ATOM 1616 N GLY A 108 4.101 2.509 -7.739 1.00 0.00 N ATOM 1617 CA GLY A 108 4.218 1.903 -6.426 1.00 0.00 C ATOM 1618 C GLY A 108 5.362 2.475 -5.599 1.00 0.00 C ATOM 1619 O GLY A 108 5.380 3.673 -5.322 1.00 0.00 O ATOM 0 H GLY A 108 3.127 2.657 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.282 2.042 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.363 0.829 -6.541 1.00 0.00 H new ATOM 1623 N ALA A 109 6.296 1.628 -5.168 1.00 0.00 N ATOM 1624 CA ALA A 109 7.380 1.975 -4.258 1.00 0.00 C ATOM 1625 C ALA A 109 8.754 1.559 -4.783 1.00 0.00 C ATOM 1626 O ALA A 109 9.725 1.652 -4.036 1.00 0.00 O ATOM 1627 CB ALA A 109 7.107 1.385 -2.870 1.00 0.00 C ATOM 0 H ALA A 109 6.317 0.649 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 109 7.408 3.062 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.922 1.649 -2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.171 1.786 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.034 0.300 -2.944 1.00 0.00 H new ATOM 1633 N GLU A 110 8.858 1.124 -6.037 1.00 0.00 N ATOM 1634 CA GLU A 110 10.124 0.863 -6.709 1.00 0.00 C ATOM 1635 C GLU A 110 10.195 1.536 -8.083 1.00 0.00 C ATOM 1636 O GLU A 110 11.295 1.651 -8.630 1.00 0.00 O ATOM 1637 CB GLU A 110 10.355 -0.644 -6.878 1.00 0.00 C ATOM 1638 CG GLU A 110 10.567 -1.403 -5.566 1.00 0.00 C ATOM 1639 CD GLU A 110 11.416 -2.639 -5.852 1.00 0.00 C ATOM 1640 OE1 GLU A 110 10.886 -3.600 -6.457 1.00 0.00 O ATOM 1641 OE2 GLU A 110 12.633 -2.565 -5.554 1.00 0.00 O ATOM 0 H GLU A 110 8.045 0.940 -6.625 1.00 0.00 H new ATOM 0 HA GLU A 110 10.904 1.285 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.499 -1.074 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 110 11.225 -0.796 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 110 11.063 -0.764 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.608 -1.693 -5.137 1.00 0.00 H new ATOM 1648 N GLY A 111 9.074 1.993 -8.650 1.00 0.00 N ATOM 1649 CA GLY A 111 9.074 2.688 -9.927 1.00 0.00 C ATOM 1650 C GLY A 111 9.860 3.999 -9.832 1.00 0.00 C ATOM 1651 O GLY A 111 9.974 4.561 -8.738 1.00 0.00 O ATOM 0 H GLY A 111 8.149 1.889 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.514 2.050 -10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.049 2.895 -10.234 1.00 0.00 H new ATOM 1655 N PRO A 112 10.350 4.552 -10.957 1.00 0.00 N ATOM 1656 CA PRO A 112 11.202 5.744 -10.977 1.00 0.00 C ATOM 1657 C PRO A 112 10.530 7.010 -10.432 1.00 0.00 C ATOM 1658 O PRO A 112 11.207 8.000 -10.159 1.00 0.00 O ATOM 1659 CB PRO A 112 11.652 5.923 -12.432 1.00 0.00 C ATOM 1660 CG PRO A 112 10.644 5.105 -13.236 1.00 0.00 C ATOM 1661 CD PRO A 112 10.257 3.979 -12.286 1.00 0.00 C ATOM 0 HA PRO A 112 12.046 5.594 -10.303 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.640 6.972 -12.727 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.669 5.561 -12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.779 5.703 -13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.083 4.720 -14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.248 3.621 -12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.926 3.125 -12.394 1.00 0.00 H new ATOM 1669 N ARG A 113 9.209 6.982 -10.237 1.00 0.00 N ATOM 1670 CA ARG A 113 8.417 8.066 -9.663 1.00 0.00 C ATOM 1671 C ARG A 113 7.576 7.581 -8.474 1.00 0.00 C ATOM 1672 O ARG A 113 6.694 8.320 -8.028 1.00 0.00 O ATOM 1673 CB ARG A 113 7.569 8.688 -10.790 1.00 0.00 C ATOM 1674 CG ARG A 113 8.364 9.573 -11.767 1.00 0.00 C ATOM 1675 CD ARG A 113 8.408 11.053 -11.359 1.00 0.00 C ATOM 1676 NE ARG A 113 9.003 11.266 -10.027 1.00 0.00 N ATOM 1677 CZ ARG A 113 10.059 12.025 -9.731 1.00 0.00 C ATOM 1678 NH1 ARG A 113 10.537 12.891 -10.613 1.00 0.00 N ATOM 1679 NH2 ARG A 113 10.634 11.961 -8.536 1.00 0.00 N ATOM 0 H ARG A 113 8.643 6.171 -10.485 1.00 0.00 H new ATOM 0 HA ARG A 113 9.070 8.836 -9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.089 7.887 -11.352 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.773 9.284 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 113 9.384 9.194 -11.840 1.00 0.00 H new ATOM 0 HG3 ARG A 113 7.922 9.491 -12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 113 8.980 11.612 -12.100 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.396 11.457 -11.367 1.00 0.00 H new ATOM 0 HE ARG A 113 8.559 10.780 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 113 10.097 12.982 -11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 113 11.345 13.467 -10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 113 10.269 11.324 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 113 11.441 12.549 -8.326 1.00 0.00 H new ATOM 1693 N GLY A 114 7.814 6.369 -7.975 1.00 0.00 N ATOM 1694 CA GLY A 114 7.070 5.785 -6.870 1.00 0.00 C ATOM 1695 C GLY A 114 7.491 6.374 -5.523 1.00 0.00 C ATOM 1696 O GLY A 114 8.177 7.397 -5.461 1.00 0.00 O ATOM 0 H GLY A 114 8.545 5.757 -8.338 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.004 5.953 -7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 114 7.225 4.706 -6.858 1.00 0.00 H new ATOM 1700 N TRP A 115 7.046 5.724 -4.447 1.00 0.00 N ATOM 1701 CA TRP A 115 7.175 6.104 -3.044 1.00 0.00 C ATOM 1702 C TRP A 115 8.606 6.512 -2.693 1.00 0.00 C ATOM 1703 O TRP A 115 8.831 7.645 -2.262 1.00 0.00 O ATOM 1704 CB TRP A 115 6.680 4.945 -2.155 1.00 0.00 C ATOM 1705 CG TRP A 115 6.474 5.229 -0.695 1.00 0.00 C ATOM 1706 CD1 TRP A 115 7.437 5.270 0.253 1.00 0.00 C ATOM 1707 CD2 TRP A 115 5.218 5.455 0.009 1.00 0.00 C ATOM 1708 NE1 TRP A 115 6.870 5.505 1.493 1.00 0.00 N ATOM 1709 CE2 TRP A 115 5.497 5.638 1.397 1.00 0.00 C ATOM 1710 CE3 TRP A 115 3.867 5.527 -0.395 1.00 0.00 C ATOM 1711 CZ2 TRP A 115 4.477 5.899 2.329 1.00 0.00 C ATOM 1712 CZ3 TRP A 115 2.834 5.711 0.538 1.00 0.00 C ATOM 1713 CH2 TRP A 115 3.136 5.884 1.898 1.00 0.00 C ATOM 0 H TRP A 115 6.543 4.842 -4.546 1.00 0.00 H new ATOM 0 HA TRP A 115 6.555 6.981 -2.861 1.00 0.00 H new ATOM 0 HB2 TRP A 115 5.735 4.587 -2.564 1.00 0.00 H new ATOM 0 HB3 TRP A 115 7.395 4.127 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 115 8.493 5.139 0.069 1.00 0.00 H new ATOM 0 HE1 TRP A 115 7.396 5.571 2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.623 5.439 -1.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.718 6.108 3.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 1.805 5.719 0.209 1.00 0.00 H new ATOM 0 HH2 TRP A 115 2.338 6.006 2.616 1.00 0.00 H new ATOM 1724 N LEU A 116 9.562 5.584 -2.841 1.00 0.00 N ATOM 1725 CA LEU A 116 10.963 5.817 -2.497 1.00 0.00 C ATOM 1726 C LEU A 116 11.485 7.000 -3.313 1.00 0.00 C ATOM 1727 O LEU A 116 12.098 7.916 -2.769 1.00 0.00 O ATOM 1728 CB LEU A 116 11.800 4.537 -2.732 1.00 0.00 C ATOM 1729 CG LEU A 116 11.504 3.384 -1.752 1.00 0.00 C ATOM 1730 CD1 LEU A 116 12.304 2.130 -2.132 1.00 0.00 C ATOM 1731 CD2 LEU A 116 11.858 3.765 -0.310 1.00 0.00 C ATOM 0 H LEU A 116 9.380 4.649 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 116 11.051 6.062 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 116 11.624 4.186 -3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.857 4.793 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 116 10.435 3.181 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.080 1.329 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.030 1.815 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.370 2.355 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.636 2.928 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 116 12.919 4.006 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.271 4.632 -0.008 1.00 0.00 H new ATOM 1743 N ASN A 117 11.165 7.034 -4.608 1.00 0.00 N ATOM 1744 CA ASN A 117 11.527 8.097 -5.545 1.00 0.00 C ATOM 1745 C ASN A 117 10.653 9.352 -5.354 1.00 0.00 C ATOM 1746 O ASN A 117 10.446 10.117 -6.301 1.00 0.00 O ATOM 1747 CB ASN A 117 11.467 7.578 -6.999 1.00 0.00 C ATOM 1748 CG ASN A 117 12.457 6.454 -7.311 1.00 0.00 C ATOM 1749 OD1 ASN A 117 12.476 5.420 -6.644 1.00 0.00 O ATOM 1750 ND2 ASN A 117 13.268 6.583 -8.347 1.00 0.00 N ATOM 0 H ASN A 117 10.624 6.291 -5.050 1.00 0.00 H new ATOM 0 HA ASN A 117 12.554 8.396 -5.333 1.00 0.00 H new ATOM 0 HB2 ASN A 117 10.457 7.223 -7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.656 8.410 -7.677 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.907 5.827 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.255 7.439 -8.902 1.00 0.00 H new ATOM 1757 N SER A 118 10.094 9.571 -4.161 1.00 0.00 N ATOM 1758 CA SER A 118 9.274 10.714 -3.770 1.00 0.00 C ATOM 1759 C SER A 118 9.694 11.220 -2.380 1.00 0.00 C ATOM 1760 O SER A 118 8.910 11.867 -1.688 1.00 0.00 O ATOM 1761 CB SER A 118 7.793 10.311 -3.855 1.00 0.00 C ATOM 1762 OG SER A 118 6.911 11.419 -3.937 1.00 0.00 O ATOM 0 H SER A 118 10.212 8.909 -3.394 1.00 0.00 H new ATOM 0 HA SER A 118 9.425 11.552 -4.450 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.647 9.675 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.535 9.715 -2.979 1.00 0.00 H new ATOM 0 HG SER A 118 7.156 12.083 -3.259 1.00 0.00 H new ATOM 1768 N SER A 119 10.931 10.940 -1.950 1.00 0.00 N ATOM 1769 CA SER A 119 11.536 11.319 -0.668 1.00 0.00 C ATOM 1770 C SER A 119 10.876 10.659 0.554 1.00 0.00 C ATOM 1771 O SER A 119 11.171 11.052 1.688 1.00 0.00 O ATOM 1772 CB SER A 119 11.642 12.859 -0.557 1.00 0.00 C ATOM 1773 OG SER A 119 10.394 13.504 -0.348 1.00 0.00 O ATOM 0 H SER A 119 11.579 10.406 -2.529 1.00 0.00 H new ATOM 0 HA SER A 119 12.549 10.916 -0.659 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.313 13.110 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.095 13.250 -1.468 1.00 0.00 H new ATOM 0 HG SER A 119 9.668 12.857 -0.466 1.00 0.00 H new ATOM 1779 N LEU A 120 9.934 9.732 0.342 1.00 0.00 N ATOM 1780 CA LEU A 120 9.033 9.278 1.390 1.00 0.00 C ATOM 1781 C LEU A 120 9.729 8.331 2.378 1.00 0.00 C ATOM 1782 O LEU A 120 10.694 7.651 2.018 1.00 0.00 O ATOM 1783 CB LEU A 120 7.795 8.604 0.777 1.00 0.00 C ATOM 1784 CG LEU A 120 6.800 9.568 0.113 1.00 0.00 C ATOM 1785 CD1 LEU A 120 5.623 8.796 -0.486 1.00 0.00 C ATOM 1786 CD2 LEU A 120 6.240 10.564 1.130 1.00 0.00 C ATOM 0 H LEU A 120 9.781 9.281 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 120 8.717 10.157 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.124 7.876 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.276 8.050 1.559 1.00 0.00 H new ATOM 0 HG LEU A 120 7.341 10.101 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.929 9.495 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.991 8.096 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.110 8.246 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.538 11.235 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.725 10.023 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.057 11.145 1.558 1.00 0.00 H new ATOM 1798 N PRO A 121 9.226 8.265 3.623 1.00 0.00 N ATOM 1799 CA PRO A 121 9.848 7.506 4.704 1.00 0.00 C ATOM 1800 C PRO A 121 9.660 5.991 4.555 1.00 0.00 C ATOM 1801 O PRO A 121 8.681 5.518 3.955 1.00 0.00 O ATOM 1802 CB PRO A 121 9.172 8.027 5.975 1.00 0.00 C ATOM 1803 CG PRO A 121 7.815 8.503 5.503 1.00 0.00 C ATOM 1804 CD PRO A 121 8.086 9.031 4.118 1.00 0.00 C ATOM 0 HA PRO A 121 10.929 7.645 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 121 9.080 7.244 6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.744 8.838 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.088 7.691 5.487 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.413 9.278 6.156 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.217 8.903 3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.311 10.097 4.142 1.00 0.00 H new ATOM 1812 N TRP A 122 10.562 5.218 5.175 1.00 0.00 N ATOM 1813 CA TRP A 122 10.615 3.765 5.056 1.00 0.00 C ATOM 1814 C TRP A 122 10.980 3.096 6.391 1.00 0.00 C ATOM 1815 O TRP A 122 11.680 3.673 7.226 1.00 0.00 O ATOM 1816 CB TRP A 122 11.620 3.414 3.957 1.00 0.00 C ATOM 1817 CG TRP A 122 11.330 2.138 3.243 1.00 0.00 C ATOM 1818 CD1 TRP A 122 12.097 1.032 3.269 1.00 0.00 C ATOM 1819 CD2 TRP A 122 10.245 1.854 2.317 1.00 0.00 C ATOM 1820 NE1 TRP A 122 11.601 0.104 2.378 1.00 0.00 N ATOM 1821 CE2 TRP A 122 10.422 0.537 1.805 1.00 0.00 C ATOM 1822 CE3 TRP A 122 9.154 2.599 1.824 1.00 0.00 C ATOM 1823 CZ2 TRP A 122 9.521 -0.023 0.890 1.00 0.00 C ATOM 1824 CZ3 TRP A 122 8.243 2.040 0.910 1.00 0.00 C ATOM 1825 CH2 TRP A 122 8.418 0.724 0.457 1.00 0.00 C ATOM 0 H TRP A 122 11.287 5.598 5.784 1.00 0.00 H new ATOM 0 HA TRP A 122 9.629 3.384 4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 122 11.643 4.226 3.230 1.00 0.00 H new ATOM 0 HB3 TRP A 122 12.615 3.352 4.398 1.00 0.00 H new ATOM 0 HD1 TRP A 122 12.968 0.893 3.893 1.00 0.00 H new ATOM 0 HE1 TRP A 122 12.048 -0.789 2.169 1.00 0.00 H new ATOM 0 HE3 TRP A 122 9.015 3.618 2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 9.676 -1.026 0.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 7.407 2.625 0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 122 7.703 0.287 -0.225 1.00 0.00 H new ATOM 1836 N ILE A 123 10.464 1.883 6.609 1.00 0.00 N ATOM 1837 CA ILE A 123 10.600 1.081 7.830 1.00 0.00 C ATOM 1838 C ILE A 123 11.853 0.209 7.751 1.00 0.00 C ATOM 1839 O ILE A 123 12.483 -0.024 8.778 1.00 0.00 O ATOM 1840 CB ILE A 123 9.335 0.201 8.087 1.00 0.00 C ATOM 1841 CG1 ILE A 123 8.056 1.059 8.186 1.00 0.00 C ATOM 1842 CG2 ILE A 123 9.484 -0.702 9.327 1.00 0.00 C ATOM 1843 CD1 ILE A 123 6.758 0.302 8.351 1.00 0.00 C ATOM 0 H ILE A 123 9.909 1.407 5.898 1.00 0.00 H new ATOM 0 HA ILE A 123 10.697 1.767 8.671 1.00 0.00 H new ATOM 0 HB ILE A 123 9.240 -0.455 7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 123 8.165 1.741 9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.984 1.672 7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 123 8.577 -1.292 9.459 1.00 0.00 H new ATOM 0 HG22 ILE A 123 10.334 -1.370 9.190 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.646 -0.084 10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.930 1.008 8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.612 -0.360 7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.795 -0.289 9.266 1.00 0.00 H new ATOM 1855 N GLU A 124 12.181 -0.293 6.557 1.00 0.00 N ATOM 1856 CA GLU A 124 13.277 -1.232 6.296 1.00 0.00 C ATOM 1857 C GLU A 124 13.109 -2.605 6.985 1.00 0.00 C ATOM 1858 O GLU A 124 12.320 -2.758 7.929 1.00 0.00 O ATOM 1859 CB GLU A 124 14.632 -0.565 6.620 1.00 0.00 C ATOM 1860 CG GLU A 124 15.051 0.301 5.433 1.00 0.00 C ATOM 1861 CD GLU A 124 16.473 0.802 5.587 1.00 0.00 C ATOM 1862 OE1 GLU A 124 17.402 0.006 5.328 1.00 0.00 O ATOM 1863 OE2 GLU A 124 16.620 1.989 5.961 1.00 0.00 O ATOM 0 H GLU A 124 11.669 -0.046 5.710 1.00 0.00 H new ATOM 0 HA GLU A 124 13.250 -1.466 5.232 1.00 0.00 H new ATOM 0 HB2 GLU A 124 14.547 0.044 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 124 15.388 -1.324 6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.965 -0.276 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.373 1.149 5.343 1.00 0.00 H new ATOM 1870 N PRO A 125 13.864 -3.628 6.550 1.00 0.00 N ATOM 1871 CA PRO A 125 14.059 -4.849 7.329 1.00 0.00 C ATOM 1872 C PRO A 125 14.949 -4.632 8.572 1.00 0.00 C ATOM 1873 O PRO A 125 15.334 -3.511 8.903 1.00 0.00 O ATOM 1874 CB PRO A 125 14.700 -5.808 6.334 1.00 0.00 C ATOM 1875 CG PRO A 125 15.621 -4.892 5.541 1.00 0.00 C ATOM 1876 CD PRO A 125 14.799 -3.619 5.417 1.00 0.00 C ATOM 0 HA PRO A 125 13.123 -5.225 7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 125 15.252 -6.604 6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 125 13.957 -6.288 5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.563 -4.717 6.060 1.00 0.00 H new ATOM 0 HG3 PRO A 125 15.868 -5.311 4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 125 15.439 -2.737 5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.262 -3.592 4.469 1.00 0.00 H new