USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 ASN :FLIP amide:sc= 0.0436 F(o=-4.3,f=-1.7) USER MOD Set 1.2: A 88 MET CE :methyl -138:sc= -1.73 (180deg=-2.92!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -167:sc= -0.994 (180deg=-1.67!) USER MOD Single : A 29 MET CE :methyl 173:sc= -0.0744 (180deg=-0.139) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 34:sc= 0.188 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot -22:sc= 0.421 USER MOD Single : A 41 GLN : amide:sc= -2.92! C(o=-2.9!,f=-6.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 47 SER OG : rot 160:sc= -2.74! USER MOD Single : A 56 SER OG : rot 34:sc= 1.13 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 17:sc= 0.16 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -3.32 X(o=-3.3,f=-3.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 140:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= -0.319 (180deg=-0.319) USER MOD Single : A 104 HIS : no HD1:sc= -0.662 X(o=-0.66,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.829 4.063 -14.347 1.00 0.00 N ATOM 60 CA GLY A 7 8.746 2.965 -13.400 1.00 0.00 C ATOM 61 C GLY A 7 7.724 1.922 -13.858 1.00 0.00 C ATOM 62 O GLY A 7 7.265 1.956 -14.998 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.725 2.498 -13.293 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.466 3.347 -12.418 1.00 0.00 H new ATOM 66 N TYR A 8 7.399 1.018 -12.945 1.00 0.00 N ATOM 67 CA TYR A 8 6.440 -0.033 -13.241 1.00 0.00 C ATOM 68 C TYR A 8 5.485 -0.250 -12.065 1.00 0.00 C ATOM 69 O TYR A 8 5.862 -0.060 -10.910 1.00 0.00 O ATOM 70 CB TYR A 8 7.262 -1.305 -13.456 1.00 0.00 C ATOM 71 CG TYR A 8 8.248 -1.608 -12.326 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.780 -1.998 -11.088 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.606 -1.490 -12.544 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.708 -2.283 -10.024 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.534 -1.774 -11.480 1.00 0.00 C ATOM 76 CZ TYR A 8 10.039 -2.157 -10.273 1.00 0.00 C ATOM 77 OH TYR A 8 10.915 -2.426 -9.268 1.00 0.00 O ATOM 0 H TYR A 8 7.783 0.992 -12.000 1.00 0.00 H new ATOM 0 HA TYR A 8 5.839 0.229 -14.112 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.582 -2.150 -13.567 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.814 -1.215 -14.391 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.718 -2.090 -10.917 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.973 -1.185 -13.513 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.355 -2.590 -9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.599 -1.685 -11.637 1.00 0.00 H new ATOM 0 HH TYR A 8 11.832 -2.295 -9.589 1.00 0.00 H new ATOM 87 N VAL A 9 4.265 -0.646 -12.401 1.00 0.00 N ATOM 88 CA VAL A 9 3.253 -0.891 -11.388 1.00 0.00 C ATOM 89 C VAL A 9 3.217 -2.385 -11.061 1.00 0.00 C ATOM 90 O VAL A 9 3.729 -3.204 -11.823 1.00 0.00 O ATOM 91 CB VAL A 9 1.901 -0.348 -11.857 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.851 -0.462 -10.750 1.00 0.00 C ATOM 93 CG2 VAL A 9 2.030 1.096 -12.344 1.00 0.00 C ATOM 0 H VAL A 9 3.955 -0.803 -13.360 1.00 0.00 H new ATOM 0 HA VAL A 9 3.498 -0.363 -10.467 1.00 0.00 H new ATOM 0 HB VAL A 9 1.568 -0.957 -12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.100 -0.069 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.729 -1.508 -10.470 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.175 0.110 -9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.055 1.458 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.395 1.723 -11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.731 1.138 -13.177 1.00 0.00 H new ATOM 103 N PHE A 10 2.606 -2.696 -9.927 1.00 0.00 N ATOM 104 CA PHE A 10 2.496 -4.077 -9.490 1.00 0.00 C ATOM 105 C PHE A 10 1.254 -4.279 -8.619 1.00 0.00 C ATOM 106 O PHE A 10 0.947 -3.448 -7.766 1.00 0.00 O ATOM 107 CB PHE A 10 3.743 -4.384 -8.658 1.00 0.00 C ATOM 108 CG PHE A 10 3.798 -3.640 -7.322 1.00 0.00 C ATOM 109 CD1 PHE A 10 3.190 -4.167 -6.225 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.455 -2.453 -7.231 1.00 0.00 C ATOM 111 CE1 PHE A 10 3.241 -3.477 -4.985 1.00 0.00 C ATOM 112 CE2 PHE A 10 4.506 -1.763 -5.991 1.00 0.00 C ATOM 113 CZ PHE A 10 3.898 -2.290 -4.894 1.00 0.00 C ATOM 0 H PHE A 10 2.182 -2.015 -9.298 1.00 0.00 H new ATOM 0 HA PHE A 10 2.412 -4.735 -10.355 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.785 -5.456 -8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.628 -4.129 -9.241 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.669 -5.110 -6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.938 -2.035 -8.102 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.758 -3.895 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.027 -0.820 -5.919 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.937 -1.765 -3.951 1.00 0.00 H new ATOM 123 N THR A 11 0.573 -5.389 -8.864 1.00 0.00 N ATOM 124 CA THR A 11 -0.628 -5.711 -8.113 1.00 0.00 C ATOM 125 C THR A 11 -0.264 -6.354 -6.774 1.00 0.00 C ATOM 126 O THR A 11 0.813 -6.932 -6.631 1.00 0.00 O ATOM 127 CB THR A 11 -1.512 -6.598 -8.992 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.786 -5.792 -10.135 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.889 -6.849 -8.374 1.00 0.00 C ATOM 0 H THR A 11 0.830 -6.076 -9.572 1.00 0.00 H new ATOM 0 HA THR A 11 -1.191 -4.811 -7.863 1.00 0.00 H new ATOM 0 HB THR A 11 -1.012 -7.551 -9.163 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.353 -6.291 -10.759 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.476 -7.484 -9.038 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.770 -7.344 -7.410 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.403 -5.898 -8.233 1.00 0.00 H new ATOM 137 N VAL A 12 -1.181 -6.233 -5.826 1.00 0.00 N ATOM 138 CA VAL A 12 -0.970 -6.795 -4.503 1.00 0.00 C ATOM 139 C VAL A 12 -2.253 -7.485 -4.035 1.00 0.00 C ATOM 140 O VAL A 12 -3.254 -6.823 -3.763 1.00 0.00 O ATOM 141 CB VAL A 12 -0.492 -5.705 -3.541 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.450 -6.282 -2.483 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.175 -4.557 -4.301 1.00 0.00 C ATOM 0 H VAL A 12 -2.073 -5.753 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.186 -7.552 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.366 -5.304 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.775 -5.486 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.072 -7.049 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.319 -6.723 -2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.505 -3.796 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.035 -4.937 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.539 -4.119 -4.998 1.00 0.00 H new ATOM 153 N GLU A 13 -2.182 -8.805 -3.956 1.00 0.00 N ATOM 154 CA GLU A 13 -3.326 -9.591 -3.526 1.00 0.00 C ATOM 155 C GLU A 13 -3.151 -10.031 -2.071 1.00 0.00 C ATOM 156 O GLU A 13 -2.401 -10.964 -1.787 1.00 0.00 O ATOM 157 CB GLU A 13 -3.537 -10.798 -4.442 1.00 0.00 C ATOM 158 CG GLU A 13 -4.207 -10.381 -5.753 1.00 0.00 C ATOM 159 CD GLU A 13 -4.811 -11.591 -6.469 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.059 -12.232 -7.234 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.012 -11.847 -6.236 1.00 0.00 O ATOM 0 H GLU A 13 -1.350 -9.350 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.217 -8.966 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.578 -11.270 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.153 -11.541 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.987 -9.647 -5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.476 -9.898 -6.401 1.00 0.00 H new ATOM 168 N LEU A 14 -3.856 -9.340 -1.188 1.00 0.00 N ATOM 169 CA LEU A 14 -3.788 -9.647 0.230 1.00 0.00 C ATOM 170 C LEU A 14 -5.081 -10.342 0.660 1.00 0.00 C ATOM 171 O LEU A 14 -6.117 -10.189 0.013 1.00 0.00 O ATOM 172 CB LEU A 14 -3.469 -8.387 1.037 1.00 0.00 C ATOM 173 CG LEU A 14 -2.049 -7.837 0.891 1.00 0.00 C ATOM 174 CD1 LEU A 14 -1.013 -8.957 1.008 1.00 0.00 C ATOM 175 CD2 LEU A 14 -1.898 -7.051 -0.413 1.00 0.00 C ATOM 0 H LEU A 14 -4.478 -8.568 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.971 -10.341 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.171 -7.606 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.648 -8.600 2.091 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.865 -7.142 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.012 -8.539 0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.104 -9.436 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.184 -9.695 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.880 -6.671 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.108 -7.706 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.599 -6.216 -0.418 1.00 0.00 H new ATOM 187 N GLU A 15 -4.980 -11.091 1.748 1.00 0.00 N ATOM 188 CA GLU A 15 -6.129 -11.810 2.271 1.00 0.00 C ATOM 189 C GLU A 15 -6.613 -11.164 3.571 1.00 0.00 C ATOM 190 O GLU A 15 -5.943 -11.253 4.599 1.00 0.00 O ATOM 191 CB GLU A 15 -5.801 -13.289 2.484 1.00 0.00 C ATOM 192 CG GLU A 15 -6.878 -13.975 3.327 1.00 0.00 C ATOM 193 CD GLU A 15 -6.778 -15.497 3.211 1.00 0.00 C ATOM 194 OE1 GLU A 15 -5.773 -16.040 3.718 1.00 0.00 O ATOM 195 OE2 GLU A 15 -7.710 -16.083 2.619 1.00 0.00 O ATOM 0 H GLU A 15 -4.120 -11.216 2.282 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.933 -11.752 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.717 -13.789 1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.834 -13.383 2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.772 -13.678 4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.865 -13.646 3.001 1.00 0.00 H new ATOM 202 N ARG A 16 -7.771 -10.527 3.483 1.00 0.00 N ATOM 203 CA ARG A 16 -8.352 -9.866 4.639 1.00 0.00 C ATOM 204 C ARG A 16 -8.121 -10.702 5.900 1.00 0.00 C ATOM 205 O ARG A 16 -8.756 -11.738 6.087 1.00 0.00 O ATOM 206 CB ARG A 16 -9.854 -9.645 4.451 1.00 0.00 C ATOM 207 CG ARG A 16 -10.231 -8.186 4.714 1.00 0.00 C ATOM 208 CD ARG A 16 -11.687 -7.918 4.330 1.00 0.00 C ATOM 209 NE ARG A 16 -12.411 -7.319 5.474 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.726 -7.061 5.479 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.469 -7.348 4.402 1.00 0.00 N ATOM 212 NH2 ARG A 16 -14.297 -6.517 6.562 1.00 0.00 N ATOM 0 H ARG A 16 -8.323 -10.455 2.628 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.864 -8.897 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.142 -9.921 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.408 -10.295 5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.080 -7.952 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.574 -7.529 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.728 -7.247 3.472 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.170 -8.848 4.030 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.875 -7.088 6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.034 -7.763 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.470 -7.152 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.731 -6.299 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.298 -6.320 6.566 1.00 0.00 H new ATOM 226 N GLY A 17 -7.209 -10.220 6.732 1.00 0.00 N ATOM 227 CA GLY A 17 -6.886 -10.909 7.969 1.00 0.00 C ATOM 228 C GLY A 17 -8.007 -10.744 8.998 1.00 0.00 C ATOM 229 O GLY A 17 -9.061 -10.190 8.689 1.00 0.00 O ATOM 0 H GLY A 17 -6.684 -9.360 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.725 -11.968 7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.954 -10.516 8.375 1.00 0.00 H new ATOM 233 N PRO A 18 -7.734 -11.248 10.231 1.00 0.00 N ATOM 234 CA PRO A 18 -8.707 -11.162 11.307 1.00 0.00 C ATOM 235 C PRO A 18 -8.781 -9.740 11.866 1.00 0.00 C ATOM 236 O PRO A 18 -9.608 -9.451 12.730 1.00 0.00 O ATOM 237 CB PRO A 18 -8.247 -12.182 12.336 1.00 0.00 C ATOM 238 CG PRO A 18 -6.789 -12.467 12.017 1.00 0.00 C ATOM 239 CD PRO A 18 -6.497 -11.911 10.633 1.00 0.00 C ATOM 0 HA PRO A 18 -9.722 -11.381 10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.356 -11.792 13.348 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.845 -13.092 12.278 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.138 -12.004 12.759 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.594 -13.539 12.047 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.662 -11.211 10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.229 -12.705 9.936 1.00 0.00 H new ATOM 247 N SER A 19 -7.906 -8.889 11.351 1.00 0.00 N ATOM 248 CA SER A 19 -7.862 -7.504 11.788 1.00 0.00 C ATOM 249 C SER A 19 -8.356 -6.586 10.669 1.00 0.00 C ATOM 250 O SER A 19 -8.806 -5.471 10.929 1.00 0.00 O ATOM 251 CB SER A 19 -6.448 -7.106 12.216 1.00 0.00 C ATOM 252 OG SER A 19 -5.657 -6.678 11.111 1.00 0.00 O ATOM 0 H SER A 19 -7.222 -9.132 10.635 1.00 0.00 H new ATOM 0 HA SER A 19 -8.518 -7.397 12.652 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.504 -6.305 12.953 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.964 -7.953 12.702 1.00 0.00 H new ATOM 0 HG SER A 19 -4.762 -6.431 11.425 1.00 0.00 H new ATOM 258 N GLY A 20 -8.256 -7.088 9.447 1.00 0.00 N ATOM 259 CA GLY A 20 -8.687 -6.327 8.287 1.00 0.00 C ATOM 260 C GLY A 20 -7.487 -5.772 7.518 1.00 0.00 C ATOM 261 O GLY A 20 -7.407 -4.571 7.266 1.00 0.00 O ATOM 0 H GLY A 20 -7.882 -8.013 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.281 -6.963 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.331 -5.507 8.605 1.00 0.00 H new ATOM 265 N LEU A 21 -6.582 -6.674 7.165 1.00 0.00 N ATOM 266 CA LEU A 21 -5.390 -6.290 6.430 1.00 0.00 C ATOM 267 C LEU A 21 -4.399 -5.623 7.386 1.00 0.00 C ATOM 268 O LEU A 21 -4.147 -6.130 8.478 1.00 0.00 O ATOM 269 CB LEU A 21 -5.759 -5.424 5.224 1.00 0.00 C ATOM 270 CG LEU A 21 -6.968 -5.889 4.410 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.833 -4.701 3.985 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.531 -6.736 3.213 1.00 0.00 C ATOM 0 H LEU A 21 -6.651 -7.670 7.375 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.895 -7.171 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.950 -4.410 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.896 -5.374 4.560 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.583 -6.524 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.685 -5.060 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.190 -4.175 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.241 -4.020 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.410 -7.053 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.882 -6.145 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.990 -7.614 3.567 1.00 0.00 H new ATOM 284 N GLY A 22 -3.864 -4.495 6.941 1.00 0.00 N ATOM 285 CA GLY A 22 -2.907 -3.753 7.743 1.00 0.00 C ATOM 286 C GLY A 22 -2.129 -2.754 6.884 1.00 0.00 C ATOM 287 O GLY A 22 -0.906 -2.837 6.784 1.00 0.00 O ATOM 0 H GLY A 22 -4.076 -4.077 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.429 -3.224 8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.213 -4.445 8.220 1.00 0.00 H new ATOM 291 N MET A 23 -2.870 -1.834 6.284 1.00 0.00 N ATOM 292 CA MET A 23 -2.265 -0.821 5.437 1.00 0.00 C ATOM 293 C MET A 23 -2.690 0.583 5.872 1.00 0.00 C ATOM 294 O MET A 23 -3.797 1.024 5.565 1.00 0.00 O ATOM 295 CB MET A 23 -2.684 -1.054 3.984 1.00 0.00 C ATOM 296 CG MET A 23 -1.464 -1.301 3.095 1.00 0.00 C ATOM 297 SD MET A 23 -1.959 -1.358 1.381 1.00 0.00 S ATOM 298 CE MET A 23 -3.594 -2.053 1.553 1.00 0.00 C ATOM 0 H MET A 23 -3.884 -1.769 6.368 1.00 0.00 H new ATOM 0 HA MET A 23 -1.182 -0.897 5.529 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.358 -1.909 3.929 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.236 -0.189 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.729 -0.510 3.244 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.984 -2.239 3.375 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.959 -2.371 0.576 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.556 -2.912 2.223 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.267 -1.301 1.965 1.00 0.00 H new ATOM 308 N GLY A 24 -1.788 1.247 6.580 1.00 0.00 N ATOM 309 CA GLY A 24 -2.055 2.592 7.061 1.00 0.00 C ATOM 310 C GLY A 24 -2.040 3.598 5.909 1.00 0.00 C ATOM 311 O GLY A 24 -1.175 4.471 5.853 1.00 0.00 O ATOM 0 H GLY A 24 -0.871 0.878 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.024 2.618 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.307 2.872 7.803 1.00 0.00 H new ATOM 315 N LEU A 25 -3.009 3.444 5.018 1.00 0.00 N ATOM 316 CA LEU A 25 -3.118 4.329 3.871 1.00 0.00 C ATOM 317 C LEU A 25 -3.598 5.705 4.337 1.00 0.00 C ATOM 318 O LEU A 25 -4.450 5.803 5.219 1.00 0.00 O ATOM 319 CB LEU A 25 -4.004 3.701 2.793 1.00 0.00 C ATOM 320 CG LEU A 25 -3.724 2.233 2.465 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.529 1.780 1.245 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.225 1.988 2.286 1.00 0.00 C ATOM 0 H LEU A 25 -3.725 2.720 5.068 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.143 4.472 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.044 3.790 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.897 4.284 1.878 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.051 1.626 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.311 0.733 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.594 1.895 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.256 2.388 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.053 0.937 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.850 2.606 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.702 2.246 3.207 1.00 0.00 H new ATOM 334 N ILE A 26 -3.031 6.733 3.724 1.00 0.00 N ATOM 335 CA ILE A 26 -3.390 8.099 4.065 1.00 0.00 C ATOM 336 C ILE A 26 -3.571 8.910 2.781 1.00 0.00 C ATOM 337 O ILE A 26 -2.967 8.599 1.756 1.00 0.00 O ATOM 338 CB ILE A 26 -2.366 8.697 5.031 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.835 10.056 5.556 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.983 8.780 4.382 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.478 10.225 7.035 1.00 0.00 C ATOM 0 H ILE A 26 -2.325 6.648 2.993 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.343 8.122 4.593 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.279 8.032 5.891 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.374 10.854 4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.913 10.148 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.274 9.209 5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.653 7.780 4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.035 9.410 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.822 11.199 7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.960 9.440 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.397 10.157 7.159 1.00 0.00 H new ATOM 353 N ASP A 27 -4.405 9.935 2.879 1.00 0.00 N ATOM 354 CA ASP A 27 -4.672 10.794 1.737 1.00 0.00 C ATOM 355 C ASP A 27 -3.429 11.632 1.432 1.00 0.00 C ATOM 356 O ASP A 27 -2.924 12.339 2.303 1.00 0.00 O ATOM 357 CB ASP A 27 -5.829 11.752 2.028 1.00 0.00 C ATOM 358 CG ASP A 27 -6.185 12.702 0.883 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.475 12.644 -0.144 1.00 0.00 O ATOM 360 OD2 ASP A 27 -7.159 13.466 1.061 1.00 0.00 O ATOM 0 H ASP A 27 -4.905 10.190 3.731 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.934 10.159 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.712 11.165 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.578 12.345 2.907 1.00 0.00 H new ATOM 365 N GLY A 28 -2.972 11.525 0.194 1.00 0.00 N ATOM 366 CA GLY A 28 -1.798 12.265 -0.237 1.00 0.00 C ATOM 367 C GLY A 28 -1.890 13.733 0.182 1.00 0.00 C ATOM 368 O GLY A 28 -0.899 14.326 0.604 1.00 0.00 O ATOM 0 H GLY A 28 -3.393 10.937 -0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.903 11.816 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.699 12.198 -1.320 1.00 0.00 H new ATOM 372 N MET A 29 -3.091 14.278 0.050 1.00 0.00 N ATOM 373 CA MET A 29 -3.326 15.666 0.410 1.00 0.00 C ATOM 374 C MET A 29 -3.047 15.903 1.895 1.00 0.00 C ATOM 375 O MET A 29 -2.843 17.039 2.319 1.00 0.00 O ATOM 376 CB MET A 29 -4.778 16.036 0.097 1.00 0.00 C ATOM 377 CG MET A 29 -5.022 16.070 -1.412 1.00 0.00 C ATOM 378 SD MET A 29 -4.904 17.747 -2.012 1.00 0.00 S ATOM 379 CE MET A 29 -4.041 17.467 -3.550 1.00 0.00 C ATOM 0 H MET A 29 -3.911 13.783 -0.301 1.00 0.00 H new ATOM 0 HA MET A 29 -2.649 16.292 -0.171 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.449 15.314 0.561 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.010 17.010 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.292 15.441 -1.921 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.007 15.662 -1.639 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.993 18.398 -4.115 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.030 17.117 -3.341 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.572 16.715 -4.134 1.00 0.00 H new ATOM 389 N HIS A 30 -3.047 14.811 2.646 1.00 0.00 N ATOM 390 CA HIS A 30 -2.796 14.885 4.075 1.00 0.00 C ATOM 391 C HIS A 30 -1.289 14.838 4.335 1.00 0.00 C ATOM 392 O HIS A 30 -0.794 15.488 5.254 1.00 0.00 O ATOM 393 CB HIS A 30 -3.561 13.788 4.818 1.00 0.00 C ATOM 394 CG HIS A 30 -4.424 14.297 5.948 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.109 14.097 7.281 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.592 15.002 5.929 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.053 14.659 8.022 1.00 0.00 C ATOM 398 NE2 HIS A 30 -5.971 15.218 7.183 1.00 0.00 N ATOM 0 H HIS A 30 -3.217 13.870 2.291 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.167 15.833 4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.190 13.253 4.107 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.847 13.068 5.216 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.119 15.329 5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.089 14.672 9.101 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.811 15.720 7.471 1.00 0.00 H new ATOM 406 N THR A 31 -0.603 14.062 3.509 1.00 0.00 N ATOM 407 CA THR A 31 0.838 13.922 3.638 1.00 0.00 C ATOM 408 C THR A 31 1.551 15.083 2.942 1.00 0.00 C ATOM 409 O THR A 31 1.001 15.696 2.028 1.00 0.00 O ATOM 410 CB THR A 31 1.230 12.550 3.087 1.00 0.00 C ATOM 411 OG1 THR A 31 0.405 12.389 1.936 1.00 0.00 O ATOM 412 CG2 THR A 31 0.809 11.405 4.011 1.00 0.00 C ATOM 0 H THR A 31 -1.018 13.524 2.748 1.00 0.00 H new ATOM 0 HA THR A 31 1.149 13.970 4.682 1.00 0.00 H new ATOM 0 HB THR A 31 2.309 12.515 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.266 13.260 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.111 10.454 3.573 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.289 11.526 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.274 11.419 4.137 1.00 0.00 H new ATOM 420 N HIS A 32 2.765 15.350 3.401 1.00 0.00 N ATOM 421 CA HIS A 32 3.559 16.426 2.834 1.00 0.00 C ATOM 422 C HIS A 32 3.478 16.375 1.307 1.00 0.00 C ATOM 423 O HIS A 32 3.532 17.409 0.643 1.00 0.00 O ATOM 424 CB HIS A 32 4.997 16.372 3.353 1.00 0.00 C ATOM 425 CG HIS A 32 5.466 17.655 3.997 1.00 0.00 C ATOM 426 ND1 HIS A 32 5.353 17.898 5.355 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.052 18.762 3.456 1.00 0.00 C ATOM 428 CE1 HIS A 32 5.850 19.100 5.608 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.282 19.634 4.430 1.00 0.00 N ATOM 0 H HIS A 32 3.218 14.840 4.159 1.00 0.00 H new ATOM 0 HA HIS A 32 3.155 17.387 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.081 15.562 4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.662 16.129 2.525 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.289 18.905 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.904 19.574 6.577 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.711 20.552 4.316 1.00 0.00 H new ATOM 437 N LEU A 33 3.350 15.160 0.794 1.00 0.00 N ATOM 438 CA LEU A 33 3.261 14.960 -0.643 1.00 0.00 C ATOM 439 C LEU A 33 2.371 16.045 -1.250 1.00 0.00 C ATOM 440 O LEU A 33 2.604 16.487 -2.374 1.00 0.00 O ATOM 441 CB LEU A 33 2.797 13.536 -0.957 1.00 0.00 C ATOM 442 CG LEU A 33 3.358 12.916 -2.239 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.621 12.104 -1.947 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.294 12.082 -2.955 1.00 0.00 C ATOM 0 H LEU A 33 3.306 14.304 1.347 1.00 0.00 H new ATOM 0 HA LEU A 33 4.244 15.059 -1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.066 12.894 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.709 13.536 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 33 3.642 13.724 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.000 11.674 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.380 12.755 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.385 11.304 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.718 11.653 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.957 11.281 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.448 12.718 -3.216 1.00 0.00 H new ATOM 456 N GLY A 34 1.369 16.444 -0.481 1.00 0.00 N ATOM 457 CA GLY A 34 0.442 17.469 -0.929 1.00 0.00 C ATOM 458 C GLY A 34 -0.129 17.127 -2.307 1.00 0.00 C ATOM 459 O GLY A 34 -0.614 18.007 -3.017 1.00 0.00 O ATOM 0 H GLY A 34 1.179 16.075 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.370 17.569 -0.209 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.951 18.432 -0.971 1.00 0.00 H new ATOM 463 N ALA A 35 -0.053 15.848 -2.643 1.00 0.00 N ATOM 464 CA ALA A 35 -0.556 15.379 -3.922 1.00 0.00 C ATOM 465 C ALA A 35 -1.824 14.553 -3.695 1.00 0.00 C ATOM 466 O ALA A 35 -1.994 13.948 -2.638 1.00 0.00 O ATOM 467 CB ALA A 35 0.536 14.585 -4.641 1.00 0.00 C ATOM 0 H ALA A 35 0.350 15.122 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.821 16.221 -4.562 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.158 14.233 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.403 15.225 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.826 13.730 -4.030 1.00 0.00 H new ATOM 473 N PRO A 36 -2.705 14.555 -4.732 1.00 0.00 N ATOM 474 CA PRO A 36 -3.952 13.813 -4.655 1.00 0.00 C ATOM 475 C PRO A 36 -3.708 12.312 -4.820 1.00 0.00 C ATOM 476 O PRO A 36 -2.825 11.901 -5.572 1.00 0.00 O ATOM 477 CB PRO A 36 -4.825 14.397 -5.754 1.00 0.00 C ATOM 478 CG PRO A 36 -3.878 15.116 -6.701 1.00 0.00 C ATOM 479 CD PRO A 36 -2.537 15.260 -5.999 1.00 0.00 C ATOM 0 HA PRO A 36 -4.439 13.908 -3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.376 13.613 -6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.563 15.086 -5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.765 14.554 -7.628 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.276 16.095 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.732 14.825 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.284 16.308 -5.839 1.00 0.00 H new ATOM 487 N GLY A 37 -4.505 11.533 -4.104 1.00 0.00 N ATOM 488 CA GLY A 37 -4.387 10.086 -4.161 1.00 0.00 C ATOM 489 C GLY A 37 -4.022 9.511 -2.791 1.00 0.00 C ATOM 490 O GLY A 37 -3.676 10.254 -1.874 1.00 0.00 O ATOM 0 H GLY A 37 -5.236 11.877 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.328 9.654 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.626 9.808 -4.890 1.00 0.00 H new ATOM 494 N LEU A 38 -4.113 8.193 -2.694 1.00 0.00 N ATOM 495 CA LEU A 38 -3.797 7.509 -1.451 1.00 0.00 C ATOM 496 C LEU A 38 -2.383 6.932 -1.537 1.00 0.00 C ATOM 497 O LEU A 38 -1.895 6.636 -2.626 1.00 0.00 O ATOM 498 CB LEU A 38 -4.869 6.467 -1.126 1.00 0.00 C ATOM 499 CG LEU A 38 -6.151 7.000 -0.483 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.294 5.993 -0.623 1.00 0.00 C ATOM 501 CD2 LEU A 38 -5.910 7.395 0.975 1.00 0.00 C ATOM 0 H LEU A 38 -4.401 7.580 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.805 8.210 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.136 5.950 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.434 5.723 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.450 7.903 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.193 6.396 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.485 5.804 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.019 5.060 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.837 7.771 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.573 6.524 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.147 8.173 1.020 1.00 0.00 H new ATOM 513 N TYR A 39 -1.765 6.790 -0.373 1.00 0.00 N ATOM 514 CA TYR A 39 -0.417 6.253 -0.303 1.00 0.00 C ATOM 515 C TYR A 39 -0.202 5.479 0.999 1.00 0.00 C ATOM 516 O TYR A 39 -0.866 5.744 2.000 1.00 0.00 O ATOM 517 CB TYR A 39 0.520 7.462 -0.324 1.00 0.00 C ATOM 518 CG TYR A 39 0.345 8.364 -1.548 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.746 9.205 -1.635 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.278 8.336 -2.564 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.910 10.054 -2.787 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.113 9.184 -3.716 1.00 0.00 C ATOM 523 CZ TYR A 39 0.027 10.001 -3.771 1.00 0.00 C ATOM 524 OH TYR A 39 -0.128 10.803 -4.858 1.00 0.00 O ATOM 0 H TYR A 39 -2.173 7.038 0.528 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.234 5.567 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.354 8.053 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.551 7.110 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.476 9.226 -0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.132 7.678 -2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.758 10.718 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.836 9.172 -4.519 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.071 11.053 -4.948 1.00 0.00 H new ATOM 534 N ILE A 40 0.728 4.538 0.944 1.00 0.00 N ATOM 535 CA ILE A 40 1.039 3.723 2.107 1.00 0.00 C ATOM 536 C ILE A 40 1.821 4.564 3.118 1.00 0.00 C ATOM 537 O ILE A 40 2.753 5.277 2.750 1.00 0.00 O ATOM 538 CB ILE A 40 1.759 2.441 1.686 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.925 1.650 0.676 1.00 0.00 C ATOM 540 CG2 ILE A 40 2.134 1.597 2.906 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.529 0.266 0.429 1.00 0.00 C ATOM 0 H ILE A 40 1.277 4.321 0.112 1.00 0.00 H new ATOM 0 HA ILE A 40 0.123 3.399 2.601 1.00 0.00 H new ATOM 0 HB ILE A 40 2.688 2.719 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.095 1.545 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.869 2.199 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.645 0.691 2.579 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.794 2.171 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.231 1.327 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.917 -0.275 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.540 0.375 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.561 -0.290 1.366 1.00 0.00 H new ATOM 553 N GLN A 41 1.413 4.452 4.374 1.00 0.00 N ATOM 554 CA GLN A 41 2.064 5.192 5.441 1.00 0.00 C ATOM 555 C GLN A 41 2.692 4.228 6.450 1.00 0.00 C ATOM 556 O GLN A 41 3.781 4.482 6.962 1.00 0.00 O ATOM 557 CB GLN A 41 1.081 6.141 6.129 1.00 0.00 C ATOM 558 CG GLN A 41 1.784 7.420 6.589 1.00 0.00 C ATOM 559 CD GLN A 41 0.865 8.262 7.476 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.551 9.404 7.183 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.452 7.636 8.575 1.00 0.00 N ATOM 0 H GLN A 41 0.640 3.860 4.676 1.00 0.00 H new ATOM 0 HA GLN A 41 2.858 5.798 5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.272 6.393 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.628 5.642 6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.690 7.164 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.091 8.003 5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.753 6.679 8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.165 8.113 9.232 1.00 0.00 H new ATOM 570 N THR A 42 1.978 3.142 6.705 1.00 0.00 N ATOM 571 CA THR A 42 2.452 2.138 7.643 1.00 0.00 C ATOM 572 C THR A 42 2.037 0.739 7.183 1.00 0.00 C ATOM 573 O THR A 42 1.259 0.598 6.241 1.00 0.00 O ATOM 574 CB THR A 42 1.923 2.503 9.032 1.00 0.00 C ATOM 575 OG1 THR A 42 0.648 3.085 8.776 1.00 0.00 O ATOM 576 CG2 THR A 42 2.723 3.631 9.686 1.00 0.00 C ATOM 0 H THR A 42 1.075 2.935 6.279 1.00 0.00 H new ATOM 0 HA THR A 42 3.541 2.121 7.687 1.00 0.00 H new ATOM 0 HB THR A 42 1.949 1.622 9.673 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.233 3.349 9.623 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.306 3.850 10.669 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.763 3.324 9.794 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.670 4.523 9.062 1.00 0.00 H new ATOM 584 N LEU A 43 2.574 -0.258 7.869 1.00 0.00 N ATOM 585 CA LEU A 43 2.269 -1.641 7.543 1.00 0.00 C ATOM 586 C LEU A 43 2.226 -2.467 8.830 1.00 0.00 C ATOM 587 O LEU A 43 3.267 -2.790 9.400 1.00 0.00 O ATOM 588 CB LEU A 43 3.255 -2.175 6.502 1.00 0.00 C ATOM 589 CG LEU A 43 3.163 -1.550 5.108 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.512 -1.616 4.388 1.00 0.00 C ATOM 591 CD2 LEU A 43 2.044 -2.198 4.290 1.00 0.00 C ATOM 0 H LEU A 43 3.219 -0.136 8.650 1.00 0.00 H new ATOM 0 HA LEU A 43 1.283 -1.716 7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.267 -2.026 6.879 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.105 -3.250 6.407 1.00 0.00 H new ATOM 0 HG LEU A 43 2.910 -0.496 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.419 -1.165 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.260 -1.073 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.819 -2.657 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.000 -1.736 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.243 -3.264 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.091 -2.056 4.800 1.00 0.00 H new ATOM 603 N LEU A 44 1.010 -2.785 9.251 1.00 0.00 N ATOM 604 CA LEU A 44 0.818 -3.567 10.460 1.00 0.00 C ATOM 605 C LEU A 44 1.721 -4.802 10.413 1.00 0.00 C ATOM 606 O LEU A 44 2.112 -5.248 9.336 1.00 0.00 O ATOM 607 CB LEU A 44 -0.663 -3.896 10.655 1.00 0.00 C ATOM 608 CG LEU A 44 -1.337 -3.260 11.873 1.00 0.00 C ATOM 609 CD1 LEU A 44 -1.134 -1.744 11.883 1.00 0.00 C ATOM 610 CD2 LEU A 44 -2.817 -3.641 11.943 1.00 0.00 C ATOM 0 H LEU A 44 0.149 -2.515 8.776 1.00 0.00 H new ATOM 0 HA LEU A 44 1.111 -2.990 11.337 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.204 -3.585 9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.767 -4.978 10.731 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.861 -3.654 12.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.623 -1.317 12.759 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.068 -1.520 11.917 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.566 -1.313 10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.272 -3.176 12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.325 -3.295 11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.911 -4.724 12.018 1.00 0.00 H new ATOM 622 N PRO A 45 2.033 -5.332 11.626 1.00 0.00 N ATOM 623 CA PRO A 45 2.882 -6.506 11.733 1.00 0.00 C ATOM 624 C PRO A 45 2.120 -7.772 11.337 1.00 0.00 C ATOM 625 O PRO A 45 2.457 -8.420 10.347 1.00 0.00 O ATOM 626 CB PRO A 45 3.350 -6.522 13.179 1.00 0.00 C ATOM 627 CG PRO A 45 2.383 -5.631 13.940 1.00 0.00 C ATOM 628 CD PRO A 45 1.587 -4.830 12.922 1.00 0.00 C ATOM 0 HA PRO A 45 3.733 -6.473 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.345 -7.536 13.580 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.371 -6.151 13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.716 -6.232 14.558 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.925 -4.964 14.611 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.515 -4.974 13.055 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.779 -3.762 13.021 1.00 0.00 H new ATOM 636 N GLY A 46 1.106 -8.087 12.130 1.00 0.00 N ATOM 637 CA GLY A 46 0.293 -9.263 11.875 1.00 0.00 C ATOM 638 C GLY A 46 -0.748 -8.986 10.788 1.00 0.00 C ATOM 639 O GLY A 46 -1.934 -9.248 10.979 1.00 0.00 O ATOM 0 H GLY A 46 0.829 -7.547 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.932 -10.091 11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.208 -9.569 12.793 1.00 0.00 H new ATOM 643 N SER A 47 -0.266 -8.459 9.672 1.00 0.00 N ATOM 644 CA SER A 47 -1.140 -8.143 8.556 1.00 0.00 C ATOM 645 C SER A 47 -0.608 -8.789 7.275 1.00 0.00 C ATOM 646 O SER A 47 0.562 -9.162 7.204 1.00 0.00 O ATOM 647 CB SER A 47 -1.272 -6.629 8.371 1.00 0.00 C ATOM 648 OG SER A 47 -0.040 -5.953 8.607 1.00 0.00 O ATOM 0 H SER A 47 0.719 -8.243 9.517 1.00 0.00 H new ATOM 0 HA SER A 47 -2.130 -8.543 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.614 -6.416 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.032 -6.245 9.052 1.00 0.00 H new ATOM 0 HG SER A 47 -0.065 -5.069 8.184 1.00 0.00 H new ATOM 654 N PRO A 48 -1.516 -8.905 6.270 1.00 0.00 N ATOM 655 CA PRO A 48 -1.150 -9.501 4.996 1.00 0.00 C ATOM 656 C PRO A 48 -0.301 -8.537 4.164 1.00 0.00 C ATOM 657 O PRO A 48 0.683 -8.944 3.547 1.00 0.00 O ATOM 658 CB PRO A 48 -2.471 -9.853 4.332 1.00 0.00 C ATOM 659 CG PRO A 48 -3.529 -9.025 5.044 1.00 0.00 C ATOM 660 CD PRO A 48 -2.910 -8.475 6.319 1.00 0.00 C ATOM 0 HA PRO A 48 -0.528 -10.389 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.446 -9.623 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.682 -10.918 4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.872 -8.212 4.404 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.401 -9.637 5.276 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.988 -7.389 6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -3.414 -8.865 7.204 1.00 0.00 H new ATOM 668 N ALA A 49 -0.712 -7.278 4.174 1.00 0.00 N ATOM 669 CA ALA A 49 -0.001 -6.253 3.428 1.00 0.00 C ATOM 670 C ALA A 49 1.479 -6.280 3.816 1.00 0.00 C ATOM 671 O ALA A 49 2.341 -5.930 3.011 1.00 0.00 O ATOM 672 CB ALA A 49 -0.647 -4.891 3.689 1.00 0.00 C ATOM 0 H ALA A 49 -1.528 -6.944 4.687 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.065 -6.444 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.114 -4.122 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.689 -4.915 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.599 -4.664 4.754 1.00 0.00 H new ATOM 678 N ALA A 50 1.727 -6.699 5.048 1.00 0.00 N ATOM 679 CA ALA A 50 3.088 -6.776 5.552 1.00 0.00 C ATOM 680 C ALA A 50 3.662 -8.162 5.249 1.00 0.00 C ATOM 681 O ALA A 50 4.827 -8.287 4.875 1.00 0.00 O ATOM 682 CB ALA A 50 3.098 -6.456 7.048 1.00 0.00 C ATOM 0 H ALA A 50 1.009 -6.989 5.712 1.00 0.00 H new ATOM 0 HA ALA A 50 3.722 -6.041 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.119 -6.514 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.708 -5.451 7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.474 -7.175 7.578 1.00 0.00 H new ATOM 688 N ALA A 51 2.816 -9.167 5.420 1.00 0.00 N ATOM 689 CA ALA A 51 3.224 -10.539 5.170 1.00 0.00 C ATOM 690 C ALA A 51 3.819 -10.641 3.764 1.00 0.00 C ATOM 691 O ALA A 51 4.868 -11.253 3.572 1.00 0.00 O ATOM 692 CB ALA A 51 2.028 -11.472 5.366 1.00 0.00 C ATOM 0 H ALA A 51 1.850 -9.059 5.729 1.00 0.00 H new ATOM 0 HA ALA A 51 3.995 -10.845 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.335 -12.501 5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.661 -11.383 6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.235 -11.197 4.671 1.00 0.00 H new ATOM 698 N ASP A 52 3.121 -10.032 2.816 1.00 0.00 N ATOM 699 CA ASP A 52 3.567 -10.047 1.433 1.00 0.00 C ATOM 700 C ASP A 52 5.047 -9.664 1.374 1.00 0.00 C ATOM 701 O ASP A 52 5.876 -10.443 0.906 1.00 0.00 O ATOM 702 CB ASP A 52 2.784 -9.038 0.591 1.00 0.00 C ATOM 703 CG ASP A 52 2.718 -9.356 -0.904 1.00 0.00 C ATOM 704 OD1 ASP A 52 2.864 -10.552 -1.237 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.522 -8.396 -1.680 1.00 0.00 O ATOM 0 H ASP A 52 2.251 -9.526 2.978 1.00 0.00 H new ATOM 0 HA ASP A 52 3.405 -11.050 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.767 -8.975 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.235 -8.054 0.718 1.00 0.00 H new ATOM 710 N GLY A 53 5.334 -8.464 1.857 1.00 0.00 N ATOM 711 CA GLY A 53 6.700 -7.968 1.865 1.00 0.00 C ATOM 712 C GLY A 53 6.923 -6.955 0.740 1.00 0.00 C ATOM 713 O GLY A 53 8.000 -6.373 0.629 1.00 0.00 O ATOM 0 H GLY A 53 4.644 -7.821 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.916 -7.502 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.394 -8.801 1.752 1.00 0.00 H new ATOM 717 N ARG A 54 5.886 -6.777 -0.066 1.00 0.00 N ATOM 718 CA ARG A 54 5.955 -5.845 -1.178 1.00 0.00 C ATOM 719 C ARG A 54 5.503 -4.453 -0.733 1.00 0.00 C ATOM 720 O ARG A 54 6.275 -3.497 -0.791 1.00 0.00 O ATOM 721 CB ARG A 54 5.079 -6.311 -2.342 1.00 0.00 C ATOM 722 CG ARG A 54 4.690 -5.135 -3.241 1.00 0.00 C ATOM 723 CD ARG A 54 5.932 -4.429 -3.788 1.00 0.00 C ATOM 724 NE ARG A 54 6.318 -5.020 -5.089 1.00 0.00 N ATOM 725 CZ ARG A 54 7.397 -4.651 -5.791 1.00 0.00 C ATOM 726 NH1 ARG A 54 8.204 -3.689 -5.323 1.00 0.00 N ATOM 727 NH2 ARG A 54 7.670 -5.243 -6.962 1.00 0.00 N ATOM 0 H ARG A 54 4.994 -7.262 0.029 1.00 0.00 H new ATOM 0 HA ARG A 54 6.992 -5.804 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.614 -7.059 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.180 -6.791 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.077 -5.492 -4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.083 -4.427 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.732 -3.364 -3.908 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.755 -4.521 -3.079 1.00 0.00 H new ATOM 0 HE ARG A 54 5.725 -5.755 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.996 -3.238 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.026 -3.408 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.056 -5.975 -7.319 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.492 -4.962 -7.496 1.00 0.00 H new ATOM 741 N LEU A 55 4.253 -4.382 -0.299 1.00 0.00 N ATOM 742 CA LEU A 55 3.688 -3.123 0.156 1.00 0.00 C ATOM 743 C LEU A 55 4.745 -2.353 0.950 1.00 0.00 C ATOM 744 O LEU A 55 5.082 -2.730 2.071 1.00 0.00 O ATOM 745 CB LEU A 55 2.392 -3.367 0.932 1.00 0.00 C ATOM 746 CG LEU A 55 1.096 -3.236 0.130 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.279 -3.757 -1.297 1.00 0.00 C ATOM 748 CD2 LEU A 55 -0.065 -3.927 0.847 1.00 0.00 C ATOM 0 H LEU A 55 3.615 -5.177 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 55 3.410 -2.500 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.431 -4.369 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.353 -2.665 1.765 1.00 0.00 H new ATOM 0 HG LEU A 55 0.846 -2.178 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.343 -3.652 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.059 -3.182 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.566 -4.808 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.974 -3.819 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.163 -4.986 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.212 -3.470 1.825 1.00 0.00 H new ATOM 760 N SER A 56 5.238 -1.287 0.338 1.00 0.00 N ATOM 761 CA SER A 56 6.250 -0.459 0.973 1.00 0.00 C ATOM 762 C SER A 56 5.628 0.855 1.448 1.00 0.00 C ATOM 763 O SER A 56 4.556 1.242 0.985 1.00 0.00 O ATOM 764 CB SER A 56 7.414 -0.183 0.020 1.00 0.00 C ATOM 765 OG SER A 56 8.029 -1.385 -0.434 1.00 0.00 O ATOM 0 H SER A 56 4.956 -0.977 -0.592 1.00 0.00 H new ATOM 0 HA SER A 56 6.643 -0.999 1.834 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.054 0.386 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.156 0.436 0.524 1.00 0.00 H new ATOM 0 HG SER A 56 7.351 -2.087 -0.519 1.00 0.00 H new ATOM 771 N LEU A 57 6.328 1.507 2.366 1.00 0.00 N ATOM 772 CA LEU A 57 5.858 2.770 2.908 1.00 0.00 C ATOM 773 C LEU A 57 6.037 3.869 1.859 1.00 0.00 C ATOM 774 O LEU A 57 7.108 3.998 1.267 1.00 0.00 O ATOM 775 CB LEU A 57 6.549 3.072 4.239 1.00 0.00 C ATOM 776 CG LEU A 57 6.352 2.036 5.347 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.508 2.674 6.729 1.00 0.00 C ATOM 778 CD2 LEU A 57 5.009 1.319 5.196 1.00 0.00 C ATOM 0 H LEU A 57 7.217 1.184 2.748 1.00 0.00 H new ATOM 0 HA LEU A 57 4.793 2.715 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.618 3.179 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.190 4.035 4.602 1.00 0.00 H new ATOM 0 HG LEU A 57 7.133 1.281 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.363 1.916 7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.507 3.100 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.765 3.462 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.895 0.588 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.200 2.047 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.974 0.810 4.233 1.00 0.00 H new ATOM 790 N GLY A 58 4.973 4.633 1.660 1.00 0.00 N ATOM 791 CA GLY A 58 5.000 5.716 0.692 1.00 0.00 C ATOM 792 C GLY A 58 4.307 5.306 -0.609 1.00 0.00 C ATOM 793 O GLY A 58 3.849 6.159 -1.368 1.00 0.00 O ATOM 0 H GLY A 58 4.087 4.523 2.153 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.507 6.594 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.032 5.998 0.485 1.00 0.00 H new ATOM 797 N ASP A 59 4.253 4.001 -0.827 1.00 0.00 N ATOM 798 CA ASP A 59 3.624 3.467 -2.024 1.00 0.00 C ATOM 799 C ASP A 59 2.342 4.251 -2.313 1.00 0.00 C ATOM 800 O ASP A 59 1.803 4.914 -1.429 1.00 0.00 O ATOM 801 CB ASP A 59 3.248 1.996 -1.839 1.00 0.00 C ATOM 802 CG ASP A 59 4.394 1.004 -2.047 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.511 1.481 -2.343 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.128 -0.209 -1.906 1.00 0.00 O ATOM 0 H ASP A 59 4.634 3.297 -0.195 1.00 0.00 H new ATOM 0 HA ASP A 59 4.333 3.556 -2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.850 1.862 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.445 1.752 -2.535 1.00 0.00 H new ATOM 809 N ARG A 60 1.891 4.148 -3.555 1.00 0.00 N ATOM 810 CA ARG A 60 0.683 4.838 -3.972 1.00 0.00 C ATOM 811 C ARG A 60 -0.302 3.851 -4.602 1.00 0.00 C ATOM 812 O ARG A 60 0.003 3.227 -5.617 1.00 0.00 O ATOM 813 CB ARG A 60 1.001 5.945 -4.980 1.00 0.00 C ATOM 814 CG ARG A 60 -0.269 6.693 -5.391 1.00 0.00 C ATOM 815 CD ARG A 60 -0.061 7.443 -6.708 1.00 0.00 C ATOM 816 NE ARG A 60 -1.012 8.573 -6.802 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.182 9.323 -7.900 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.465 9.067 -9.003 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.067 10.328 -7.895 1.00 0.00 N ATOM 0 H ARG A 60 2.341 3.597 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 60 0.235 5.287 -3.086 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.715 6.644 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.475 5.514 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.093 5.987 -5.496 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.550 7.397 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.963 7.812 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.205 6.765 -7.549 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.573 8.795 -5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.210 8.302 -9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.594 9.637 -9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.612 10.523 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.196 10.898 -8.731 1.00 0.00 H new ATOM 833 N ILE A 61 -1.463 3.741 -3.974 1.00 0.00 N ATOM 834 CA ILE A 61 -2.494 2.840 -4.460 1.00 0.00 C ATOM 835 C ILE A 61 -3.171 3.461 -5.684 1.00 0.00 C ATOM 836 O ILE A 61 -3.282 4.682 -5.784 1.00 0.00 O ATOM 837 CB ILE A 61 -3.467 2.482 -3.335 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.713 2.090 -2.063 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.444 1.392 -3.781 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.153 0.671 -2.171 1.00 0.00 C ATOM 0 H ILE A 61 -1.713 4.261 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.054 1.896 -4.782 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.058 3.367 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.899 2.793 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.382 2.156 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.124 1.156 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.016 1.745 -4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.888 0.497 -4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.622 0.419 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.972 -0.033 -2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.466 0.614 -3.015 1.00 0.00 H new ATOM 852 N LEU A 62 -3.607 2.591 -6.584 1.00 0.00 N ATOM 853 CA LEU A 62 -4.270 3.039 -7.797 1.00 0.00 C ATOM 854 C LEU A 62 -5.647 2.378 -7.894 1.00 0.00 C ATOM 855 O LEU A 62 -6.633 3.035 -8.222 1.00 0.00 O ATOM 856 CB LEU A 62 -3.381 2.790 -9.017 1.00 0.00 C ATOM 857 CG LEU A 62 -1.953 3.332 -8.928 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.156 2.985 -10.187 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.955 4.836 -8.646 1.00 0.00 C ATOM 0 H LEU A 62 -3.514 1.579 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.434 4.116 -7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.330 1.715 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.863 3.232 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.454 2.848 -8.088 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.145 3.382 -10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.112 1.902 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.643 3.424 -11.058 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.928 5.197 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.477 5.356 -9.449 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.461 5.028 -7.700 1.00 0.00 H new ATOM 871 N GLU A 63 -5.669 1.086 -7.602 1.00 0.00 N ATOM 872 CA GLU A 63 -6.908 0.328 -7.652 1.00 0.00 C ATOM 873 C GLU A 63 -7.077 -0.499 -6.376 1.00 0.00 C ATOM 874 O GLU A 63 -6.108 -0.746 -5.660 1.00 0.00 O ATOM 875 CB GLU A 63 -6.956 -0.563 -8.894 1.00 0.00 C ATOM 876 CG GLU A 63 -7.309 0.251 -10.141 1.00 0.00 C ATOM 877 CD GLU A 63 -6.934 -0.507 -11.416 1.00 0.00 C ATOM 878 OE1 GLU A 63 -6.932 -1.756 -11.353 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.659 0.179 -12.424 1.00 0.00 O ATOM 0 H GLU A 63 -4.849 0.545 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.738 1.031 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.991 -1.049 -9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.693 -1.353 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.377 0.471 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.786 1.207 -10.115 1.00 0.00 H new ATOM 886 N VAL A 64 -8.314 -0.906 -6.132 1.00 0.00 N ATOM 887 CA VAL A 64 -8.622 -1.700 -4.955 1.00 0.00 C ATOM 888 C VAL A 64 -9.657 -2.766 -5.321 1.00 0.00 C ATOM 889 O VAL A 64 -10.803 -2.443 -5.628 1.00 0.00 O ATOM 890 CB VAL A 64 -9.079 -0.790 -3.813 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.087 -1.505 -2.912 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.883 -0.283 -3.004 1.00 0.00 C ATOM 0 H VAL A 64 -9.115 -0.701 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.731 -2.219 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.577 0.074 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.395 -0.836 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.959 -1.794 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.626 -2.396 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.235 0.361 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.344 -1.131 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.216 0.282 -3.655 1.00 0.00 H new ATOM 902 N ASN A 65 -9.215 -4.014 -5.276 1.00 0.00 N ATOM 903 CA ASN A 65 -10.089 -5.129 -5.600 1.00 0.00 C ATOM 904 C ASN A 65 -10.551 -5.005 -7.053 1.00 0.00 C ATOM 905 O ASN A 65 -11.543 -5.616 -7.447 1.00 0.00 O ATOM 906 CB ASN A 65 -11.332 -5.131 -4.707 1.00 0.00 C ATOM 907 CG ASN A 65 -11.402 -6.408 -3.867 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.542 -6.191 -2.563 1.00 0.00 O flip ATOM 909 ND2 ASN A 65 -11.332 -7.518 -4.370 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.264 -4.278 -5.020 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.530 -6.052 -5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.314 -4.261 -4.051 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.227 -5.047 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.225 -7.615 -5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.381 -8.349 -3.781 1.00 0.00 H new ATOM 916 N GLY A 66 -9.809 -4.211 -7.810 1.00 0.00 N ATOM 917 CA GLY A 66 -10.129 -3.999 -9.212 1.00 0.00 C ATOM 918 C GLY A 66 -11.161 -2.881 -9.375 1.00 0.00 C ATOM 919 O GLY A 66 -11.974 -2.912 -10.298 1.00 0.00 O ATOM 0 H GLY A 66 -8.987 -3.706 -7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.222 -3.745 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.516 -4.922 -9.644 1.00 0.00 H new ATOM 923 N SER A 67 -11.095 -1.921 -8.465 1.00 0.00 N ATOM 924 CA SER A 67 -12.013 -0.795 -8.496 1.00 0.00 C ATOM 925 C SER A 67 -11.229 0.518 -8.556 1.00 0.00 C ATOM 926 O SER A 67 -10.635 0.936 -7.563 1.00 0.00 O ATOM 927 CB SER A 67 -12.939 -0.805 -7.279 1.00 0.00 C ATOM 928 OG SER A 67 -14.292 -0.534 -7.635 1.00 0.00 O ATOM 0 H SER A 67 -10.420 -1.899 -7.701 1.00 0.00 H new ATOM 0 HA SER A 67 -12.631 -0.883 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.881 -1.776 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.598 -0.062 -6.558 1.00 0.00 H new ATOM 0 HG SER A 67 -14.852 -0.551 -6.831 1.00 0.00 H new ATOM 934 N SER A 68 -11.254 1.132 -9.730 1.00 0.00 N ATOM 935 CA SER A 68 -10.554 2.389 -9.932 1.00 0.00 C ATOM 936 C SER A 68 -10.761 3.304 -8.723 1.00 0.00 C ATOM 937 O SER A 68 -11.895 3.550 -8.314 1.00 0.00 O ATOM 938 CB SER A 68 -11.026 3.083 -11.210 1.00 0.00 C ATOM 939 OG SER A 68 -12.375 3.530 -11.108 1.00 0.00 O ATOM 0 H SER A 68 -11.748 0.782 -10.551 1.00 0.00 H new ATOM 0 HA SER A 68 -9.491 2.175 -10.039 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.377 3.933 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.935 2.395 -12.051 1.00 0.00 H new ATOM 0 HG SER A 68 -12.646 3.541 -10.166 1.00 0.00 H new ATOM 945 N LEU A 69 -9.649 3.783 -8.186 1.00 0.00 N ATOM 946 CA LEU A 69 -9.695 4.665 -7.032 1.00 0.00 C ATOM 947 C LEU A 69 -9.280 6.075 -7.457 1.00 0.00 C ATOM 948 O LEU A 69 -8.597 6.776 -6.712 1.00 0.00 O ATOM 949 CB LEU A 69 -8.854 4.095 -5.888 1.00 0.00 C ATOM 950 CG LEU A 69 -9.619 3.308 -4.822 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.708 2.950 -3.646 1.00 0.00 C ATOM 952 CD2 LEU A 69 -10.867 4.068 -4.369 1.00 0.00 C ATOM 0 H LEU A 69 -8.711 3.577 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.712 4.734 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.090 3.444 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.334 4.919 -5.400 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.956 2.371 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.276 2.391 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.877 2.340 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.320 3.863 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.392 3.486 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.575 5.031 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.525 4.229 -5.223 1.00 0.00 H new ATOM 964 N LEU A 70 -9.709 6.448 -8.654 1.00 0.00 N ATOM 965 CA LEU A 70 -9.390 7.762 -9.187 1.00 0.00 C ATOM 966 C LEU A 70 -10.593 8.688 -9.002 1.00 0.00 C ATOM 967 O LEU A 70 -11.555 8.623 -9.766 1.00 0.00 O ATOM 968 CB LEU A 70 -8.916 7.651 -10.637 1.00 0.00 C ATOM 969 CG LEU A 70 -7.492 7.130 -10.840 1.00 0.00 C ATOM 970 CD1 LEU A 70 -7.274 6.676 -12.285 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.460 8.172 -10.405 1.00 0.00 C ATOM 0 H LEU A 70 -10.275 5.864 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.559 8.205 -8.638 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.601 6.995 -11.173 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.991 8.635 -11.099 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.355 6.255 -10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.254 6.310 -12.402 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.975 5.877 -12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.437 7.517 -12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.456 7.776 -10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.588 9.079 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.600 8.404 -9.349 1.00 0.00 H new ATOM 983 N GLY A 71 -10.501 9.530 -7.983 1.00 0.00 N ATOM 984 CA GLY A 71 -11.570 10.469 -7.688 1.00 0.00 C ATOM 985 C GLY A 71 -12.239 10.136 -6.353 1.00 0.00 C ATOM 986 O GLY A 71 -12.602 11.035 -5.596 1.00 0.00 O ATOM 0 H GLY A 71 -9.702 9.581 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.170 11.482 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.311 10.444 -8.487 1.00 0.00 H new ATOM 990 N LEU A 72 -12.381 8.842 -6.104 1.00 0.00 N ATOM 991 CA LEU A 72 -12.999 8.380 -4.874 1.00 0.00 C ATOM 992 C LEU A 72 -12.295 9.028 -3.679 1.00 0.00 C ATOM 993 O LEU A 72 -11.073 8.957 -3.562 1.00 0.00 O ATOM 994 CB LEU A 72 -13.014 6.851 -4.823 1.00 0.00 C ATOM 995 CG LEU A 72 -14.239 6.172 -5.439 1.00 0.00 C ATOM 996 CD1 LEU A 72 -14.194 4.658 -5.222 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.534 6.789 -4.907 1.00 0.00 C ATOM 0 H LEU A 72 -12.078 8.099 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.044 8.688 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.124 6.481 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.937 6.541 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.219 6.344 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.076 4.200 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.297 4.250 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.177 4.444 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.389 6.288 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.576 6.669 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.561 7.850 -5.156 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.097 9.643 -2.823 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.566 10.303 -1.642 1.00 0.00 C ATOM 1011 C GLY A 73 -11.768 9.323 -0.779 1.00 0.00 C ATOM 1012 O GLY A 73 -11.398 8.244 -1.239 1.00 0.00 O ATOM 0 H GLY A 73 -14.111 9.698 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.927 11.133 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.384 10.725 -1.058 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.525 9.735 0.456 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.777 8.908 1.387 1.00 0.00 C ATOM 1018 C TYR A 74 -11.710 7.980 2.168 1.00 0.00 C ATOM 1019 O TYR A 74 -11.368 6.829 2.433 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.104 9.874 2.364 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.582 9.208 3.639 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.443 8.953 4.687 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.250 8.861 3.740 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -9.952 8.326 5.886 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.759 8.234 4.940 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.634 7.998 5.953 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.170 7.405 7.086 1.00 0.00 O ATOM 0 H TYR A 74 -11.833 10.631 0.834 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.059 8.285 0.854 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.274 10.366 1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.817 10.652 2.638 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.485 9.224 4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.576 9.060 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.615 8.121 6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.719 7.958 5.033 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.211 7.226 6.992 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.871 8.517 2.515 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.856 7.751 3.260 1.00 0.00 C ATOM 1039 C LEU A 75 -14.500 6.718 2.333 1.00 0.00 C ATOM 1040 O LEU A 75 -15.024 5.705 2.796 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.864 8.686 3.932 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.563 9.063 5.384 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.466 10.206 5.852 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.664 7.842 6.300 1.00 0.00 C ATOM 0 H LEU A 75 -13.151 9.473 2.294 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.377 7.200 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.927 9.602 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.847 8.216 3.896 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.535 9.422 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.232 10.454 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.302 11.081 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.509 9.898 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.445 8.138 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.672 7.430 6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.947 7.086 5.980 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.439 7.008 1.042 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.009 6.117 0.047 1.00 0.00 C ATOM 1058 C ARG A 76 -14.004 5.025 -0.326 1.00 0.00 C ATOM 1059 O ARG A 76 -14.382 3.872 -0.530 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.410 6.884 -1.215 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.902 7.220 -1.202 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.728 6.074 -1.789 1.00 0.00 C ATOM 1063 NE ARG A 76 -19.164 6.432 -1.788 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.918 6.508 -0.683 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.378 6.251 0.516 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -21.213 6.840 -0.777 1.00 0.00 N ATOM 0 H ARG A 76 -14.003 7.848 0.662 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.900 5.663 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.827 7.802 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -15.176 6.288 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.225 7.419 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.078 8.130 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.399 5.861 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.571 5.166 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.607 6.633 -2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.393 5.997 0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.952 6.309 1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.625 7.035 -1.690 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.787 6.898 0.064 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.744 5.427 -0.403 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.682 4.497 -0.748 1.00 0.00 C ATOM 1082 C ALA A 77 -11.428 3.559 0.434 1.00 0.00 C ATOM 1083 O ALA A 77 -11.269 2.353 0.251 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.430 5.278 -1.151 1.00 0.00 C ATOM 0 H ALA A 77 -12.435 6.384 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.972 3.883 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.634 4.580 -1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.655 5.907 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.108 5.904 -0.319 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.398 4.148 1.620 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.166 3.380 2.832 1.00 0.00 C ATOM 1092 C VAL A 78 -12.262 2.323 2.978 1.00 0.00 C ATOM 1093 O VAL A 78 -11.972 1.154 3.228 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.076 4.319 4.037 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.433 4.960 4.335 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.535 3.584 5.265 1.00 0.00 C ATOM 0 H VAL A 78 -11.530 5.148 1.768 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.213 2.854 2.775 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.376 5.117 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.341 5.623 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.762 5.534 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.163 4.181 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.481 4.274 6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.199 2.757 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.539 3.197 5.048 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.498 2.771 2.816 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.638 1.878 2.926 1.00 0.00 C ATOM 1108 C ASP A 79 -14.435 0.680 1.996 1.00 0.00 C ATOM 1109 O ASP A 79 -14.574 -0.468 2.416 1.00 0.00 O ATOM 1110 CB ASP A 79 -15.932 2.582 2.513 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.149 2.264 3.384 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.135 2.697 4.557 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.064 1.595 2.858 1.00 0.00 O ATOM 0 H ASP A 79 -13.735 3.741 2.609 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.716 1.560 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.763 3.659 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.162 2.312 1.482 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.108 0.988 0.750 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.884 -0.049 -0.243 1.00 0.00 C ATOM 1120 C LEU A 80 -13.045 -1.169 0.376 1.00 0.00 C ATOM 1121 O LEU A 80 -13.491 -2.312 0.456 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.272 0.548 -1.512 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.258 1.166 -2.506 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.533 1.679 -3.751 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.373 0.179 -2.857 1.00 0.00 C ATOM 0 H LEU A 80 -13.993 1.941 0.405 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.831 -0.492 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.554 1.314 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.713 -0.235 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.728 2.027 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.257 2.113 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.807 2.439 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.018 0.852 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.060 0.643 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.940 -0.715 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.915 -0.095 -1.952 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.844 -0.801 0.797 1.00 0.00 N ATOM 1138 CA ILE A 81 -10.938 -1.760 1.407 1.00 0.00 C ATOM 1139 C ILE A 81 -11.606 -2.373 2.639 1.00 0.00 C ATOM 1140 O ILE A 81 -11.598 -3.591 2.813 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.585 -1.109 1.700 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.793 -0.886 0.410 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.795 -1.924 2.725 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.819 0.588 -0.001 1.00 0.00 C ATOM 0 H ILE A 81 -11.477 0.148 0.728 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.728 -2.578 0.717 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.766 -0.128 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.762 -1.210 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.212 -1.498 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.837 -1.439 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.361 -1.987 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.623 -2.928 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.249 0.719 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.850 0.902 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.377 1.194 0.790 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.168 -1.502 3.464 1.00 0.00 N ATOM 1157 CA ARG A 82 -12.838 -1.942 4.675 1.00 0.00 C ATOM 1158 C ARG A 82 -13.808 -3.083 4.360 1.00 0.00 C ATOM 1159 O ARG A 82 -13.734 -4.151 4.966 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.609 -0.792 5.327 1.00 0.00 C ATOM 1161 CG ARG A 82 -12.652 0.209 5.977 1.00 0.00 C ATOM 1162 CD ARG A 82 -12.976 0.394 7.461 1.00 0.00 C ATOM 1163 NE ARG A 82 -12.118 -0.491 8.280 1.00 0.00 N ATOM 1164 CZ ARG A 82 -12.095 -0.484 9.620 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -12.881 0.361 10.300 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -11.284 -1.323 10.280 1.00 0.00 N ATOM 0 H ARG A 82 -12.173 -0.493 3.317 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.073 -2.291 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.217 -0.286 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.293 -1.187 6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -11.625 -0.140 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.720 1.168 5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.820 1.434 7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.026 0.167 7.644 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.506 -1.147 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.498 1.000 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.863 0.366 11.320 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.685 -1.966 9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.266 -1.318 11.300 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.696 -2.817 3.413 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.679 -3.808 3.010 1.00 0.00 C ATOM 1182 C HIS A 83 -15.131 -4.631 1.842 1.00 0.00 C ATOM 1183 O HIS A 83 -15.879 -5.019 0.946 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.020 -3.144 2.689 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.524 -2.222 3.774 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.429 -0.844 3.691 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.129 -2.495 4.965 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -17.955 -0.322 4.789 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.388 -1.347 5.578 1.00 0.00 N ATOM 0 H HIS A 83 -14.755 -1.930 2.913 1.00 0.00 H new ATOM 0 HA HIS A 83 -15.867 -4.494 3.836 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -16.921 -2.578 1.763 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.765 -3.920 2.511 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.023 -0.319 2.916 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.359 -3.479 5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.028 0.731 5.019 1.00 0.00 H new ATOM 1197 N GLY A 84 -13.829 -4.872 1.891 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.171 -5.641 0.848 1.00 0.00 C ATOM 1199 C GLY A 84 -13.756 -7.053 0.757 1.00 0.00 C ATOM 1200 O GLY A 84 -14.973 -7.228 0.791 1.00 0.00 O ATOM 0 H GLY A 84 -13.212 -4.549 2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.285 -5.134 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.102 -5.699 1.053 1.00 0.00 H new ATOM 1204 N GLY A 85 -12.860 -8.023 0.643 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.272 -9.413 0.547 1.00 0.00 C ATOM 1206 C GLY A 85 -12.113 -10.352 0.886 1.00 0.00 C ATOM 1207 O GLY A 85 -10.974 -9.911 1.035 1.00 0.00 O ATOM 0 H GLY A 85 -11.851 -7.874 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.105 -9.597 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.631 -9.621 -0.461 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.443 -11.631 0.999 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.444 -12.636 1.318 1.00 0.00 C ATOM 1213 C LYS A 86 -10.154 -12.328 0.555 1.00 0.00 C ATOM 1214 O LYS A 86 -9.058 -12.501 1.085 1.00 0.00 O ATOM 1215 CB LYS A 86 -11.993 -14.040 1.056 1.00 0.00 C ATOM 1216 CG LYS A 86 -11.409 -15.051 2.045 1.00 0.00 C ATOM 1217 CD LYS A 86 -11.963 -16.454 1.786 1.00 0.00 C ATOM 1218 CE LYS A 86 -11.609 -17.403 2.932 1.00 0.00 C ATOM 1219 NZ LYS A 86 -10.572 -18.369 2.504 1.00 0.00 N ATOM 0 H LYS A 86 -13.388 -11.994 0.875 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.201 -12.607 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.080 -14.031 1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.754 -14.343 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.322 -15.063 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.644 -14.746 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.046 -16.406 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.559 -16.841 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.251 -16.831 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.501 -17.938 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.343 -19.006 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.927 -18.927 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.716 -17.854 2.216 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.328 -11.878 -0.679 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.192 -11.544 -1.521 1.00 0.00 C ATOM 1235 C LYS A 87 -9.184 -10.037 -1.786 1.00 0.00 C ATOM 1236 O LYS A 87 -10.107 -9.506 -2.402 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.201 -12.392 -2.794 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.014 -13.357 -2.819 1.00 0.00 C ATOM 1239 CD LYS A 87 -7.910 -14.063 -4.173 1.00 0.00 C ATOM 1240 CE LYS A 87 -8.557 -15.448 -4.121 1.00 0.00 C ATOM 1241 NZ LYS A 87 -8.170 -16.245 -5.306 1.00 0.00 N ATOM 0 H LYS A 87 -11.239 -11.737 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.258 -11.783 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.133 -12.954 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.164 -11.742 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.092 -12.811 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.125 -14.097 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.396 -13.460 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.862 -14.158 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.251 -15.965 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.642 -15.348 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.618 -17.182 -5.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.484 -15.758 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.136 -16.356 -5.327 1.00 0.00 H new ATOM 1255 N MET A 88 -8.131 -9.390 -1.307 1.00 0.00 N ATOM 1256 CA MET A 88 -7.991 -7.955 -1.484 1.00 0.00 C ATOM 1257 C MET A 88 -6.864 -7.631 -2.467 1.00 0.00 C ATOM 1258 O MET A 88 -5.712 -7.993 -2.237 1.00 0.00 O ATOM 1259 CB MET A 88 -7.694 -7.300 -0.133 1.00 0.00 C ATOM 1260 CG MET A 88 -8.940 -7.283 0.754 1.00 0.00 C ATOM 1261 SD MET A 88 -9.350 -5.604 1.201 1.00 0.00 S ATOM 1262 CE MET A 88 -9.694 -4.929 -0.415 1.00 0.00 C ATOM 0 H MET A 88 -7.367 -9.833 -0.797 1.00 0.00 H new ATOM 0 HA MET A 88 -8.925 -7.565 -1.889 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.893 -7.842 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.340 -6.281 -0.289 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.777 -7.743 0.228 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.765 -7.875 1.653 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.256 -3.934 -0.495 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.264 -5.577 -1.179 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.772 -4.863 -0.560 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.237 -6.952 -3.542 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.273 -6.576 -4.561 1.00 0.00 C ATOM 1274 C ARG A 89 -6.031 -5.066 -4.532 1.00 0.00 C ATOM 1275 O ARG A 89 -6.949 -4.292 -4.265 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.757 -6.981 -5.955 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.620 -6.901 -6.976 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.044 -6.098 -8.207 1.00 0.00 C ATOM 1279 NE ARG A 89 -6.032 -6.965 -9.406 1.00 0.00 N ATOM 1280 CZ ARG A 89 -7.005 -7.832 -9.716 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -8.074 -7.952 -8.917 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -6.910 -8.578 -10.824 1.00 0.00 N ATOM 0 H ARG A 89 -8.194 -6.653 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.342 -7.101 -4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.153 -7.996 -5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.574 -6.329 -6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.747 -6.437 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.325 -7.906 -7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.042 -5.686 -8.056 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.369 -5.255 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.233 -6.898 -10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.147 -7.383 -8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -8.815 -8.612 -9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.096 -8.486 -11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.651 -9.238 -11.060 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.791 -4.691 -4.810 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.418 -3.287 -4.819 1.00 0.00 C ATOM 1298 C PHE A 90 -3.369 -3.005 -5.897 1.00 0.00 C ATOM 1299 O PHE A 90 -2.365 -3.710 -5.990 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.818 -2.975 -3.446 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.698 -3.404 -2.271 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.890 -2.786 -2.052 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.289 -4.403 -1.444 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.706 -3.184 -0.961 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.105 -4.801 -0.353 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.297 -4.184 -0.134 1.00 0.00 C ATOM 0 H PHE A 90 -4.032 -5.335 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.292 -2.671 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.851 -3.471 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.634 -1.903 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.215 -1.992 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.343 -4.894 -1.617 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.652 -2.693 -0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.779 -5.594 0.304 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.918 -4.488 0.696 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.638 -1.973 -6.683 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.730 -1.590 -7.751 1.00 0.00 C ATOM 1318 C LEU A 91 -1.837 -0.445 -7.268 1.00 0.00 C ATOM 1319 O LEU A 91 -2.197 0.725 -7.396 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.509 -1.266 -9.027 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.676 -1.113 -10.301 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.939 -2.412 -10.633 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.542 -0.631 -11.467 1.00 0.00 C ATOM 0 H LEU A 91 -4.471 -1.390 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.073 -2.421 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.244 -2.054 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.063 -0.341 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.919 -0.349 -10.125 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.354 -2.276 -11.543 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.274 -2.674 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.663 -3.213 -10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.926 -0.530 -12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.336 -1.354 -11.653 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.982 0.335 -11.219 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.689 -0.821 -6.723 1.00 0.00 N ATOM 1336 CA VAL A 92 0.258 0.160 -6.221 1.00 0.00 C ATOM 1337 C VAL A 92 1.426 0.284 -7.201 1.00 0.00 C ATOM 1338 O VAL A 92 1.791 -0.687 -7.862 1.00 0.00 O ATOM 1339 CB VAL A 92 0.702 -0.218 -4.807 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.473 -1.707 -4.540 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.165 0.162 -4.571 1.00 0.00 C ATOM 0 H VAL A 92 -0.393 -1.792 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.211 1.141 -6.149 1.00 0.00 H new ATOM 0 HB VAL A 92 0.091 0.347 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.797 -1.949 -3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.587 -1.937 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.046 -2.297 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.455 -0.118 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.797 -0.363 -5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.287 1.238 -4.699 1.00 0.00 H new ATOM 1351 N ALA A 93 1.978 1.486 -7.265 1.00 0.00 N ATOM 1352 CA ALA A 93 3.097 1.750 -8.154 1.00 0.00 C ATOM 1353 C ALA A 93 4.366 1.951 -7.323 1.00 0.00 C ATOM 1354 O ALA A 93 4.319 2.534 -6.241 1.00 0.00 O ATOM 1355 CB ALA A 93 2.777 2.961 -9.032 1.00 0.00 C ATOM 0 H ALA A 93 1.671 2.289 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 93 3.268 0.903 -8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.616 3.159 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.884 2.756 -9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.602 3.832 -8.401 1.00 0.00 H new ATOM 1361 N LYS A 94 5.472 1.456 -7.861 1.00 0.00 N ATOM 1362 CA LYS A 94 6.751 1.574 -7.183 1.00 0.00 C ATOM 1363 C LYS A 94 7.217 3.031 -7.231 1.00 0.00 C ATOM 1364 O LYS A 94 7.724 3.491 -8.254 1.00 0.00 O ATOM 1365 CB LYS A 94 7.762 0.586 -7.769 1.00 0.00 C ATOM 1366 CG LYS A 94 8.174 -0.458 -6.730 1.00 0.00 C ATOM 1367 CD LYS A 94 9.141 0.139 -5.706 1.00 0.00 C ATOM 1368 CE LYS A 94 10.542 0.293 -6.301 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.515 -0.539 -5.558 1.00 0.00 N ATOM 0 H LYS A 94 5.508 0.973 -8.758 1.00 0.00 H new ATOM 0 HA LYS A 94 6.650 1.305 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.329 0.089 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.643 1.125 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.289 -0.838 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.644 -1.306 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.773 1.111 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.184 -0.501 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.532 0.001 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.846 1.339 -6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.461 -0.423 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.537 -0.241 -4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.232 -1.538 -5.615 1.00 0.00 H new ATOM 1383 N SER A 95 7.028 3.717 -6.113 1.00 0.00 N ATOM 1384 CA SER A 95 7.422 5.112 -6.016 1.00 0.00 C ATOM 1385 C SER A 95 8.855 5.215 -5.490 1.00 0.00 C ATOM 1386 O SER A 95 9.463 4.207 -5.131 1.00 0.00 O ATOM 1387 CB SER A 95 6.467 5.892 -5.110 1.00 0.00 C ATOM 1388 OG SER A 95 5.702 6.848 -5.838 1.00 0.00 O ATOM 0 H SER A 95 6.607 3.333 -5.267 1.00 0.00 H new ATOM 0 HA SER A 95 7.375 5.551 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.795 5.196 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.038 6.400 -4.333 1.00 0.00 H new ATOM 0 HG SER A 95 4.782 6.856 -5.501 1.00 0.00 H new ATOM 1394 N ASP A 96 9.354 6.442 -5.462 1.00 0.00 N ATOM 1395 CA ASP A 96 10.705 6.690 -4.986 1.00 0.00 C ATOM 1396 C ASP A 96 10.692 6.795 -3.460 1.00 0.00 C ATOM 1397 O ASP A 96 9.638 6.685 -2.835 1.00 0.00 O ATOM 1398 CB ASP A 96 11.253 8.004 -5.546 1.00 0.00 C ATOM 1399 CG ASP A 96 11.761 7.931 -6.987 1.00 0.00 C ATOM 1400 OD1 ASP A 96 12.423 6.919 -7.305 1.00 0.00 O ATOM 1401 OD2 ASP A 96 11.477 8.888 -7.738 1.00 0.00 O ATOM 0 H ASP A 96 8.847 7.275 -5.761 1.00 0.00 H new ATOM 0 HA ASP A 96 11.336 5.866 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.470 8.760 -5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.068 8.342 -4.906 1.00 0.00 H new ATOM 1406 N VAL A 97 11.875 7.007 -2.903 1.00 0.00 N ATOM 1407 CA VAL A 97 12.013 7.128 -1.461 1.00 0.00 C ATOM 1408 C VAL A 97 11.427 8.466 -1.008 1.00 0.00 C ATOM 1409 O VAL A 97 10.739 8.533 0.010 1.00 0.00 O ATOM 1410 CB VAL A 97 13.479 6.951 -1.060 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.717 7.432 0.373 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.923 5.496 -1.230 1.00 0.00 C ATOM 0 H VAL A 97 12.747 7.098 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 97 11.454 6.341 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 97 14.085 7.566 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.767 7.295 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.459 8.488 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.095 6.856 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.969 5.398 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.309 4.852 -0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.808 5.200 -2.273 1.00 0.00 H new ATOM 1422 N GLU A 98 11.720 9.498 -1.785 1.00 0.00 N ATOM 1423 CA GLU A 98 11.230 10.831 -1.476 1.00 0.00 C ATOM 1424 C GLU A 98 9.731 10.787 -1.170 1.00 0.00 C ATOM 1425 O GLU A 98 9.299 11.227 -0.106 1.00 0.00 O ATOM 1426 CB GLU A 98 11.528 11.803 -2.619 1.00 0.00 C ATOM 1427 CG GLU A 98 12.941 12.378 -2.494 1.00 0.00 C ATOM 1428 CD GLU A 98 13.443 12.895 -3.844 1.00 0.00 C ATOM 1429 OE1 GLU A 98 12.647 13.581 -4.521 1.00 0.00 O ATOM 1430 OE2 GLU A 98 14.612 12.592 -4.168 1.00 0.00 O ATOM 0 H GLU A 98 12.291 9.438 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 98 11.752 11.193 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.424 11.289 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.799 12.614 -2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.945 13.189 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.618 11.610 -2.120 1.00 0.00 H new ATOM 1437 N THR A 99 8.981 10.253 -2.122 1.00 0.00 N ATOM 1438 CA THR A 99 7.540 10.147 -1.968 1.00 0.00 C ATOM 1439 C THR A 99 7.189 9.653 -0.563 1.00 0.00 C ATOM 1440 O THR A 99 6.227 10.124 0.043 1.00 0.00 O ATOM 1441 CB THR A 99 7.011 9.240 -3.080 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.957 10.088 -4.224 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.555 8.825 -2.855 1.00 0.00 C ATOM 0 H THR A 99 9.344 9.889 -3.003 1.00 0.00 H new ATOM 0 HA THR A 99 7.059 11.120 -2.066 1.00 0.00 H new ATOM 0 HB THR A 99 7.636 8.349 -3.149 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.626 9.579 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.229 8.182 -3.673 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.473 8.283 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.925 9.714 -2.819 1.00 0.00 H new ATOM 1451 N ALA A 100 7.988 8.710 -0.085 1.00 0.00 N ATOM 1452 CA ALA A 100 7.774 8.148 1.237 1.00 0.00 C ATOM 1453 C ALA A 100 8.174 9.177 2.296 1.00 0.00 C ATOM 1454 O ALA A 100 7.479 9.345 3.297 1.00 0.00 O ATOM 1455 CB ALA A 100 8.559 6.841 1.369 1.00 0.00 C ATOM 0 H ALA A 100 8.784 8.321 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 100 6.720 7.913 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.399 6.419 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.217 6.133 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.621 7.039 1.226 1.00 0.00 H new ATOM 1461 N LYS A 101 9.292 9.840 2.039 1.00 0.00 N ATOM 1462 CA LYS A 101 9.793 10.848 2.957 1.00 0.00 C ATOM 1463 C LYS A 101 8.668 11.829 3.293 1.00 0.00 C ATOM 1464 O LYS A 101 8.389 12.083 4.464 1.00 0.00 O ATOM 1465 CB LYS A 101 11.044 11.519 2.386 1.00 0.00 C ATOM 1466 CG LYS A 101 12.283 10.649 2.609 1.00 0.00 C ATOM 1467 CD LYS A 101 13.438 11.101 1.713 1.00 0.00 C ATOM 1468 CE LYS A 101 14.785 10.671 2.298 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.321 11.722 3.192 1.00 0.00 N ATOM 0 H LYS A 101 9.865 9.698 1.207 1.00 0.00 H new ATOM 0 HA LYS A 101 10.106 10.388 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.909 11.700 1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.188 12.491 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.586 10.703 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.042 9.607 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.318 10.676 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.415 12.185 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.667 9.740 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.492 10.475 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.235 11.414 3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.452 12.602 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.653 11.889 3.971 1.00 0.00 H new ATOM 1483 N LYS A 102 8.052 12.355 2.244 1.00 0.00 N ATOM 1484 CA LYS A 102 6.964 13.303 2.413 1.00 0.00 C ATOM 1485 C LYS A 102 5.832 12.639 3.200 1.00 0.00 C ATOM 1486 O LYS A 102 5.188 13.280 4.029 1.00 0.00 O ATOM 1487 CB LYS A 102 6.525 13.862 1.058 1.00 0.00 C ATOM 1488 CG LYS A 102 7.669 14.620 0.381 1.00 0.00 C ATOM 1489 CD LYS A 102 7.752 14.273 -1.106 1.00 0.00 C ATOM 1490 CE LYS A 102 9.143 14.582 -1.665 1.00 0.00 C ATOM 1491 NZ LYS A 102 9.148 14.460 -3.140 1.00 0.00 N ATOM 0 H LYS A 102 8.286 12.142 1.274 1.00 0.00 H new ATOM 0 HA LYS A 102 7.295 14.163 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.193 13.047 0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.673 14.528 1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.519 15.693 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.612 14.374 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.525 13.217 -1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.001 14.838 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.442 15.590 -1.377 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.874 13.898 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.099 14.673 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.884 13.491 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.465 15.130 -3.546 1.00 0.00 H new ATOM 1505 N ILE A 103 5.624 11.362 2.912 1.00 0.00 N ATOM 1506 CA ILE A 103 4.582 10.604 3.582 1.00 0.00 C ATOM 1507 C ILE A 103 4.893 10.530 5.078 1.00 0.00 C ATOM 1508 O ILE A 103 3.982 10.482 5.904 1.00 0.00 O ATOM 1509 CB ILE A 103 4.406 9.235 2.922 1.00 0.00 C ATOM 1510 CG1 ILE A 103 3.910 9.380 1.482 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.489 8.338 3.756 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.382 9.357 1.423 1.00 0.00 C ATOM 0 H ILE A 103 6.160 10.834 2.223 1.00 0.00 H new ATOM 0 HA ILE A 103 3.620 11.107 3.480 1.00 0.00 H new ATOM 0 HB ILE A 103 5.381 8.749 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.280 10.314 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.313 8.572 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.381 7.371 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.922 8.195 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.510 8.808 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.056 9.462 0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.017 8.412 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.983 10.181 2.014 1.00 0.00 H new ATOM 1524 N HIS A 104 6.182 10.523 5.383 1.00 0.00 N ATOM 1525 CA HIS A 104 6.625 10.455 6.765 1.00 0.00 C ATOM 1526 C HIS A 104 7.964 11.180 6.911 1.00 0.00 C ATOM 1527 O HIS A 104 8.985 10.716 6.405 1.00 0.00 O ATOM 1528 CB HIS A 104 6.681 9.004 7.247 1.00 0.00 C ATOM 1529 CG HIS A 104 8.002 8.321 6.987 1.00 0.00 C ATOM 1530 ND1 HIS A 104 8.967 8.156 7.966 1.00 0.00 N ATOM 1531 CD2 HIS A 104 8.508 7.762 5.850 1.00 0.00 C ATOM 1532 CE1 HIS A 104 10.002 7.526 7.431 1.00 0.00 C ATOM 1533 NE2 HIS A 104 9.716 7.283 6.120 1.00 0.00 N ATOM 0 H HIS A 104 6.935 10.563 4.696 1.00 0.00 H new ATOM 0 HA HIS A 104 5.905 10.962 7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 104 6.475 8.979 8.317 1.00 0.00 H new ATOM 0 HB3 HIS A 104 5.889 8.438 6.757 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.010 7.717 4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.913 7.253 7.943 1.00 0.00 H new ATOM 0 HE2 HIS A 104 10.330 6.811 5.456 1.00 0.00 H new