USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 46 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.8 X(o=-1.8,f=-2.3!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.0193 K(o=-2,f=-3.5) USER MOD Set 2.2: A 13 MET CE :methyl 178:sc= -2 (180deg=-1.77) USER MOD Single : A 9 TYR OH : rot -9:sc= 0.059 USER MOD Single : A 12 HIS : no HD1:sc= -0.773 X(o=-0.77,f=-0.78) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.148 K(o=-0.15,f=-2.1!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.79! C(o=-1.8!,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 118:sc= 0.964 USER MOD Single : A 36 SER OG : rot 92:sc= 0.606 USER MOD Single : A 49 SER OG : rot 120:sc= -0.843 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -37:sc= -0.0819 USER MOD Single : A 63 THR OG1 : rot -141:sc= 0.319 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -124:sc= -1.77! (180deg=-2.15!) USER MOD Single : A 69 CYS SG : rot 98:sc= 0.0706 USER MOD Single : A 74 TYR OH : rot -33:sc= 1.74 USER MOD Single : A 75 THR OG1 : rot 119:sc= 1.11 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 36:sc= 1.01 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.631 F(o=-1.7,f=-0.63) USER MOD Single : A 93 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 THR OG1 : rot -98:sc= 0.938 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.12! C(o=-3.1!,f=-6!) USER MOD Single : A 111 TYR OH : rot 46:sc= 0.504 USER MOD Single : A 112 TYR OH : rot 165:sc= -0.565 USER MOD Single : B 9 SER OG : rot 29:sc= 0.00129 USER MOD Single : B 12 ASN :FLIP amide:sc= -1.61! C(o=-3.7!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.307 -6.384 -11.823 1.00 0.00 N ATOM 60 CA GLY A 7 4.307 -5.332 -11.819 1.00 0.00 C ATOM 61 C GLY A 7 4.527 -4.325 -10.708 1.00 0.00 C ATOM 62 O GLY A 7 5.436 -3.497 -10.782 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.322 -4.817 -12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.318 -5.776 -11.711 1.00 0.00 H new ATOM 66 N TRP A 8 3.695 -4.394 -9.676 1.00 0.00 N ATOM 67 CA TRP A 8 3.802 -3.480 -8.545 1.00 0.00 C ATOM 68 C TRP A 8 4.365 -4.193 -7.320 1.00 0.00 C ATOM 69 O TRP A 8 4.180 -3.745 -6.189 1.00 0.00 O ATOM 70 CB TRP A 8 2.434 -2.880 -8.216 1.00 0.00 C ATOM 71 CG TRP A 8 1.289 -3.769 -8.596 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.271 -3.470 -9.456 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.044 -5.098 -8.127 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.593 -4.535 -9.549 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.140 -5.547 -8.744 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.711 -5.956 -7.246 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.670 -6.813 -8.508 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.183 -7.212 -7.012 1.00 0.00 C ATOM 79 CH2 TRP A 8 0.003 -7.631 -7.641 1.00 0.00 C ATOM 0 H TRP A 8 2.938 -5.074 -9.599 1.00 0.00 H new ATOM 0 HA TRP A 8 4.486 -2.678 -8.822 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.384 -2.672 -7.147 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.330 -1.925 -8.732 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.161 -2.535 -9.985 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.435 -4.567 -10.124 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.622 -5.643 -6.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.579 -7.138 -8.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.689 -7.882 -6.333 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.383 -8.619 -7.438 1.00 0.00 H new ATOM 90 N TYR A 9 5.055 -5.305 -7.553 1.00 0.00 N ATOM 91 CA TYR A 9 5.644 -6.081 -6.468 1.00 0.00 C ATOM 92 C TYR A 9 7.122 -5.746 -6.299 1.00 0.00 C ATOM 93 O TYR A 9 7.947 -6.078 -7.151 1.00 0.00 O ATOM 94 CB TYR A 9 5.475 -7.578 -6.734 1.00 0.00 C ATOM 95 CG TYR A 9 5.465 -8.418 -5.477 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.311 -8.545 -4.713 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.608 -9.085 -5.054 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.297 -9.311 -3.563 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.603 -9.855 -3.907 1.00 0.00 C ATOM 100 CZ TYR A 9 5.445 -9.965 -3.165 1.00 0.00 C ATOM 101 OH TYR A 9 5.436 -10.730 -2.021 1.00 0.00 O ATOM 0 H TYR A 9 5.220 -5.689 -8.484 1.00 0.00 H new ATOM 0 HA TYR A 9 5.124 -5.822 -5.546 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.543 -7.739 -7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.284 -7.917 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.410 -8.037 -5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.516 -9.000 -5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.393 -9.397 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.500 -10.368 -3.593 1.00 0.00 H new ATOM 0 HH TYR A 9 4.593 -10.590 -1.540 1.00 0.00 H new ATOM 111 N HIS A 10 7.450 -5.087 -5.192 1.00 0.00 N ATOM 112 CA HIS A 10 8.830 -4.708 -4.910 1.00 0.00 C ATOM 113 C HIS A 10 9.572 -5.840 -4.204 1.00 0.00 C ATOM 114 O HIS A 10 10.547 -6.377 -4.728 1.00 0.00 O ATOM 115 CB HIS A 10 8.867 -3.445 -4.048 1.00 0.00 C ATOM 116 CG HIS A 10 8.701 -2.180 -4.833 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.724 -1.278 -5.034 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.621 -1.669 -5.471 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.282 -0.266 -5.758 1.00 0.00 C ATOM 120 NE2 HIS A 10 8.008 -0.480 -6.037 1.00 0.00 N ATOM 0 H HIS A 10 6.780 -4.805 -4.477 1.00 0.00 H new ATOM 0 HA HIS A 10 9.327 -4.508 -5.859 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.078 -3.504 -3.298 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.815 -3.409 -3.512 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.638 -2.114 -5.524 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.862 0.590 -6.069 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.409 0.138 -6.584 1.00 0.00 H new ATOM 129 N GLY A 11 9.102 -6.198 -3.013 1.00 0.00 N ATOM 130 CA GLY A 11 9.732 -7.263 -2.256 1.00 0.00 C ATOM 131 C GLY A 11 10.358 -6.767 -0.968 1.00 0.00 C ATOM 132 O GLY A 11 9.705 -6.093 -0.171 1.00 0.00 O ATOM 0 H GLY A 11 8.296 -5.769 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.991 -8.028 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.498 -7.737 -2.870 1.00 0.00 H new ATOM 136 N HIS A 12 11.628 -7.101 -0.762 1.00 0.00 N ATOM 137 CA HIS A 12 12.343 -6.685 0.439 1.00 0.00 C ATOM 138 C HIS A 12 12.273 -5.171 0.617 1.00 0.00 C ATOM 139 O HIS A 12 12.914 -4.422 -0.119 1.00 0.00 O ATOM 140 CB HIS A 12 13.802 -7.136 0.372 1.00 0.00 C ATOM 141 CG HIS A 12 14.599 -6.430 -0.680 1.00 0.00 C ATOM 142 ND1 HIS A 12 15.667 -5.606 -0.390 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.481 -6.428 -2.028 1.00 0.00 C ATOM 144 CE1 HIS A 12 16.170 -5.128 -1.513 1.00 0.00 C ATOM 145 NE2 HIS A 12 15.469 -5.611 -2.523 1.00 0.00 N ATOM 0 H HIS A 12 12.183 -7.659 -1.411 1.00 0.00 H new ATOM 0 HA HIS A 12 11.865 -7.156 1.298 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.270 -6.971 1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.834 -8.209 0.181 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.747 -6.968 -2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 12 17.012 -4.456 -1.592 1.00 0.00 H new ATOM 0 HE2 HIS A 12 15.634 -5.410 -3.509 1.00 0.00 H new ATOM 154 N MET A 13 11.491 -4.731 1.597 1.00 0.00 N ATOM 155 CA MET A 13 11.339 -3.305 1.870 1.00 0.00 C ATOM 156 C MET A 13 10.626 -3.080 3.199 1.00 0.00 C ATOM 157 O MET A 13 9.621 -3.728 3.493 1.00 0.00 O ATOM 158 CB MET A 13 10.562 -2.628 0.739 1.00 0.00 C ATOM 159 CG MET A 13 10.322 -1.145 0.972 1.00 0.00 C ATOM 160 SD MET A 13 10.197 -0.213 -0.567 1.00 0.00 S ATOM 161 CE MET A 13 9.106 -1.269 -1.516 1.00 0.00 C ATOM 0 H MET A 13 10.953 -5.339 2.215 1.00 0.00 H new ATOM 0 HA MET A 13 12.334 -2.863 1.932 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.109 -2.757 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.602 -3.129 0.618 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.405 -1.015 1.547 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.135 -0.739 1.573 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.904 -0.808 -2.483 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.580 -2.239 -1.668 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.169 -1.403 -0.976 1.00 0.00 H new ATOM 171 N SER A 14 11.153 -2.158 3.999 1.00 0.00 N ATOM 172 CA SER A 14 10.569 -1.851 5.299 1.00 0.00 C ATOM 173 C SER A 14 9.516 -0.754 5.176 1.00 0.00 C ATOM 174 O SER A 14 9.312 -0.192 4.101 1.00 0.00 O ATOM 175 CB SER A 14 11.659 -1.420 6.282 1.00 0.00 C ATOM 176 OG SER A 14 12.747 -2.328 6.268 1.00 0.00 O ATOM 0 H SER A 14 11.983 -1.611 3.769 1.00 0.00 H new ATOM 0 HA SER A 14 10.086 -2.753 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.011 -0.421 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.243 -1.361 7.288 1.00 0.00 H new ATOM 0 HG SER A 14 13.431 -2.029 6.903 1.00 0.00 H new ATOM 182 N GLY A 15 8.850 -0.453 6.287 1.00 0.00 N ATOM 183 CA GLY A 15 7.825 0.575 6.283 1.00 0.00 C ATOM 184 C GLY A 15 8.392 1.955 6.015 1.00 0.00 C ATOM 185 O GLY A 15 8.128 2.549 4.969 1.00 0.00 O ATOM 0 H GLY A 15 9.002 -0.903 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.079 0.338 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.312 0.576 7.245 1.00 0.00 H new ATOM 189 N GLY A 16 9.171 2.469 6.962 1.00 0.00 N ATOM 190 CA GLY A 16 9.761 3.785 6.804 1.00 0.00 C ATOM 191 C GLY A 16 10.245 4.038 5.390 1.00 0.00 C ATOM 192 O GLY A 16 10.286 5.181 4.937 1.00 0.00 O ATOM 0 H GLY A 16 9.404 1.997 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.027 4.544 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.597 3.890 7.495 1.00 0.00 H new ATOM 196 N GLN A 17 10.613 2.968 4.692 1.00 0.00 N ATOM 197 CA GLN A 17 11.099 3.080 3.322 1.00 0.00 C ATOM 198 C GLN A 17 9.960 3.419 2.367 1.00 0.00 C ATOM 199 O GLN A 17 9.951 4.482 1.748 1.00 0.00 O ATOM 200 CB GLN A 17 11.773 1.777 2.889 1.00 0.00 C ATOM 201 CG GLN A 17 12.869 1.974 1.854 1.00 0.00 C ATOM 202 CD GLN A 17 14.230 2.206 2.482 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.460 1.853 3.638 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.140 2.801 1.719 1.00 0.00 N ATOM 0 H GLN A 17 10.584 2.014 5.053 1.00 0.00 H new ATOM 0 HA GLN A 17 11.830 3.887 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.197 1.288 3.766 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.018 1.104 2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.916 1.097 1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.616 2.824 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.905 3.077 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.074 2.982 2.087 1.00 0.00 H new ATOM 213 N ALA A 18 9.000 2.507 2.251 1.00 0.00 N ATOM 214 CA ALA A 18 7.855 2.710 1.372 1.00 0.00 C ATOM 215 C ALA A 18 7.423 4.173 1.363 1.00 0.00 C ATOM 216 O ALA A 18 7.182 4.750 0.303 1.00 0.00 O ATOM 217 CB ALA A 18 6.697 1.818 1.799 1.00 0.00 C ATOM 0 H ALA A 18 8.993 1.620 2.755 1.00 0.00 H new ATOM 0 HA ALA A 18 8.153 2.440 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.849 1.980 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.004 0.773 1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.408 2.061 2.821 1.00 0.00 H new ATOM 223 N GLU A 19 7.327 4.764 2.549 1.00 0.00 N ATOM 224 CA GLU A 19 6.921 6.159 2.674 1.00 0.00 C ATOM 225 C GLU A 19 7.779 7.057 1.786 1.00 0.00 C ATOM 226 O GLU A 19 7.263 7.907 1.060 1.00 0.00 O ATOM 227 CB GLU A 19 7.028 6.615 4.131 1.00 0.00 C ATOM 228 CG GLU A 19 5.752 6.406 4.929 1.00 0.00 C ATOM 229 CD GLU A 19 5.816 7.033 6.308 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.930 7.123 6.866 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.754 7.432 6.829 1.00 0.00 O ATOM 0 H GLU A 19 7.524 4.300 3.436 1.00 0.00 H new ATOM 0 HA GLU A 19 5.884 6.239 2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.841 6.073 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.292 7.672 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.911 6.830 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.561 5.337 5.029 1.00 0.00 H new ATOM 238 N THR A 20 9.092 6.861 1.849 1.00 0.00 N ATOM 239 CA THR A 20 10.022 7.653 1.053 1.00 0.00 C ATOM 240 C THR A 20 9.797 7.430 -0.438 1.00 0.00 C ATOM 241 O THR A 20 9.520 8.371 -1.183 1.00 0.00 O ATOM 242 CB THR A 20 11.485 7.315 1.397 1.00 0.00 C ATOM 243 OG1 THR A 20 11.717 7.508 2.796 1.00 0.00 O ATOM 244 CG2 THR A 20 12.443 8.182 0.594 1.00 0.00 C ATOM 0 H THR A 20 9.536 6.161 2.443 1.00 0.00 H new ATOM 0 HA THR A 20 9.833 8.699 1.293 1.00 0.00 H new ATOM 0 HB THR A 20 11.663 6.271 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.649 7.289 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.470 7.926 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.284 8.010 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.262 9.232 0.823 1.00 0.00 H new ATOM 252 N LEU A 21 9.917 6.179 -0.868 1.00 0.00 N ATOM 253 CA LEU A 21 9.726 5.830 -2.273 1.00 0.00 C ATOM 254 C LEU A 21 8.417 6.407 -2.803 1.00 0.00 C ATOM 255 O LEU A 21 8.356 6.907 -3.927 1.00 0.00 O ATOM 256 CB LEU A 21 9.734 4.311 -2.447 1.00 0.00 C ATOM 257 CG LEU A 21 11.001 3.590 -1.984 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.905 3.243 -0.505 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.234 2.335 -2.813 1.00 0.00 C ATOM 0 H LEU A 21 10.146 5.389 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 21 10.549 6.259 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.885 3.898 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.576 4.085 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 21 11.850 4.258 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.815 2.730 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.785 4.157 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.046 2.592 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.140 1.835 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.384 1.662 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.346 2.608 -3.862 1.00 0.00 H new ATOM 271 N LEU A 22 7.371 6.337 -1.986 1.00 0.00 N ATOM 272 CA LEU A 22 6.063 6.854 -2.371 1.00 0.00 C ATOM 273 C LEU A 22 6.045 8.378 -2.325 1.00 0.00 C ATOM 274 O LEU A 22 5.949 9.038 -3.360 1.00 0.00 O ATOM 275 CB LEU A 22 4.979 6.291 -1.451 1.00 0.00 C ATOM 276 CG LEU A 22 4.485 4.881 -1.778 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.668 4.321 -0.625 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.667 4.887 -3.061 1.00 0.00 C ATOM 0 H LEU A 22 7.404 5.927 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 22 5.862 6.538 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.361 6.293 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.125 6.968 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 22 5.352 4.238 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.325 3.317 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.286 4.280 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.807 4.964 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.324 3.876 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.806 5.544 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.285 5.245 -3.885 1.00 0.00 H new ATOM 290 N GLN A 23 6.138 8.929 -1.120 1.00 0.00 N ATOM 291 CA GLN A 23 6.135 10.377 -0.940 1.00 0.00 C ATOM 292 C GLN A 23 6.992 11.060 -2.000 1.00 0.00 C ATOM 293 O GLN A 23 6.605 12.084 -2.561 1.00 0.00 O ATOM 294 CB GLN A 23 6.643 10.740 0.456 1.00 0.00 C ATOM 295 CG GLN A 23 5.604 10.553 1.549 1.00 0.00 C ATOM 296 CD GLN A 23 6.149 10.856 2.931 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.362 10.893 3.138 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.253 11.075 3.887 1.00 0.00 N ATOM 0 H GLN A 23 6.216 8.396 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 23 5.109 10.728 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.515 10.128 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.974 11.779 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.751 11.201 1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.237 9.527 1.524 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.257 11.034 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.561 11.284 4.837 1.00 0.00 H new ATOM 307 N ALA A 24 8.160 10.485 -2.269 1.00 0.00 N ATOM 308 CA ALA A 24 9.072 11.038 -3.262 1.00 0.00 C ATOM 309 C ALA A 24 8.383 11.195 -4.614 1.00 0.00 C ATOM 310 O ALA A 24 8.530 12.219 -5.281 1.00 0.00 O ATOM 311 CB ALA A 24 10.305 10.155 -3.396 1.00 0.00 C ATOM 0 H ALA A 24 8.496 9.637 -1.813 1.00 0.00 H new ATOM 0 HA ALA A 24 9.381 12.027 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.978 10.580 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.817 10.097 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.004 9.155 -3.707 1.00 0.00 H new ATOM 317 N LYS A 25 7.632 10.174 -5.011 1.00 0.00 N ATOM 318 CA LYS A 25 6.918 10.198 -6.283 1.00 0.00 C ATOM 319 C LYS A 25 6.018 11.426 -6.378 1.00 0.00 C ATOM 320 O LYS A 25 5.986 12.106 -7.403 1.00 0.00 O ATOM 321 CB LYS A 25 6.082 8.927 -6.446 1.00 0.00 C ATOM 322 CG LYS A 25 5.344 8.851 -7.772 1.00 0.00 C ATOM 323 CD LYS A 25 6.232 8.299 -8.875 1.00 0.00 C ATOM 324 CE LYS A 25 5.410 7.793 -10.050 1.00 0.00 C ATOM 325 NZ LYS A 25 4.872 6.427 -9.801 1.00 0.00 N ATOM 0 H LYS A 25 7.502 9.319 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 25 7.655 10.246 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.734 8.059 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.358 8.871 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.463 8.219 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.992 9.844 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.916 9.076 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.843 7.487 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.585 8.480 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.028 7.782 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.317 6.117 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.660 5.766 -9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.262 6.442 -8.959 1.00 0.00 H new ATOM 339 N GLY A 26 5.290 11.706 -5.301 1.00 0.00 N ATOM 340 CA GLY A 26 4.401 12.853 -5.285 1.00 0.00 C ATOM 341 C GLY A 26 3.138 12.620 -6.091 1.00 0.00 C ATOM 342 O GLY A 26 2.404 13.560 -6.391 1.00 0.00 O ATOM 0 H GLY A 26 5.300 11.159 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.133 13.086 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.927 13.722 -5.682 1.00 0.00 H new ATOM 346 N GLU A 27 2.887 11.363 -6.443 1.00 0.00 N ATOM 347 CA GLU A 27 1.706 11.010 -7.222 1.00 0.00 C ATOM 348 C GLU A 27 0.598 10.476 -6.317 1.00 0.00 C ATOM 349 O GLU A 27 0.771 9.496 -5.594 1.00 0.00 O ATOM 350 CB GLU A 27 2.059 9.967 -8.283 1.00 0.00 C ATOM 351 CG GLU A 27 2.512 10.570 -9.602 1.00 0.00 C ATOM 352 CD GLU A 27 3.778 11.393 -9.463 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.773 12.359 -8.672 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.773 11.071 -10.146 1.00 0.00 O ATOM 0 H GLU A 27 3.485 10.573 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 27 1.346 11.912 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.849 9.322 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.190 9.334 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.680 9.771 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.716 11.199 -10.002 1.00 0.00 H new ATOM 361 N PRO A 28 -0.569 11.137 -6.359 1.00 0.00 N ATOM 362 CA PRO A 28 -1.728 10.748 -5.551 1.00 0.00 C ATOM 363 C PRO A 28 -2.345 9.433 -6.016 1.00 0.00 C ATOM 364 O PRO A 28 -2.423 9.164 -7.214 1.00 0.00 O ATOM 365 CB PRO A 28 -2.711 11.903 -5.760 1.00 0.00 C ATOM 366 CG PRO A 28 -2.336 12.485 -7.080 1.00 0.00 C ATOM 367 CD PRO A 28 -0.846 12.315 -7.198 1.00 0.00 C ATOM 0 HA PRO A 28 -1.459 10.582 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.742 11.550 -5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.628 12.642 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.853 11.975 -7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.615 13.537 -7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.541 12.153 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.312 13.196 -6.842 1.00 0.00 H new ATOM 375 N TRP A 29 -2.781 8.619 -5.061 1.00 0.00 N ATOM 376 CA TRP A 29 -3.391 7.331 -5.375 1.00 0.00 C ATOM 377 C TRP A 29 -2.356 6.361 -5.932 1.00 0.00 C ATOM 378 O TRP A 29 -2.652 5.567 -6.826 1.00 0.00 O ATOM 379 CB TRP A 29 -4.530 7.515 -6.380 1.00 0.00 C ATOM 380 CG TRP A 29 -5.405 8.694 -6.077 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.836 9.643 -6.960 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.952 9.050 -4.803 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.619 10.567 -6.312 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.706 10.225 -4.988 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.881 8.490 -3.524 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.382 10.849 -3.942 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.552 9.110 -2.488 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.294 10.279 -2.701 1.00 0.00 C ATOM 0 H TRP A 29 -2.724 8.827 -4.064 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.794 6.912 -4.453 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.109 7.631 -7.379 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.141 6.612 -6.395 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.596 9.664 -8.013 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.063 11.376 -6.746 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.312 7.589 -3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.955 11.750 -4.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.504 8.686 -1.496 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.807 10.739 -1.869 1.00 0.00 H new ATOM 399 N THR A 30 -1.141 6.427 -5.398 1.00 0.00 N ATOM 400 CA THR A 30 -0.062 5.554 -5.843 1.00 0.00 C ATOM 401 C THR A 30 0.081 4.344 -4.926 1.00 0.00 C ATOM 402 O THR A 30 0.623 4.449 -3.826 1.00 0.00 O ATOM 403 CB THR A 30 1.282 6.304 -5.898 1.00 0.00 C ATOM 404 OG1 THR A 30 1.212 7.366 -6.856 1.00 0.00 O ATOM 405 CG2 THR A 30 2.416 5.358 -6.263 1.00 0.00 C ATOM 0 H THR A 30 -0.879 7.076 -4.656 1.00 0.00 H new ATOM 0 HA THR A 30 -0.323 5.217 -6.846 1.00 0.00 H new ATOM 0 HB THR A 30 1.481 6.719 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.343 8.225 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.355 5.911 -6.296 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.486 4.568 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.221 4.916 -7.240 1.00 0.00 H new ATOM 413 N PHE A 31 -0.408 3.198 -5.386 1.00 0.00 N ATOM 414 CA PHE A 31 -0.335 1.968 -4.605 1.00 0.00 C ATOM 415 C PHE A 31 0.901 1.157 -4.982 1.00 0.00 C ATOM 416 O PHE A 31 1.442 1.303 -6.079 1.00 0.00 O ATOM 417 CB PHE A 31 -1.596 1.127 -4.819 1.00 0.00 C ATOM 418 CG PHE A 31 -1.651 0.462 -6.165 1.00 0.00 C ATOM 419 CD1 PHE A 31 -2.001 1.182 -7.295 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.351 -0.885 -6.299 1.00 0.00 C ATOM 421 CE1 PHE A 31 -2.052 0.573 -8.535 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.401 -1.499 -7.536 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.752 -0.770 -8.655 1.00 0.00 C ATOM 0 H PHE A 31 -0.859 3.095 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.262 2.240 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.650 0.364 -4.043 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.473 1.764 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.237 2.232 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.075 -1.460 -5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.326 1.146 -9.408 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.166 -2.549 -7.628 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.792 -1.249 -9.622 1.00 0.00 H new ATOM 433 N LEU A 32 1.343 0.303 -4.066 1.00 0.00 N ATOM 434 CA LEU A 32 2.516 -0.532 -4.301 1.00 0.00 C ATOM 435 C LEU A 32 2.529 -1.729 -3.356 1.00 0.00 C ATOM 436 O LEU A 32 2.196 -1.607 -2.177 1.00 0.00 O ATOM 437 CB LEU A 32 3.795 0.288 -4.122 1.00 0.00 C ATOM 438 CG LEU A 32 4.298 0.442 -2.686 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.027 -0.815 -2.239 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.205 1.657 -2.566 1.00 0.00 C ATOM 0 H LEU A 32 0.907 0.170 -3.153 1.00 0.00 H new ATOM 0 HA LEU A 32 2.470 -0.901 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.585 -0.174 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.626 1.282 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 32 3.437 0.590 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.378 -0.687 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.348 -1.666 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.879 -0.994 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.553 1.751 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.061 1.539 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.651 2.553 -2.845 1.00 0.00 H new ATOM 452 N VAL A 33 2.920 -2.886 -3.882 1.00 0.00 N ATOM 453 CA VAL A 33 2.981 -4.106 -3.085 1.00 0.00 C ATOM 454 C VAL A 33 4.413 -4.415 -2.663 1.00 0.00 C ATOM 455 O VAL A 33 5.357 -4.190 -3.421 1.00 0.00 O ATOM 456 CB VAL A 33 2.414 -5.311 -3.858 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.330 -6.533 -2.957 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.051 -4.974 -4.442 1.00 0.00 C ATOM 0 H VAL A 33 3.199 -3.004 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 33 2.372 -3.935 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 33 3.090 -5.543 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.927 -7.374 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.326 -6.785 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.677 -6.317 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.665 -5.836 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.364 -4.715 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.146 -4.129 -5.124 1.00 0.00 H new ATOM 468 N ARG A 34 4.568 -4.933 -1.448 1.00 0.00 N ATOM 469 CA ARG A 34 5.886 -5.273 -0.925 1.00 0.00 C ATOM 470 C ARG A 34 5.776 -6.311 0.188 1.00 0.00 C ATOM 471 O ARG A 34 4.813 -6.315 0.953 1.00 0.00 O ATOM 472 CB ARG A 34 6.590 -4.020 -0.402 1.00 0.00 C ATOM 473 CG ARG A 34 5.937 -3.427 0.837 1.00 0.00 C ATOM 474 CD ARG A 34 6.855 -2.431 1.528 1.00 0.00 C ATOM 475 NE ARG A 34 6.108 -1.447 2.306 1.00 0.00 N ATOM 476 CZ ARG A 34 5.620 -1.685 3.518 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.801 -2.869 4.088 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.952 -0.739 4.165 1.00 0.00 N ATOM 0 H ARG A 34 3.797 -5.126 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 34 6.474 -5.698 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.627 -4.265 -0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.606 -3.267 -1.190 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.006 -2.933 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.678 -4.227 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.542 -2.966 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.461 -1.918 0.781 1.00 0.00 H new ATOM 0 HE ARG A 34 5.952 -0.526 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.316 -3.599 3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.425 -3.050 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.812 0.174 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.578 -0.924 5.096 1.00 0.00 H new ATOM 492 N GLU A 35 6.772 -7.188 0.273 1.00 0.00 N ATOM 493 CA GLU A 35 6.786 -8.231 1.292 1.00 0.00 C ATOM 494 C GLU A 35 6.808 -7.623 2.692 1.00 0.00 C ATOM 495 O GLU A 35 6.942 -6.410 2.851 1.00 0.00 O ATOM 496 CB GLU A 35 8.000 -9.144 1.102 1.00 0.00 C ATOM 497 CG GLU A 35 7.770 -10.257 0.094 1.00 0.00 C ATOM 498 CD GLU A 35 9.058 -10.735 -0.551 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.833 -9.882 -1.031 1.00 0.00 O ATOM 500 OE2 GLU A 35 9.290 -11.962 -0.574 1.00 0.00 O ATOM 0 H GLU A 35 7.579 -7.197 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 35 5.876 -8.821 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.850 -8.543 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.267 -9.584 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.283 -11.097 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.089 -9.906 -0.681 1.00 0.00 H new ATOM 507 N SER A 36 6.673 -8.476 3.702 1.00 0.00 N ATOM 508 CA SER A 36 6.672 -8.023 5.088 1.00 0.00 C ATOM 509 C SER A 36 8.017 -8.305 5.753 1.00 0.00 C ATOM 510 O SER A 36 8.959 -8.761 5.104 1.00 0.00 O ATOM 511 CB SER A 36 5.550 -8.709 5.871 1.00 0.00 C ATOM 512 OG SER A 36 4.289 -8.152 5.546 1.00 0.00 O ATOM 0 H SER A 36 6.563 -9.483 3.587 1.00 0.00 H new ATOM 0 HA SER A 36 6.502 -6.946 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.548 -9.776 5.650 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.732 -8.605 6.941 1.00 0.00 H new ATOM 0 HG SER A 36 3.886 -8.661 4.812 1.00 0.00 H new ATOM 586 N ASP A 42 2.576 -12.774 5.427 1.00 0.00 N ATOM 587 CA ASP A 42 1.711 -11.602 5.361 1.00 0.00 C ATOM 588 C ASP A 42 2.323 -10.524 4.470 1.00 0.00 C ATOM 589 O ASP A 42 3.532 -10.291 4.502 1.00 0.00 O ATOM 590 CB ASP A 42 1.466 -11.043 6.763 1.00 0.00 C ATOM 591 CG ASP A 42 0.459 -11.864 7.545 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.462 -12.428 6.918 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.594 -11.944 8.785 1.00 0.00 O ATOM 0 HA ASP A 42 0.758 -11.908 4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.409 -11.013 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.110 -10.016 6.685 1.00 0.00 H new ATOM 598 N PHE A 43 1.481 -9.872 3.677 1.00 0.00 N ATOM 599 CA PHE A 43 1.939 -8.820 2.776 1.00 0.00 C ATOM 600 C PHE A 43 1.500 -7.447 3.276 1.00 0.00 C ATOM 601 O PHE A 43 0.726 -7.337 4.227 1.00 0.00 O ATOM 602 CB PHE A 43 1.398 -9.058 1.365 1.00 0.00 C ATOM 603 CG PHE A 43 1.711 -10.425 0.826 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.124 -11.552 1.379 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.590 -10.583 -0.234 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.409 -12.811 0.885 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.877 -11.839 -0.732 1.00 0.00 C ATOM 608 CZ PHE A 43 2.288 -12.955 -0.171 1.00 0.00 C ATOM 0 H PHE A 43 0.478 -10.053 3.639 1.00 0.00 H new ATOM 0 HA PHE A 43 3.028 -8.846 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.317 -8.917 1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.814 -8.307 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.436 -11.445 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.056 -9.714 -0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.945 -13.682 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.562 -11.948 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.514 -13.938 -0.557 1.00 0.00 H new ATOM 618 N VAL A 44 2.000 -6.400 2.627 1.00 0.00 N ATOM 619 CA VAL A 44 1.662 -5.033 3.004 1.00 0.00 C ATOM 620 C VAL A 44 1.314 -4.195 1.779 1.00 0.00 C ATOM 621 O VAL A 44 2.008 -4.246 0.761 1.00 0.00 O ATOM 622 CB VAL A 44 2.818 -4.357 3.765 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.493 -2.896 4.041 1.00 0.00 C ATOM 624 CG2 VAL A 44 3.111 -5.101 5.059 1.00 0.00 C ATOM 0 H VAL A 44 2.641 -6.473 1.837 1.00 0.00 H new ATOM 0 HA VAL A 44 0.793 -5.092 3.659 1.00 0.00 H new ATOM 0 HB VAL A 44 3.712 -4.394 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.321 -2.435 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.337 -2.373 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.588 -2.832 4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.930 -4.610 5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.222 -5.098 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.391 -6.130 4.832 1.00 0.00 H new ATOM 634 N LEU A 45 0.239 -3.423 1.882 1.00 0.00 N ATOM 635 CA LEU A 45 -0.201 -2.572 0.782 1.00 0.00 C ATOM 636 C LEU A 45 -0.101 -1.097 1.160 1.00 0.00 C ATOM 637 O LEU A 45 -0.877 -0.602 1.977 1.00 0.00 O ATOM 638 CB LEU A 45 -1.639 -2.913 0.390 1.00 0.00 C ATOM 639 CG LEU A 45 -2.297 -1.979 -0.626 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.626 -2.111 -1.984 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.786 -2.274 -0.735 1.00 0.00 C ATOM 0 H LEU A 45 -0.345 -3.368 2.717 1.00 0.00 H new ATOM 0 HA LEU A 45 0.454 -2.755 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.654 -3.925 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.248 -2.922 1.294 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.174 -0.953 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.107 -1.439 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.571 -1.851 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.718 -3.138 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.238 -1.600 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.930 -3.305 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.258 -2.128 0.237 1.00 0.00 H new ATOM 653 N SER A 46 0.859 -0.401 0.559 1.00 0.00 N ATOM 654 CA SER A 46 1.062 1.016 0.835 1.00 0.00 C ATOM 655 C SER A 46 0.517 1.874 -0.303 1.00 0.00 C ATOM 656 O SER A 46 0.676 1.542 -1.478 1.00 0.00 O ATOM 657 CB SER A 46 2.549 1.310 1.042 1.00 0.00 C ATOM 658 OG SER A 46 3.114 0.431 2.000 1.00 0.00 O ATOM 0 H SER A 46 1.508 -0.795 -0.122 1.00 0.00 H new ATOM 0 HA SER A 46 0.520 1.264 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.078 1.209 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.677 2.342 1.370 1.00 0.00 H new ATOM 0 HG SER A 46 4.088 0.409 1.890 1.00 0.00 H new ATOM 664 N VAL A 47 -0.128 2.980 0.055 1.00 0.00 N ATOM 665 CA VAL A 47 -0.697 3.887 -0.935 1.00 0.00 C ATOM 666 C VAL A 47 -0.510 5.341 -0.518 1.00 0.00 C ATOM 667 O VAL A 47 -0.578 5.674 0.666 1.00 0.00 O ATOM 668 CB VAL A 47 -2.198 3.615 -1.148 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.790 4.621 -2.122 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.416 2.192 -1.640 1.00 0.00 C ATOM 0 H VAL A 47 -0.269 3.269 1.023 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.167 3.708 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.709 3.727 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.851 4.413 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.666 5.628 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.278 4.544 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.482 2.017 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.893 2.050 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.030 1.489 -0.902 1.00 0.00 H new ATOM 680 N LEU A 48 -0.275 6.207 -1.498 1.00 0.00 N ATOM 681 CA LEU A 48 -0.079 7.628 -1.234 1.00 0.00 C ATOM 682 C LEU A 48 -1.361 8.413 -1.496 1.00 0.00 C ATOM 683 O LEU A 48 -1.663 8.765 -2.635 1.00 0.00 O ATOM 684 CB LEU A 48 1.055 8.177 -2.104 1.00 0.00 C ATOM 685 CG LEU A 48 1.628 9.530 -1.683 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.323 9.419 -0.335 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.590 10.053 -2.740 1.00 0.00 C ATOM 0 H LEU A 48 -0.216 5.950 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 48 0.188 7.743 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.865 7.448 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.692 8.261 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 48 0.805 10.238 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.725 10.392 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.607 9.089 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.136 8.697 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.989 11.017 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.410 9.346 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.062 10.171 -3.686 1.00 0.00 H new ATOM 699 N SER A 49 -2.109 8.685 -0.431 1.00 0.00 N ATOM 700 CA SER A 49 -3.360 9.426 -0.545 1.00 0.00 C ATOM 701 C SER A 49 -3.110 10.829 -1.091 1.00 0.00 C ATOM 702 O SER A 49 -2.044 11.408 -0.884 1.00 0.00 O ATOM 703 CB SER A 49 -4.052 9.511 0.816 1.00 0.00 C ATOM 704 OG SER A 49 -3.170 10.009 1.807 1.00 0.00 O ATOM 0 H SER A 49 -1.871 8.403 0.520 1.00 0.00 H new ATOM 0 HA SER A 49 -4.009 8.894 -1.241 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.925 10.159 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.411 8.524 1.107 1.00 0.00 H new ATOM 0 HG SER A 49 -3.536 10.836 2.185 1.00 0.00 H new ATOM 710 N ASP A 50 -4.103 11.370 -1.788 1.00 0.00 N ATOM 711 CA ASP A 50 -3.994 12.706 -2.365 1.00 0.00 C ATOM 712 C ASP A 50 -4.071 13.773 -1.277 1.00 0.00 C ATOM 713 O ASP A 50 -4.019 14.969 -1.565 1.00 0.00 O ATOM 714 CB ASP A 50 -5.099 12.931 -3.397 1.00 0.00 C ATOM 715 CG ASP A 50 -5.302 14.398 -3.718 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.418 14.990 -4.372 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.344 14.956 -3.315 1.00 0.00 O ATOM 0 H ASP A 50 -4.993 10.905 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.026 12.785 -2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.852 12.393 -4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.033 12.512 -3.022 1.00 0.00 H new ATOM 722 N GLN A 51 -4.198 13.333 -0.029 1.00 0.00 N ATOM 723 CA GLN A 51 -4.284 14.251 1.099 1.00 0.00 C ATOM 724 C GLN A 51 -2.900 14.555 1.662 1.00 0.00 C ATOM 725 O GLN A 51 -2.226 13.687 2.217 1.00 0.00 O ATOM 726 CB GLN A 51 -5.176 13.664 2.195 1.00 0.00 C ATOM 727 CG GLN A 51 -6.662 13.772 1.892 1.00 0.00 C ATOM 728 CD GLN A 51 -7.528 13.434 3.090 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.352 13.993 4.174 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.467 12.517 2.901 1.00 0.00 N ATOM 0 H GLN A 51 -4.244 12.346 0.226 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.723 15.183 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.918 12.615 2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.967 14.175 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.888 14.785 1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.911 13.103 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.577 12.080 1.986 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -9.080 12.248 3.671 1.00 0.00 H new ATOM 739 N PRO A 52 -2.464 15.814 1.517 1.00 0.00 N ATOM 740 CA PRO A 52 -1.155 16.260 2.005 1.00 0.00 C ATOM 741 C PRO A 52 -1.090 16.310 3.527 1.00 0.00 C ATOM 742 O PRO A 52 -2.098 16.543 4.195 1.00 0.00 O ATOM 743 CB PRO A 52 -1.018 17.668 1.417 1.00 0.00 C ATOM 744 CG PRO A 52 -2.420 18.130 1.212 1.00 0.00 C ATOM 745 CD PRO A 52 -3.215 16.901 0.865 1.00 0.00 C ATOM 0 HA PRO A 52 -0.356 15.580 1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.478 18.329 2.095 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.465 17.653 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.810 18.605 2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.474 18.869 0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.237 16.964 1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.279 16.755 -0.213 1.00 0.00 H new ATOM 753 N LYS A 53 0.101 16.088 4.071 1.00 0.00 N ATOM 754 CA LYS A 53 0.300 16.110 5.516 1.00 0.00 C ATOM 755 C LYS A 53 -0.228 17.408 6.119 1.00 0.00 C ATOM 756 O LYS A 53 -1.003 17.389 7.074 1.00 0.00 O ATOM 757 CB LYS A 53 1.784 15.945 5.850 1.00 0.00 C ATOM 758 CG LYS A 53 2.229 14.497 5.950 1.00 0.00 C ATOM 759 CD LYS A 53 3.483 14.356 6.796 1.00 0.00 C ATOM 760 CE LYS A 53 3.146 14.176 8.268 1.00 0.00 C ATOM 761 NZ LYS A 53 4.249 14.646 9.151 1.00 0.00 N ATOM 0 H LYS A 53 0.945 15.890 3.533 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.257 15.278 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.377 16.446 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.993 16.446 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.428 13.898 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.417 14.103 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.064 13.502 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.109 15.240 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.234 14.726 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.944 13.124 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.981 14.506 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.113 14.104 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.425 15.656 8.979 1.00 0.00 H new ATOM 775 N ALA A 54 0.195 18.533 5.553 1.00 0.00 N ATOM 776 CA ALA A 54 -0.237 19.840 6.032 1.00 0.00 C ATOM 777 C ALA A 54 -0.941 20.624 4.929 1.00 0.00 C ATOM 778 O ALA A 54 -2.151 20.840 4.982 1.00 0.00 O ATOM 779 CB ALA A 54 0.951 20.626 6.566 1.00 0.00 C ATOM 0 H ALA A 54 0.837 18.566 4.761 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.949 19.685 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.613 21.600 6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.409 20.079 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.684 20.763 5.771 1.00 0.00 H new ATOM 785 N GLY A 55 -0.174 21.049 3.930 1.00 0.00 N ATOM 786 CA GLY A 55 -0.741 21.805 2.829 1.00 0.00 C ATOM 787 C GLY A 55 0.010 21.591 1.530 1.00 0.00 C ATOM 788 O GLY A 55 0.622 20.547 1.308 1.00 0.00 O ATOM 0 H GLY A 55 0.830 20.883 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.784 21.517 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.733 22.866 3.079 1.00 0.00 H new ATOM 792 N PRO A 56 -0.033 22.598 0.644 1.00 0.00 N ATOM 793 CA PRO A 56 0.643 22.537 -0.656 1.00 0.00 C ATOM 794 C PRO A 56 2.161 22.589 -0.523 1.00 0.00 C ATOM 795 O PRO A 56 2.775 23.636 -0.717 1.00 0.00 O ATOM 796 CB PRO A 56 0.127 23.782 -1.381 1.00 0.00 C ATOM 797 CG PRO A 56 -0.252 24.726 -0.293 1.00 0.00 C ATOM 798 CD PRO A 56 -0.743 23.871 0.843 1.00 0.00 C ATOM 0 HA PRO A 56 0.436 21.604 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.894 24.210 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.728 23.545 -2.015 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.601 25.331 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.028 25.415 -0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.508 24.315 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.824 23.738 0.807 1.00 0.00 H new ATOM 806 N GLY A 57 2.760 21.449 -0.190 1.00 0.00 N ATOM 807 CA GLY A 57 4.203 21.387 -0.038 1.00 0.00 C ATOM 808 C GLY A 57 4.650 20.173 0.752 1.00 0.00 C ATOM 809 O GLY A 57 5.759 19.673 0.560 1.00 0.00 O ATOM 0 H GLY A 57 2.273 20.569 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.669 21.367 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.552 22.291 0.462 1.00 0.00 H new ATOM 813 N SER A 58 3.786 19.697 1.643 1.00 0.00 N ATOM 814 CA SER A 58 4.101 18.536 2.469 1.00 0.00 C ATOM 815 C SER A 58 3.938 17.245 1.674 1.00 0.00 C ATOM 816 O SER A 58 3.166 17.166 0.718 1.00 0.00 O ATOM 817 CB SER A 58 3.201 18.506 3.705 1.00 0.00 C ATOM 818 OG SER A 58 1.919 17.991 3.391 1.00 0.00 O ATOM 0 H SER A 58 2.863 20.097 1.812 1.00 0.00 H new ATOM 0 HA SER A 58 5.140 18.617 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.662 17.894 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.102 19.513 4.111 1.00 0.00 H new ATOM 0 HG SER A 58 1.652 18.299 2.500 1.00 0.00 H new ATOM 824 N PRO A 59 4.683 16.205 2.077 1.00 0.00 N ATOM 825 CA PRO A 59 4.638 14.896 1.418 1.00 0.00 C ATOM 826 C PRO A 59 3.319 14.170 1.659 1.00 0.00 C ATOM 827 O PRO A 59 2.962 13.871 2.798 1.00 0.00 O ATOM 828 CB PRO A 59 5.795 14.132 2.067 1.00 0.00 C ATOM 829 CG PRO A 59 5.973 14.776 3.400 1.00 0.00 C ATOM 830 CD PRO A 59 5.625 16.226 3.209 1.00 0.00 C ATOM 0 HA PRO A 59 4.721 14.983 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.563 13.072 2.167 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.703 14.204 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.326 14.314 4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.998 14.664 3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.169 16.651 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.508 16.825 2.986 1.00 0.00 H new ATOM 838 N LEU A 60 2.600 13.890 0.578 1.00 0.00 N ATOM 839 CA LEU A 60 1.318 13.197 0.671 1.00 0.00 C ATOM 840 C LEU A 60 1.352 12.134 1.764 1.00 0.00 C ATOM 841 O LEU A 60 2.400 11.555 2.048 1.00 0.00 O ATOM 842 CB LEU A 60 0.965 12.553 -0.671 1.00 0.00 C ATOM 843 CG LEU A 60 0.451 13.501 -1.755 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.071 12.724 -3.007 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.736 14.304 -1.243 1.00 0.00 C ATOM 0 H LEU A 60 2.881 14.131 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 60 0.554 13.931 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.851 12.044 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.208 11.788 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 60 1.250 14.196 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.293 13.415 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.945 12.194 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.712 12.005 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.088 14.973 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.539 13.624 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.432 14.890 -0.376 1.00 0.00 H new ATOM 857 N ARG A 61 0.198 11.882 2.373 1.00 0.00 N ATOM 858 CA ARG A 61 0.095 10.888 3.434 1.00 0.00 C ATOM 859 C ARG A 61 0.208 9.474 2.869 1.00 0.00 C ATOM 860 O ARG A 61 -0.263 9.197 1.766 1.00 0.00 O ATOM 861 CB ARG A 61 -1.230 11.046 4.183 1.00 0.00 C ATOM 862 CG ARG A 61 -1.155 10.633 5.645 1.00 0.00 C ATOM 863 CD ARG A 61 -0.753 11.800 6.532 1.00 0.00 C ATOM 864 NE ARG A 61 -0.336 11.359 7.861 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.339 12.146 8.931 1.00 0.00 C ATOM 866 NH1 ARG A 61 -0.736 13.406 8.831 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.056 11.671 10.106 1.00 0.00 N ATOM 0 H ARG A 61 -0.679 12.353 2.150 1.00 0.00 H new ATOM 0 HA ARG A 61 0.919 11.049 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.550 12.086 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.993 10.449 3.684 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.123 10.247 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.435 9.823 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.061 12.350 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.592 12.490 6.626 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.026 10.394 7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.041 13.775 7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.737 14.007 9.655 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.362 10.701 10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.054 12.276 10.927 1.00 0.00 H new ATOM 881 N VAL A 62 0.834 8.585 3.632 1.00 0.00 N ATOM 882 CA VAL A 62 1.008 7.201 3.208 1.00 0.00 C ATOM 883 C VAL A 62 0.242 6.248 4.117 1.00 0.00 C ATOM 884 O VAL A 62 0.431 6.245 5.335 1.00 0.00 O ATOM 885 CB VAL A 62 2.495 6.800 3.197 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.692 5.499 2.434 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.343 7.912 2.598 1.00 0.00 C ATOM 0 H VAL A 62 1.230 8.798 4.548 1.00 0.00 H new ATOM 0 HA VAL A 62 0.613 7.128 2.195 1.00 0.00 H new ATOM 0 HB VAL A 62 2.818 6.642 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.749 5.232 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.116 4.706 2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.353 5.625 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.391 7.611 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.021 8.104 1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.226 8.819 3.191 1.00 0.00 H new ATOM 897 N THR A 63 -0.625 5.436 3.519 1.00 0.00 N ATOM 898 CA THR A 63 -1.422 4.478 4.275 1.00 0.00 C ATOM 899 C THR A 63 -0.775 3.096 4.264 1.00 0.00 C ATOM 900 O THR A 63 -0.620 2.481 3.209 1.00 0.00 O ATOM 901 CB THR A 63 -2.850 4.367 3.713 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.462 5.661 3.671 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.695 3.428 4.561 1.00 0.00 C ATOM 0 H THR A 63 -0.793 5.423 2.513 1.00 0.00 H new ATOM 0 HA THR A 63 -1.471 4.847 5.300 1.00 0.00 H new ATOM 0 HB THR A 63 -2.788 3.962 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.404 5.586 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.700 3.366 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.243 2.436 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.749 3.808 5.581 1.00 0.00 H new ATOM 911 N HIS A 64 -0.400 2.615 5.445 1.00 0.00 N ATOM 912 CA HIS A 64 0.230 1.304 5.570 1.00 0.00 C ATOM 913 C HIS A 64 -0.787 0.254 6.007 1.00 0.00 C ATOM 914 O HIS A 64 -1.190 0.211 7.170 1.00 0.00 O ATOM 915 CB HIS A 64 1.382 1.363 6.573 1.00 0.00 C ATOM 916 CG HIS A 64 2.402 2.413 6.252 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.240 2.339 5.159 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.715 3.565 6.887 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.025 3.400 5.138 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.727 4.161 6.175 1.00 0.00 N ATOM 0 H HIS A 64 -0.521 3.112 6.328 1.00 0.00 H new ATOM 0 HA HIS A 64 0.623 1.021 4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.978 1.553 7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.872 0.390 6.608 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.251 1.583 4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.255 3.946 7.787 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.783 3.610 4.398 1.00 0.00 H new ATOM 929 N ILE A 65 -1.199 -0.590 5.067 1.00 0.00 N ATOM 930 CA ILE A 65 -2.168 -1.641 5.356 1.00 0.00 C ATOM 931 C ILE A 65 -1.500 -3.012 5.382 1.00 0.00 C ATOM 932 O ILE A 65 -0.639 -3.313 4.555 1.00 0.00 O ATOM 933 CB ILE A 65 -3.306 -1.656 4.320 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.066 -0.328 4.345 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.251 -2.818 4.588 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.663 0.052 3.009 1.00 0.00 C ATOM 0 H ILE A 65 -0.877 -0.567 4.099 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.586 -1.425 6.339 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.873 -1.786 3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.863 -0.389 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.389 0.462 4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.050 -2.815 3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.701 -3.757 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.680 -2.716 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.186 1.004 3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.868 0.146 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.365 -0.719 2.692 1.00 0.00 H new ATOM 948 N LYS A 66 -1.906 -3.843 6.337 1.00 0.00 N ATOM 949 CA LYS A 66 -1.350 -5.185 6.471 1.00 0.00 C ATOM 950 C LYS A 66 -2.266 -6.218 5.823 1.00 0.00 C ATOM 951 O LYS A 66 -3.307 -6.573 6.375 1.00 0.00 O ATOM 952 CB LYS A 66 -1.141 -5.527 7.948 1.00 0.00 C ATOM 953 CG LYS A 66 -0.071 -4.684 8.621 1.00 0.00 C ATOM 954 CD LYS A 66 0.579 -5.428 9.776 1.00 0.00 C ATOM 955 CE LYS A 66 1.259 -4.471 10.744 1.00 0.00 C ATOM 956 NZ LYS A 66 0.288 -3.862 11.694 1.00 0.00 N ATOM 0 H LYS A 66 -2.618 -3.611 7.029 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.387 -5.207 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.083 -5.396 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.870 -6.579 8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.689 -4.408 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.513 -3.757 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.176 -6.009 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.311 -6.136 9.388 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.028 -5.005 11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.762 -3.683 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.790 -3.216 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.432 -3.332 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.173 -4.612 12.247 1.00 0.00 H new ATOM 970 N VAL A 67 -1.868 -6.700 4.649 1.00 0.00 N ATOM 971 CA VAL A 67 -2.652 -7.696 3.928 1.00 0.00 C ATOM 972 C VAL A 67 -2.462 -9.085 4.528 1.00 0.00 C ATOM 973 O VAL A 67 -1.338 -9.571 4.650 1.00 0.00 O ATOM 974 CB VAL A 67 -2.271 -7.737 2.436 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.166 -8.708 1.683 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.348 -6.345 1.829 1.00 0.00 C ATOM 0 H VAL A 67 -1.009 -6.417 4.178 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.698 -7.403 4.021 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.243 -8.089 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.882 -8.723 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.054 -9.707 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.205 -8.391 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.076 -6.392 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.364 -5.962 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.659 -5.681 2.352 1.00 0.00 H new ATOM 986 N MET A 68 -3.569 -9.719 4.900 1.00 0.00 N ATOM 987 CA MET A 68 -3.525 -11.053 5.486 1.00 0.00 C ATOM 988 C MET A 68 -3.517 -12.124 4.400 1.00 0.00 C ATOM 989 O MET A 68 -3.741 -11.831 3.225 1.00 0.00 O ATOM 990 CB MET A 68 -4.719 -11.265 6.419 1.00 0.00 C ATOM 991 CG MET A 68 -4.523 -10.666 7.802 1.00 0.00 C ATOM 992 SD MET A 68 -6.003 -10.780 8.825 1.00 0.00 S ATOM 993 CE MET A 68 -7.022 -9.503 8.091 1.00 0.00 C ATOM 0 H MET A 68 -4.507 -9.330 4.806 1.00 0.00 H new ATOM 0 HA MET A 68 -2.604 -11.138 6.063 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.607 -10.826 5.964 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.907 -12.334 6.518 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.700 -11.177 8.302 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.234 -9.620 7.703 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.318 -8.788 8.858 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.457 -8.989 7.314 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.912 -9.955 7.654 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.260 -13.365 4.800 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.223 -14.479 3.859 1.00 0.00 C ATOM 1005 C CYS A 69 -3.881 -15.718 4.458 1.00 0.00 C ATOM 1006 O CYS A 69 -3.505 -16.171 5.539 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.779 -14.794 3.466 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.592 -16.307 2.493 1.00 0.00 S ATOM 0 H CYS A 69 -3.074 -13.625 5.769 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.779 -14.188 2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.378 -13.956 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.178 -14.880 4.371 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.529 -16.006 1.230 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.866 -16.260 3.749 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.578 -17.445 4.213 1.00 0.00 C ATOM 1016 C GLU A 70 -5.480 -18.573 3.190 1.00 0.00 C ATOM 1017 O GLU A 70 -6.290 -18.661 2.268 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.047 -17.112 4.483 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.250 -16.146 5.637 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.572 -16.358 6.349 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.586 -15.782 5.901 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -8.593 -17.098 7.355 1.00 0.00 O ATOM 0 H GLU A 70 -5.189 -15.898 2.852 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.112 -17.777 5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.486 -16.685 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.587 -18.035 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.434 -16.262 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.203 -15.123 5.263 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.482 -19.434 3.361 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.295 -20.545 2.446 1.00 0.00 C ATOM 1031 C GLY A 71 -4.215 -20.097 1.000 1.00 0.00 C ATOM 1032 O GLY A 71 -4.940 -20.604 0.145 1.00 0.00 O ATOM 0 H GLY A 71 -3.799 -19.382 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.382 -21.079 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.120 -21.249 2.560 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.331 -19.143 0.725 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.177 -18.642 -0.627 1.00 0.00 C ATOM 1038 C GLY A 72 -4.011 -17.404 -0.886 1.00 0.00 C ATOM 1039 O GLY A 72 -3.551 -16.460 -1.530 1.00 0.00 O ATOM 0 H GLY A 72 -2.719 -18.708 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.127 -18.413 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.460 -19.421 -1.334 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.242 -17.406 -0.386 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.144 -16.275 -0.569 1.00 0.00 C ATOM 1045 C ARG A 73 -5.682 -15.073 0.251 1.00 0.00 C ATOM 1046 O ARG A 73 -4.918 -15.218 1.206 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.568 -16.661 -0.169 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.105 -17.870 -0.919 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.265 -18.516 -0.177 1.00 0.00 C ATOM 1050 NE ARG A 73 -8.808 -19.409 0.883 1.00 0.00 N ATOM 1051 CZ ARG A 73 -9.618 -19.957 1.783 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -10.918 -19.705 1.750 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -9.126 -20.761 2.717 1.00 0.00 N ATOM 0 H ARG A 73 -5.638 -18.179 0.149 1.00 0.00 H new ATOM 0 HA ARG A 73 -6.132 -16.000 -1.624 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.592 -16.868 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.229 -15.812 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.432 -17.567 -1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.307 -18.600 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.898 -17.739 0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.880 -19.075 -0.882 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.812 -19.624 0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.300 -19.089 1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.537 -20.127 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.126 -20.959 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.748 -21.181 3.407 1.00 0.00 H new ATOM 1067 N TYR A 74 -6.150 -13.890 -0.129 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.784 -12.664 0.569 1.00 0.00 C ATOM 1069 C TYR A 74 -7.024 -11.867 0.960 1.00 0.00 C ATOM 1070 O TYR A 74 -8.015 -11.840 0.230 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.870 -11.806 -0.308 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.538 -12.455 -0.612 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.791 -13.056 0.394 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.027 -12.468 -1.905 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.574 -13.651 0.121 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.812 -13.061 -2.186 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.089 -13.651 -1.170 1.00 0.00 C ATOM 1078 OH TYR A 74 0.123 -14.241 -1.446 1.00 0.00 O ATOM 0 H TYR A 74 -6.784 -13.754 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.251 -12.941 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.381 -11.588 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.695 -10.852 0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.168 -13.058 1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.590 -12.007 -2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.006 -14.114 0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.430 -13.063 -3.196 1.00 0.00 H new ATOM 0 HH TYR A 74 0.721 -14.134 -0.677 1.00 0.00 H new ATOM 1088 N THR A 75 -6.963 -11.217 2.119 1.00 0.00 N ATOM 1089 CA THR A 75 -8.079 -10.420 2.609 1.00 0.00 C ATOM 1090 C THR A 75 -7.592 -9.271 3.484 1.00 0.00 C ATOM 1091 O THR A 75 -6.521 -9.346 4.085 1.00 0.00 O ATOM 1092 CB THR A 75 -9.072 -11.280 3.414 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.313 -10.582 3.567 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.504 -11.621 4.784 1.00 0.00 C ATOM 0 H THR A 75 -6.151 -11.228 2.736 1.00 0.00 H new ATOM 0 HA THR A 75 -8.587 -10.015 1.734 1.00 0.00 H new ATOM 0 HB THR A 75 -9.243 -12.207 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.033 -11.099 3.148 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.222 -12.229 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.574 -12.177 4.664 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.308 -10.702 5.336 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.388 -8.208 3.553 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.038 -7.043 4.357 1.00 0.00 C ATOM 1104 C VAL A 76 -9.072 -6.800 5.451 1.00 0.00 C ATOM 1105 O VAL A 76 -10.005 -6.017 5.275 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.918 -5.777 3.489 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.687 -5.855 2.599 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.177 -5.581 2.656 1.00 0.00 C ATOM 0 H VAL A 76 -9.279 -8.130 3.062 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.071 -7.253 4.815 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.807 -4.915 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.619 -4.952 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.795 -5.944 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.764 -6.725 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.075 -4.682 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.321 -6.444 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.038 -5.477 3.317 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.901 -7.477 6.582 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.827 -7.320 7.689 1.00 0.00 C ATOM 1120 C GLY A 77 -11.106 -8.107 7.490 1.00 0.00 C ATOM 1121 O GLY A 77 -11.385 -9.050 8.228 1.00 0.00 O ATOM 0 H GLY A 77 -8.138 -8.132 6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.344 -7.644 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.069 -6.264 7.810 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.888 -7.718 6.487 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.138 -8.403 6.212 1.00 0.00 C ATOM 1127 C GLY A 78 -12.943 -9.885 5.962 1.00 0.00 C ATOM 1128 O GLY A 78 -11.812 -10.369 5.898 1.00 0.00 O ATOM 0 H GLY A 78 -11.678 -6.941 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.817 -8.266 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.613 -7.950 5.342 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.047 -10.609 5.822 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.995 -12.047 5.579 1.00 0.00 C ATOM 1134 C LEU A 79 -13.750 -12.341 4.102 1.00 0.00 C ATOM 1135 O LEU A 79 -13.315 -13.435 3.743 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.295 -12.710 6.033 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.541 -12.743 7.542 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.020 -12.940 7.838 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.713 -13.842 8.193 1.00 0.00 C ATOM 0 H LEU A 79 -14.990 -10.224 5.873 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.166 -12.457 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.129 -12.190 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.306 -13.734 5.661 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.232 -11.786 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.176 -12.961 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.590 -12.118 7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.355 -13.882 7.405 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.900 -13.851 9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.990 -14.807 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.654 -13.656 8.011 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.029 -11.356 3.254 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.837 -11.511 1.817 1.00 0.00 C ATOM 1153 C GLU A 80 -12.485 -12.152 1.514 1.00 0.00 C ATOM 1154 O GLU A 80 -11.656 -12.333 2.407 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.938 -10.153 1.118 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.367 -9.692 0.889 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.499 -8.779 -0.315 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.844 -7.716 -0.329 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.259 -9.128 -1.243 1.00 0.00 O ATOM 0 H GLU A 80 -14.388 -10.444 3.537 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.622 -12.166 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.416 -9.406 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.425 -10.209 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.008 -10.563 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.723 -9.170 1.777 1.00 0.00 H new ATOM 1166 N THR A 81 -12.268 -12.493 0.247 1.00 0.00 N ATOM 1167 CA THR A 81 -11.020 -13.115 -0.175 1.00 0.00 C ATOM 1168 C THR A 81 -10.773 -12.898 -1.663 1.00 0.00 C ATOM 1169 O THR A 81 -11.695 -12.590 -2.417 1.00 0.00 O ATOM 1170 CB THR A 81 -11.018 -14.627 0.120 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.016 -15.281 -0.672 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.280 -14.892 1.595 1.00 0.00 C ATOM 0 H THR A 81 -12.942 -12.348 -0.505 1.00 0.00 H new ATOM 0 HA THR A 81 -10.222 -12.640 0.395 1.00 0.00 H new ATOM 0 HB THR A 81 -10.035 -15.023 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.008 -16.242 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.274 -15.966 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.503 -14.417 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.252 -14.482 1.871 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.522 -13.062 -2.080 1.00 0.00 N ATOM 1181 CA PHE A 82 -9.153 -12.884 -3.480 1.00 0.00 C ATOM 1182 C PHE A 82 -8.071 -13.878 -3.888 1.00 0.00 C ATOM 1183 O PHE A 82 -7.220 -14.252 -3.080 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.667 -11.454 -3.723 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.643 -10.404 -3.275 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.798 -10.113 -1.928 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.405 -9.708 -4.198 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.695 -9.148 -1.514 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.305 -8.742 -3.789 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.449 -8.461 -2.445 1.00 0.00 C ATOM 0 H PHE A 82 -8.747 -13.318 -1.469 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.038 -13.068 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.722 -11.306 -3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.467 -11.323 -4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.211 -10.647 -1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.295 -9.923 -5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.807 -8.931 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.895 -8.208 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.150 -7.705 -2.122 1.00 0.00 H new ATOM 1200 N ASP A 83 -8.109 -14.303 -5.146 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.131 -15.253 -5.663 1.00 0.00 C ATOM 1202 C ASP A 83 -5.719 -14.865 -5.237 1.00 0.00 C ATOM 1203 O ASP A 83 -4.972 -15.687 -4.706 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.215 -15.326 -7.188 1.00 0.00 C ATOM 1205 CG ASP A 83 -5.927 -15.820 -7.817 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -5.532 -16.970 -7.532 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.313 -15.057 -8.592 1.00 0.00 O ATOM 0 H ASP A 83 -8.807 -14.004 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.360 -16.234 -5.247 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.032 -15.989 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.453 -14.339 -7.583 1.00 0.00 H new ATOM 1212 N SER A 84 -5.358 -13.608 -5.475 1.00 0.00 N ATOM 1213 CA SER A 84 -4.033 -13.112 -5.120 1.00 0.00 C ATOM 1214 C SER A 84 -4.006 -11.587 -5.122 1.00 0.00 C ATOM 1215 O SER A 84 -5.021 -10.936 -5.376 1.00 0.00 O ATOM 1216 CB SER A 84 -2.986 -13.654 -6.095 1.00 0.00 C ATOM 1217 OG SER A 84 -2.508 -14.921 -5.676 1.00 0.00 O ATOM 0 H SER A 84 -5.965 -12.914 -5.912 1.00 0.00 H new ATOM 0 HA SER A 84 -3.798 -13.460 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.420 -13.737 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.154 -12.953 -6.167 1.00 0.00 H new ATOM 0 HG SER A 84 -3.240 -15.428 -5.266 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.837 -11.022 -4.838 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.675 -9.573 -4.806 1.00 0.00 C ATOM 1225 C LEU A 85 -3.286 -8.930 -6.047 1.00 0.00 C ATOM 1226 O LEU A 85 -3.854 -7.838 -5.979 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.194 -9.207 -4.705 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.635 -9.049 -3.290 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.548 -8.167 -2.453 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.455 -10.410 -2.633 1.00 0.00 C ATOM 0 H LEU A 85 -1.988 -11.546 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.197 -9.193 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.615 -9.974 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.034 -8.273 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 85 0.341 -8.568 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.135 -8.065 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.626 -7.183 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.538 -8.620 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.056 -10.279 -1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.418 -10.918 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.239 -11.010 -3.222 1.00 0.00 H new ATOM 1242 N THR A 86 -3.169 -9.614 -7.181 1.00 0.00 N ATOM 1243 CA THR A 86 -3.710 -9.109 -8.437 1.00 0.00 C ATOM 1244 C THR A 86 -5.227 -8.978 -8.368 1.00 0.00 C ATOM 1245 O THR A 86 -5.780 -7.913 -8.644 1.00 0.00 O ATOM 1246 CB THR A 86 -3.339 -10.027 -9.616 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.922 -10.227 -9.656 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.809 -9.431 -10.935 1.00 0.00 C ATOM 0 H THR A 86 -2.704 -10.519 -7.255 1.00 0.00 H new ATOM 0 HA THR A 86 -3.270 -8.125 -8.599 1.00 0.00 H new ATOM 0 HB THR A 86 -3.836 -10.986 -9.470 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.695 -10.813 -10.408 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.536 -10.097 -11.753 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.892 -9.308 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.337 -8.460 -11.084 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.894 -10.065 -7.998 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.349 -10.070 -7.891 1.00 0.00 C ATOM 1258 C ASP A 87 -7.816 -9.125 -6.787 1.00 0.00 C ATOM 1259 O ASP A 87 -8.833 -8.444 -6.928 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.857 -11.486 -7.616 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.331 -11.645 -7.935 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.663 -11.848 -9.122 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.151 -11.568 -6.998 1.00 0.00 O ATOM 0 H ASP A 87 -5.451 -10.954 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.760 -9.723 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.281 -12.197 -8.209 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.686 -11.733 -6.568 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.069 -9.091 -5.690 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.406 -8.231 -4.561 1.00 0.00 C ATOM 1270 C LEU A 88 -7.231 -6.760 -4.926 1.00 0.00 C ATOM 1271 O LEU A 88 -8.195 -5.992 -4.932 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.532 -8.575 -3.353 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.850 -7.824 -2.059 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.504 -8.677 -0.849 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.100 -6.500 -2.014 1.00 0.00 C ATOM 0 H LEU A 88 -6.225 -9.649 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.452 -8.402 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.619 -9.644 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.492 -8.382 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.919 -7.614 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.737 -8.127 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.086 -9.598 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.441 -8.918 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.338 -5.979 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.027 -6.688 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.397 -5.884 -2.863 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.997 -6.373 -5.232 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.697 -4.995 -5.602 1.00 0.00 C ATOM 1289 C VAL A 89 -6.641 -4.500 -6.691 1.00 0.00 C ATOM 1290 O VAL A 89 -7.327 -3.493 -6.520 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.244 -4.850 -6.092 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.951 -3.407 -6.472 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.271 -5.338 -5.029 1.00 0.00 C ATOM 0 H VAL A 89 -5.188 -6.995 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.833 -4.390 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.115 -5.469 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.920 -3.323 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.626 -3.097 -7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.097 -2.765 -5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.249 -5.228 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.398 -4.748 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.467 -6.388 -4.811 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.672 -5.216 -7.811 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.533 -4.849 -8.928 1.00 0.00 C ATOM 1305 C GLU A 90 -8.927 -4.467 -8.439 1.00 0.00 C ATOM 1306 O GLU A 90 -9.384 -3.343 -8.647 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.630 -6.003 -9.928 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.459 -6.072 -10.894 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.789 -6.845 -12.157 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.528 -7.847 -12.061 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.308 -6.449 -13.238 1.00 0.00 O ATOM 0 H GLU A 90 -6.111 -6.053 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.091 -3.985 -9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.694 -6.943 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.554 -5.903 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.153 -5.060 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.610 -6.541 -10.397 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.598 -5.412 -7.788 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.940 -5.176 -7.268 1.00 0.00 C ATOM 1320 C HIS A 91 -10.967 -3.939 -6.374 1.00 0.00 C ATOM 1321 O HIS A 91 -12.023 -3.348 -6.147 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.429 -6.395 -6.486 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.729 -6.170 -5.776 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.012 -5.480 -4.646 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.928 -6.686 -6.218 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.363 -5.590 -4.431 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.893 -6.322 -5.394 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.234 -6.348 -7.608 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.606 -5.006 -8.114 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.540 -7.235 -7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.670 -6.677 -5.756 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.058 -7.294 -7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.905 -5.149 -3.607 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.879 -6.565 -5.485 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.799 -3.555 -5.870 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.690 -2.390 -5.000 1.00 0.00 C ATOM 1338 C PHE A 92 -9.348 -1.140 -5.805 1.00 0.00 C ATOM 1339 O PHE A 92 -9.566 -0.016 -5.351 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.624 -2.626 -3.928 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.174 -3.194 -2.651 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.295 -2.638 -2.056 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.570 -4.285 -2.046 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.803 -3.159 -0.881 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.074 -4.810 -0.870 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.192 -4.247 -0.287 1.00 0.00 C ATOM 0 H PHE A 92 -8.916 -4.033 -6.049 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.655 -2.237 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.868 -3.305 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.123 -1.682 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.777 -1.788 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.696 -4.730 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.677 -2.716 -0.427 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.594 -5.660 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.588 -4.656 0.631 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.811 -1.343 -7.003 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.438 -0.235 -7.874 1.00 0.00 C ATOM 1358 C LYS A 93 -9.676 0.415 -8.487 1.00 0.00 C ATOM 1359 O LYS A 93 -9.608 1.523 -9.019 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.503 -0.722 -8.983 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.242 -1.392 -8.465 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.081 -1.216 -9.429 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.102 -2.270 -10.525 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.994 -2.077 -11.502 1.00 0.00 N ATOM 0 H LYS A 93 -8.624 -2.267 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.918 0.509 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.042 -1.424 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.223 0.125 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.978 -0.971 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.430 -2.454 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.126 -0.223 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.140 -1.277 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.023 -3.261 -10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.058 -2.231 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.043 -2.815 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.083 -1.142 -11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.081 -2.139 -11.008 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.804 -0.281 -8.406 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.058 0.229 -8.950 1.00 0.00 C ATOM 1380 C LYS A 94 -12.995 0.673 -7.832 1.00 0.00 C ATOM 1381 O LYS A 94 -13.712 1.666 -7.964 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.740 -0.842 -9.804 1.00 0.00 C ATOM 1383 CG LYS A 94 -13.032 -2.127 -9.051 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.251 -3.293 -10.001 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.712 -3.419 -10.401 1.00 0.00 C ATOM 1386 NZ LYS A 94 -14.871 -4.108 -11.712 1.00 0.00 N ATOM 0 H LYS A 94 -10.877 -1.200 -7.969 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.829 1.093 -9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.674 -0.441 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.106 -1.069 -10.661 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.203 -2.353 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.917 -1.992 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.639 -3.157 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.922 -4.217 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.253 -3.972 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.160 -2.427 -10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.881 -4.174 -11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.377 -3.568 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.466 -5.064 -11.653 1.00 0.00 H new ATOM 1400 N THR A 95 -12.985 -0.066 -6.726 1.00 0.00 N ATOM 1401 CA THR A 95 -13.833 0.252 -5.585 1.00 0.00 C ATOM 1402 C THR A 95 -13.106 1.156 -4.595 1.00 0.00 C ATOM 1403 O THR A 95 -13.535 2.279 -4.335 1.00 0.00 O ATOM 1404 CB THR A 95 -14.294 -1.024 -4.855 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.162 -1.722 -4.326 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.064 -1.937 -5.796 1.00 0.00 C ATOM 0 H THR A 95 -12.398 -0.890 -6.597 1.00 0.00 H new ATOM 0 HA THR A 95 -14.707 0.774 -5.976 1.00 0.00 H new ATOM 0 HB THR A 95 -14.953 -0.730 -4.038 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.908 -2.445 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.379 -2.831 -5.258 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.942 -1.413 -6.174 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.424 -2.222 -6.631 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.003 0.658 -4.046 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.234 1.435 -3.092 1.00 0.00 C ATOM 1416 C GLY A 96 -11.256 0.831 -1.701 1.00 0.00 C ATOM 1417 O GLY A 96 -11.992 -0.122 -1.442 1.00 0.00 O ATOM 0 H GLY A 96 -11.628 -0.270 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.202 1.510 -3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.630 2.450 -3.051 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.446 1.385 -0.805 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.376 0.893 0.566 1.00 0.00 C ATOM 1423 C ILE A 97 -10.732 1.991 1.563 1.00 0.00 C ATOM 1424 O ILE A 97 -10.280 3.129 1.434 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.974 0.350 0.898 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.655 -0.867 0.025 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.881 -0.010 2.373 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.173 -1.147 -0.102 1.00 0.00 C ATOM 0 H ILE A 97 -9.830 2.173 -1.003 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.100 0.082 0.648 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.240 1.127 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.148 -1.744 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.074 -0.711 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.884 -0.392 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.070 0.878 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.622 -0.774 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.021 -2.022 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.677 -0.286 -0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.752 -1.335 0.886 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.543 1.641 2.556 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.959 2.597 3.575 1.00 0.00 C ATOM 1442 C GLU A 98 -11.232 2.340 4.891 1.00 0.00 C ATOM 1443 O GLU A 98 -11.022 1.193 5.281 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.472 2.521 3.792 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.945 3.242 5.043 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.352 3.787 4.905 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.269 2.994 4.601 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.539 5.007 5.100 1.00 0.00 O ATOM 0 H GLU A 98 -11.925 0.703 2.676 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.700 3.596 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.977 2.947 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.770 1.474 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.906 2.556 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.262 4.062 5.265 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.850 3.418 5.570 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.145 3.308 6.843 1.00 0.00 C ATOM 1457 C GLU A 99 -11.061 3.681 8.005 1.00 0.00 C ATOM 1458 O GLU A 99 -11.985 4.478 7.850 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.908 4.208 6.844 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.941 3.916 5.709 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.811 4.924 5.631 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.353 5.385 6.697 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.386 5.253 4.503 1.00 0.00 O ATOM 0 H GLU A 99 -11.016 4.376 5.261 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.831 2.272 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.226 5.249 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.386 4.092 7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.524 2.918 5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.485 3.912 4.765 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.796 3.098 9.170 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.593 3.368 10.359 1.00 0.00 C ATOM 1472 C ALA A 100 -11.730 4.868 10.598 1.00 0.00 C ATOM 1473 O ALA A 100 -12.839 5.402 10.634 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.975 2.692 11.574 1.00 0.00 C ATOM 0 H ALA A 100 -10.034 2.435 9.315 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.591 2.959 10.198 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.581 2.902 12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.935 1.615 11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.966 3.073 11.728 1.00 0.00 H new ATOM 1480 N SER A 101 -10.596 5.543 10.761 1.00 0.00 N ATOM 1481 CA SER A 101 -10.590 6.981 11.002 1.00 0.00 C ATOM 1482 C SER A 101 -11.601 7.687 10.102 1.00 0.00 C ATOM 1483 O SER A 101 -12.405 8.493 10.566 1.00 0.00 O ATOM 1484 CB SER A 101 -9.191 7.553 10.763 1.00 0.00 C ATOM 1485 OG SER A 101 -8.415 7.512 11.947 1.00 0.00 O ATOM 0 H SER A 101 -9.670 5.117 10.730 1.00 0.00 H new ATOM 0 HA SER A 101 -10.873 7.152 12.041 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.692 6.986 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.270 8.582 10.412 1.00 0.00 H new ATOM 0 HG SER A 101 -7.525 7.881 11.768 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.552 7.375 8.810 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.467 7.987 7.864 1.00 0.00 C ATOM 1493 C GLY A 102 -11.785 8.386 6.571 1.00 0.00 C ATOM 1494 O GLY A 102 -12.183 9.353 5.923 1.00 0.00 O ATOM 0 H GLY A 102 -10.895 6.710 8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.276 7.291 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.919 8.868 8.319 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.751 7.639 6.194 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.011 7.920 4.970 1.00 0.00 C ATOM 1500 C ALA A 103 -10.325 6.888 3.891 1.00 0.00 C ATOM 1501 O ALA A 103 -10.678 5.748 4.192 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.517 7.952 5.252 1.00 0.00 C ATOM 0 H ALA A 103 -10.408 6.835 6.719 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.321 8.898 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.977 8.163 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.302 8.730 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.200 6.986 5.645 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.196 7.297 2.633 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.467 6.409 1.509 1.00 0.00 C ATOM 1510 C PHE A 104 -9.266 6.335 0.571 1.00 0.00 C ATOM 1511 O PHE A 104 -8.957 7.293 -0.137 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.700 6.888 0.739 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.984 6.281 1.227 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.411 5.052 0.748 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.765 6.937 2.164 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.592 4.492 1.193 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.948 6.381 2.615 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.361 5.156 2.129 1.00 0.00 C ATOM 0 H PHE A 104 -9.905 8.238 2.367 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.658 5.412 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.768 7.973 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.574 6.651 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.813 4.527 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.446 7.895 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.914 3.535 0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.548 6.903 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.284 4.718 2.480 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.590 5.190 0.574 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.423 4.990 -0.275 1.00 0.00 C ATOM 1530 C VAL A 105 -7.834 4.615 -1.695 1.00 0.00 C ATOM 1531 O VAL A 105 -8.685 3.749 -1.898 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.500 3.891 0.287 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.342 3.628 -0.662 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.993 4.279 1.668 1.00 0.00 C ATOM 0 H VAL A 105 -8.831 4.387 1.155 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.880 5.935 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.075 2.970 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.702 2.849 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.730 3.304 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.763 4.542 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.343 3.493 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.434 5.212 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.839 4.411 2.342 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.223 5.271 -2.674 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.526 5.009 -4.076 1.00 0.00 C ATOM 1546 C TYR A 106 -6.287 4.519 -4.819 1.00 0.00 C ATOM 1547 O TYR A 106 -5.221 5.134 -4.747 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.072 6.271 -4.747 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.328 6.806 -4.099 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.285 5.944 -3.578 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.560 8.173 -4.010 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.436 6.428 -2.986 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.707 8.666 -3.418 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.642 7.789 -2.908 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.787 8.276 -2.320 1.00 0.00 O ATOM 0 H TYR A 106 -6.514 5.989 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.285 4.227 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.304 7.045 -4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.278 6.055 -5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.127 4.877 -3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.831 8.862 -4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.170 5.744 -2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.871 9.732 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.777 9.256 -2.346 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.434 3.409 -5.534 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.328 2.835 -6.293 1.00 0.00 C ATOM 1567 C LEU A 107 -5.538 3.029 -7.791 1.00 0.00 C ATOM 1568 O LEU A 107 -5.970 2.112 -8.491 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.184 1.346 -5.974 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.330 0.957 -4.502 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.782 0.648 -4.174 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.440 -0.233 -4.174 1.00 0.00 C ATOM 0 H LEU A 107 -7.308 2.888 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.413 3.352 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.930 0.798 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.206 1.013 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.013 1.801 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.867 0.373 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.394 1.528 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.127 -0.179 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.557 -0.496 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.725 -1.083 -4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.399 0.026 -4.370 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.226 4.225 -8.278 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.379 4.538 -9.694 1.00 0.00 C ATOM 1586 C ARG A 108 -4.174 4.048 -10.492 1.00 0.00 C ATOM 1587 O ARG A 108 -4.326 3.398 -11.526 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.555 6.045 -9.889 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.657 6.645 -9.033 1.00 0.00 C ATOM 1590 CD ARG A 108 -7.289 7.854 -9.703 1.00 0.00 C ATOM 1591 NE ARG A 108 -8.693 8.013 -9.336 1.00 0.00 N ATOM 1592 CZ ARG A 108 -9.678 7.302 -9.875 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -9.413 6.390 -10.799 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -10.932 7.503 -9.489 1.00 0.00 N ATOM 0 H ARG A 108 -4.866 4.994 -7.713 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.268 4.025 -10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.614 6.545 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.773 6.244 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.422 5.892 -8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.249 6.936 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.738 8.752 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.207 7.753 -10.785 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.931 8.707 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.451 6.232 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.171 5.846 -11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.141 8.204 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.687 6.957 -9.904 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.979 4.366 -10.005 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.749 3.959 -10.674 1.00 0.00 C ATOM 1610 C GLN A 109 -0.767 3.346 -9.682 1.00 0.00 C ATOM 1611 O GLN A 109 -0.609 3.817 -8.555 1.00 0.00 O ATOM 1612 CB GLN A 109 -1.105 5.156 -11.375 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.729 6.284 -10.428 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.851 7.286 -10.240 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.908 7.177 -10.862 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.627 8.271 -9.376 1.00 0.00 N ATOM 0 H GLN A 109 -2.836 4.904 -9.150 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.003 3.205 -11.419 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.211 4.821 -11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.793 5.539 -12.128 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.455 5.865 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.152 6.798 -10.813 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.736 8.323 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.346 8.975 -9.207 1.00 0.00 H new ATOM 1625 N PRO A 110 -0.090 2.269 -10.107 1.00 0.00 N ATOM 1626 CA PRO A 110 0.889 1.568 -9.271 1.00 0.00 C ATOM 1627 C PRO A 110 2.151 2.392 -9.041 1.00 0.00 C ATOM 1628 O PRO A 110 2.165 3.602 -9.270 1.00 0.00 O ATOM 1629 CB PRO A 110 1.212 0.310 -10.080 1.00 0.00 C ATOM 1630 CG PRO A 110 0.921 0.684 -11.493 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.228 1.652 -11.437 1.00 0.00 C ATOM 0 HA PRO A 110 0.499 1.361 -8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.254 0.015 -9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.601 -0.534 -9.760 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.792 1.139 -11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.663 -0.195 -12.084 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.167 2.394 -12.233 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.186 1.145 -11.547 1.00 0.00 H new ATOM 1639 N TYR A 111 3.211 1.730 -8.588 1.00 0.00 N ATOM 1640 CA TYR A 111 4.478 2.403 -8.326 1.00 0.00 C ATOM 1641 C TYR A 111 5.655 1.535 -8.760 1.00 0.00 C ATOM 1642 O TYR A 111 5.953 0.516 -8.136 1.00 0.00 O ATOM 1643 CB TYR A 111 4.600 2.744 -6.841 1.00 0.00 C ATOM 1644 CG TYR A 111 5.912 3.403 -6.477 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.193 4.703 -6.878 1.00 0.00 C ATOM 1646 CD2 TYR A 111 6.870 2.726 -5.733 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.389 5.310 -6.549 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.069 3.324 -5.398 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.324 4.616 -5.809 1.00 0.00 C ATOM 1650 OH TYR A 111 9.518 5.216 -5.478 1.00 0.00 O ATOM 0 H TYR A 111 3.218 0.728 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 111 4.498 3.326 -8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.780 3.406 -6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.487 1.831 -6.257 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.463 5.249 -7.457 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.674 1.714 -5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.591 6.322 -6.869 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.802 2.784 -4.818 1.00 0.00 H new ATOM 0 HH TYR A 111 9.347 6.121 -5.142 1.00 0.00 H new ATOM 1660 N TYR A 112 6.320 1.946 -9.833 1.00 0.00 N ATOM 1661 CA TYR A 112 7.465 1.206 -10.352 1.00 0.00 C ATOM 1662 C TYR A 112 8.775 1.881 -9.958 1.00 0.00 C ATOM 1663 O TYR A 112 8.970 3.072 -10.199 1.00 0.00 O ATOM 1664 CB TYR A 112 7.376 1.091 -11.876 1.00 0.00 C ATOM 1665 CG TYR A 112 6.377 0.059 -12.348 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.082 0.036 -11.848 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.731 -0.895 -13.295 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.166 -0.905 -12.276 1.00 0.00 C ATOM 1669 CE2 TYR A 112 5.822 -1.840 -13.730 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.541 -1.842 -13.217 1.00 0.00 C ATOM 1671 OH TYR A 112 3.632 -2.781 -13.647 1.00 0.00 O ATOM 0 H TYR A 112 6.087 2.787 -10.361 1.00 0.00 H new ATOM 0 HA TYR A 112 7.447 0.207 -9.916 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.105 2.062 -12.290 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.360 0.839 -12.271 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.785 0.767 -11.111 1.00 0.00 H new ATOM 0 HD2 TYR A 112 7.733 -0.897 -13.697 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.163 -0.907 -11.877 1.00 0.00 H new ATOM 0 HE2 TYR A 112 6.112 -2.573 -14.468 1.00 0.00 H new ATOM 0 HH TYR A 112 3.963 -3.205 -14.466 1.00 0.00 H new ATOM 1869 N SER B 9 -2.367 1.969 9.357 1.00 0.00 N ATOM 1870 CA SER B 9 -3.790 2.288 9.310 1.00 0.00 C ATOM 1871 C SER B 9 -4.632 1.016 9.336 1.00 0.00 C ATOM 1872 O SER B 9 -4.131 -0.080 9.082 1.00 0.00 O ATOM 1873 CB SER B 9 -4.110 3.100 8.055 1.00 0.00 C ATOM 1874 OG SER B 9 -3.555 4.401 8.134 1.00 0.00 O ATOM 0 HA SER B 9 -4.034 2.883 10.190 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.718 2.587 7.177 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.190 3.169 7.929 1.00 0.00 H new ATOM 0 HG SER B 9 -2.751 4.380 8.693 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.915 1.170 9.644 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.829 0.036 9.703 1.00 0.00 C ATOM 1882 C ASP B 10 -8.035 0.263 8.796 1.00 0.00 C ATOM 1883 O ASP B 10 -8.099 1.253 8.066 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.294 -0.198 11.140 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.403 -1.173 11.886 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.325 -0.752 12.355 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.784 -2.357 12.000 1.00 0.00 O ATOM 0 H ASP B 10 -6.346 2.070 9.857 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.295 -0.848 9.354 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.312 0.753 11.672 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.316 -0.578 11.131 1.00 0.00 H new ATOM 1892 N LEU B 11 -8.988 -0.663 8.845 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.192 -0.565 8.027 1.00 0.00 C ATOM 1894 C LEU B 11 -11.428 -0.372 8.899 1.00 0.00 C ATOM 1895 O LEU B 11 -11.361 -0.485 10.122 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.350 -1.819 7.166 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.245 -2.073 6.140 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -9.557 -3.315 5.318 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.068 -0.862 5.236 1.00 0.00 C ATOM 0 H LEU B 11 -8.950 -1.489 9.442 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.091 0.304 7.376 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.410 -2.684 7.827 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.301 -1.755 6.637 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.310 -2.241 6.674 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -8.760 -3.481 4.593 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -9.632 -4.179 5.978 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.502 -3.176 4.793 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.278 -1.061 4.512 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.001 -0.662 4.709 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.799 0.005 5.838 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.557 -0.082 8.260 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.810 0.124 8.978 1.00 0.00 C ATOM 1913 C ASN B 12 -14.507 -1.206 9.248 1.00 0.00 C ATOM 1914 O ASN B 12 -15.252 -1.343 10.220 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.735 1.043 8.178 1.00 0.00 C ATOM 1916 CG ASN B 12 -16.201 0.727 8.403 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.624 -0.455 7.970 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -16.944 1.536 8.958 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.630 0.016 7.247 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.579 0.594 9.934 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.543 2.079 8.457 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.505 0.950 7.117 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.576 2.433 9.275 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.928 1.310 9.101 1.00 0.00 H new