USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=25 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 30 THR OG1 : rot 66:sc= 0.824 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.651 K(o=0.17,f=-2.5!) USER MOD Set 2.1: A 46 SER OG : rot 180:sc= -0.136 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -4.18! K(o=-4.3!,f=-3.8) USER MOD Single : A 9 TYR OH : rot -6:sc= 0.87 USER MOD Single : A 10 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-2.7) USER MOD Single : A 12 HIS : no HD1:sc= -1.97 K(o=-2,f=-3.6!) USER MOD Single : A 13 MET CE :methyl -179:sc= 0 (180deg=-0.000415) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.08 K(o=-0.08,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 71:sc= 0.0315 USER MOD Single : A 23 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -44:sc= -0.349 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 73:sc= 1.17 USER MOD Single : A 63 THR OG1 : rot -140:sc= 0.475 USER MOD Single : A 66 LYS NZ :NH3+ 138:sc= -0.494 (180deg=-1.95!) USER MOD Single : A 68 MET CE :methyl -162:sc= -2.26! (180deg=-2.68!) USER MOD Single : A 69 CYS SG : rot 39:sc= 0.449 USER MOD Single : A 74 TYR OH : rot -28:sc= 0.509 USER MOD Single : A 75 THR OG1 : rot -159:sc= 0.824 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 33:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.42) 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 -91:sc= 0.906 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 111 TYR OH : rot 69:sc= -0.375 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.229 USER MOD Single : B 9 SER OG : rot -144:sc= 0.0111 USER MOD Single : B 12 ASN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.328 -5.514 -12.740 1.00 0.00 N ATOM 60 CA GLY A 7 4.100 -5.135 -12.068 1.00 0.00 C ATOM 61 C GLY A 7 4.335 -4.142 -10.947 1.00 0.00 C ATOM 62 O GLY A 7 5.164 -3.241 -11.071 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.411 -4.703 -12.794 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.620 -6.027 -11.665 1.00 0.00 H new ATOM 66 N TRP A 8 3.604 -4.306 -9.850 1.00 0.00 N ATOM 67 CA TRP A 8 3.737 -3.416 -8.703 1.00 0.00 C ATOM 68 C TRP A 8 4.274 -4.167 -7.490 1.00 0.00 C ATOM 69 O TRP A 8 4.012 -3.788 -6.347 1.00 0.00 O ATOM 70 CB TRP A 8 2.387 -2.779 -8.367 1.00 0.00 C ATOM 71 CG TRP A 8 1.217 -3.644 -8.725 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.218 -3.348 -9.608 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.923 -4.945 -8.204 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.679 -4.387 -9.669 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.270 -5.379 -8.817 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.551 -5.786 -7.282 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.843 -6.616 -8.536 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.979 -7.013 -7.003 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.207 -7.419 -7.628 1.00 0.00 C ATOM 0 H TRP A 8 2.913 -5.047 -9.731 1.00 0.00 H new ATOM 0 HA TRP A 8 4.447 -2.631 -8.964 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.353 -2.558 -7.300 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.301 -1.828 -8.893 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.144 -2.432 -10.175 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.514 -4.415 -10.254 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.467 -5.483 -6.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.757 -6.931 -9.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.455 -7.670 -6.290 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.628 -8.384 -7.389 1.00 0.00 H new ATOM 90 N TYR A 9 5.024 -5.232 -7.744 1.00 0.00 N ATOM 91 CA TYR A 9 5.596 -6.038 -6.671 1.00 0.00 C ATOM 92 C TYR A 9 7.099 -5.803 -6.555 1.00 0.00 C ATOM 93 O TYR A 9 7.888 -6.373 -7.310 1.00 0.00 O ATOM 94 CB TYR A 9 5.318 -7.523 -6.916 1.00 0.00 C ATOM 95 CG TYR A 9 5.284 -8.349 -5.651 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.116 -8.464 -4.905 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.417 -9.013 -5.199 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.080 -9.217 -3.747 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.389 -9.770 -4.044 1.00 0.00 C ATOM 100 CZ TYR A 9 5.218 -9.869 -3.321 1.00 0.00 C ATOM 101 OH TYR A 9 5.187 -10.620 -2.168 1.00 0.00 O ATOM 0 H TYR A 9 5.251 -5.558 -8.683 1.00 0.00 H new ATOM 0 HA TYR A 9 5.126 -5.737 -5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.363 -7.625 -7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.084 -7.923 -7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.222 -7.956 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.336 -8.936 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.165 -9.295 -3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.279 -10.282 -3.709 1.00 0.00 H new ATOM 0 HH TYR A 9 4.319 -10.507 -1.727 1.00 0.00 H new ATOM 111 N HIS A 10 7.487 -4.960 -5.604 1.00 0.00 N ATOM 112 CA HIS A 10 8.895 -4.649 -5.387 1.00 0.00 C ATOM 113 C HIS A 10 9.624 -5.836 -4.763 1.00 0.00 C ATOM 114 O HIS A 10 10.568 -6.371 -5.343 1.00 0.00 O ATOM 115 CB HIS A 10 9.036 -3.420 -4.487 1.00 0.00 C ATOM 116 CG HIS A 10 8.510 -2.162 -5.106 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.320 -1.107 -5.469 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.248 -1.793 -5.427 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.578 -0.143 -5.986 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.317 -0.535 -5.972 1.00 0.00 N ATOM 0 H HIS A 10 6.847 -4.480 -4.972 1.00 0.00 H new ATOM 0 HA HIS A 10 9.347 -4.435 -6.356 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.509 -3.603 -3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.088 -3.281 -4.238 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.353 -2.379 -5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.941 0.804 -6.357 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.523 0.009 -6.311 1.00 0.00 H new ATOM 129 N GLY A 11 9.179 -6.242 -3.578 1.00 0.00 N ATOM 130 CA GLY A 11 9.802 -7.361 -2.896 1.00 0.00 C ATOM 131 C GLY A 11 10.253 -7.007 -1.492 1.00 0.00 C ATOM 132 O GLY A 11 9.432 -6.714 -0.623 1.00 0.00 O ATOM 0 H GLY A 11 8.398 -5.816 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.098 -8.192 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.660 -7.703 -3.475 1.00 0.00 H new ATOM 136 N HIS A 12 11.563 -7.036 -1.269 1.00 0.00 N ATOM 137 CA HIS A 12 12.123 -6.716 0.040 1.00 0.00 C ATOM 138 C HIS A 12 12.113 -5.210 0.281 1.00 0.00 C ATOM 139 O HIS A 12 12.726 -4.449 -0.467 1.00 0.00 O ATOM 140 CB HIS A 12 13.550 -7.254 0.153 1.00 0.00 C ATOM 141 CG HIS A 12 14.590 -6.305 -0.356 1.00 0.00 C ATOM 142 ND1 HIS A 12 15.033 -5.216 0.366 1.00 0.00 N ATOM 143 CD2 HIS A 12 15.277 -6.286 -1.521 1.00 0.00 C ATOM 144 CE1 HIS A 12 15.945 -4.569 -0.335 1.00 0.00 C ATOM 145 NE2 HIS A 12 16.113 -5.197 -1.483 1.00 0.00 N ATOM 0 H HIS A 12 12.256 -7.278 -1.977 1.00 0.00 H new ATOM 0 HA HIS A 12 11.503 -7.192 0.800 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.761 -7.485 1.197 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.622 -8.190 -0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.185 -6.995 -2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 12 16.466 -3.676 -0.022 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.759 -4.919 -2.222 1.00 0.00 H new ATOM 154 N MET A 13 11.415 -4.787 1.329 1.00 0.00 N ATOM 155 CA MET A 13 11.327 -3.372 1.669 1.00 0.00 C ATOM 156 C MET A 13 10.604 -3.175 2.998 1.00 0.00 C ATOM 157 O MET A 13 9.735 -3.966 3.365 1.00 0.00 O ATOM 158 CB MET A 13 10.603 -2.604 0.562 1.00 0.00 C ATOM 159 CG MET A 13 10.414 -1.128 0.870 1.00 0.00 C ATOM 160 SD MET A 13 9.129 -0.366 -0.138 1.00 0.00 S ATOM 161 CE MET A 13 9.883 -0.441 -1.762 1.00 0.00 C ATOM 0 H MET A 13 10.902 -5.404 1.958 1.00 0.00 H new ATOM 0 HA MET A 13 12.341 -2.984 1.767 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.166 -2.704 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.627 -3.059 0.394 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.161 -1.010 1.924 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.356 -0.604 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.214 0.011 -2.495 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.828 0.102 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.066 -1.481 -2.031 1.00 0.00 H new ATOM 171 N SER A 14 10.968 -2.117 3.714 1.00 0.00 N ATOM 172 CA SER A 14 10.357 -1.819 5.003 1.00 0.00 C ATOM 173 C SER A 14 9.441 -0.602 4.903 1.00 0.00 C ATOM 174 O SER A 14 9.568 0.209 3.987 1.00 0.00 O ATOM 175 CB SER A 14 11.436 -1.572 6.059 1.00 0.00 C ATOM 176 OG SER A 14 11.862 -0.221 6.048 1.00 0.00 O ATOM 0 H SER A 14 11.684 -1.451 3.423 1.00 0.00 H new ATOM 0 HA SER A 14 9.758 -2.680 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.048 -1.826 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.288 -2.226 5.873 1.00 0.00 H new ATOM 0 HG SER A 14 12.550 -0.089 6.733 1.00 0.00 H new ATOM 182 N GLY A 15 8.518 -0.484 5.852 1.00 0.00 N ATOM 183 CA GLY A 15 7.594 0.635 5.853 1.00 0.00 C ATOM 184 C GLY A 15 8.297 1.967 5.681 1.00 0.00 C ATOM 185 O GLY A 15 8.040 2.693 4.722 1.00 0.00 O ATOM 0 H GLY A 15 8.393 -1.143 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.869 0.504 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.036 0.640 6.789 1.00 0.00 H new ATOM 189 N GLY A 16 9.186 2.291 6.615 1.00 0.00 N ATOM 190 CA GLY A 16 9.912 3.545 6.544 1.00 0.00 C ATOM 191 C GLY A 16 10.386 3.863 5.140 1.00 0.00 C ATOM 192 O GLY A 16 10.394 5.023 4.730 1.00 0.00 O ATOM 0 H GLY A 16 9.416 1.707 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.272 4.352 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.771 3.502 7.213 1.00 0.00 H new ATOM 196 N GLN A 17 10.781 2.831 4.403 1.00 0.00 N ATOM 197 CA GLN A 17 11.261 3.007 3.037 1.00 0.00 C ATOM 198 C GLN A 17 10.114 3.373 2.101 1.00 0.00 C ATOM 199 O GLN A 17 10.088 4.463 1.532 1.00 0.00 O ATOM 200 CB GLN A 17 11.948 1.732 2.547 1.00 0.00 C ATOM 201 CG GLN A 17 13.041 1.985 1.521 1.00 0.00 C ATOM 202 CD GLN A 17 14.357 2.387 2.157 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.599 2.116 3.334 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.217 3.036 1.381 1.00 0.00 N ATOM 0 H GLN A 17 10.778 1.864 4.728 1.00 0.00 H new ATOM 0 HA GLN A 17 11.983 3.824 3.034 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.378 1.209 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.199 1.070 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.190 1.085 0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.718 2.770 0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.975 3.240 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.119 3.331 1.755 1.00 0.00 H new ATOM 213 N ALA A 18 9.166 2.454 1.946 1.00 0.00 N ATOM 214 CA ALA A 18 8.017 2.680 1.080 1.00 0.00 C ATOM 215 C ALA A 18 7.532 4.122 1.176 1.00 0.00 C ATOM 216 O ALA A 18 7.246 4.759 0.162 1.00 0.00 O ATOM 217 CB ALA A 18 6.891 1.719 1.435 1.00 0.00 C ATOM 0 H ALA A 18 9.172 1.546 2.410 1.00 0.00 H new ATOM 0 HA ALA A 18 8.327 2.496 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.039 1.899 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.235 0.693 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.592 1.876 2.471 1.00 0.00 H new ATOM 223 N GLU A 19 7.444 4.632 2.400 1.00 0.00 N ATOM 224 CA GLU A 19 6.993 6.000 2.627 1.00 0.00 C ATOM 225 C GLU A 19 7.847 6.991 1.842 1.00 0.00 C ATOM 226 O GLU A 19 7.326 7.898 1.190 1.00 0.00 O ATOM 227 CB GLU A 19 7.044 6.337 4.119 1.00 0.00 C ATOM 228 CG GLU A 19 5.746 6.046 4.853 1.00 0.00 C ATOM 229 CD GLU A 19 5.622 6.825 6.148 1.00 0.00 C ATOM 230 OE1 GLU A 19 5.524 8.068 6.086 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.621 6.191 7.224 1.00 0.00 O ATOM 0 H GLU A 19 7.679 4.119 3.250 1.00 0.00 H new ATOM 0 HA GLU A 19 5.963 6.078 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.850 5.769 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.289 7.393 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.904 6.289 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.685 4.979 5.068 1.00 0.00 H new ATOM 238 N THR A 20 9.163 6.814 1.907 1.00 0.00 N ATOM 239 CA THR A 20 10.089 7.692 1.205 1.00 0.00 C ATOM 240 C THR A 20 9.893 7.605 -0.305 1.00 0.00 C ATOM 241 O THR A 20 9.746 8.622 -0.982 1.00 0.00 O ATOM 242 CB THR A 20 11.553 7.349 1.541 1.00 0.00 C ATOM 243 OG1 THR A 20 11.759 7.416 2.956 1.00 0.00 O ATOM 244 CG2 THR A 20 12.507 8.304 0.839 1.00 0.00 C ATOM 0 H THR A 20 9.611 6.069 2.440 1.00 0.00 H new ATOM 0 HA THR A 20 9.875 8.707 1.539 1.00 0.00 H new ATOM 0 HB THR A 20 11.755 6.336 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.297 6.668 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.535 8.042 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.368 8.230 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.303 9.325 1.162 1.00 0.00 H new ATOM 252 N LEU A 21 9.889 6.382 -0.826 1.00 0.00 N ATOM 253 CA LEU A 21 9.710 6.162 -2.257 1.00 0.00 C ATOM 254 C LEU A 21 8.390 6.755 -2.738 1.00 0.00 C ATOM 255 O LEU A 21 8.343 7.453 -3.753 1.00 0.00 O ATOM 256 CB LEU A 21 9.753 4.664 -2.571 1.00 0.00 C ATOM 257 CG LEU A 21 11.053 3.942 -2.216 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.015 3.448 -0.779 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.297 2.784 -3.174 1.00 0.00 C ATOM 0 H LEU A 21 10.008 5.529 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 21 10.524 6.662 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.934 4.178 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.566 4.531 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 21 11.877 4.649 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.949 2.937 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.887 4.296 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.182 2.757 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.226 2.281 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.470 2.077 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.370 3.164 -4.193 1.00 0.00 H new ATOM 271 N LEU A 22 7.318 6.477 -2.002 1.00 0.00 N ATOM 272 CA LEU A 22 5.998 6.987 -2.352 1.00 0.00 C ATOM 273 C LEU A 22 5.958 8.508 -2.259 1.00 0.00 C ATOM 274 O LEU A 22 5.657 9.191 -3.239 1.00 0.00 O ATOM 275 CB LEU A 22 4.936 6.381 -1.432 1.00 0.00 C ATOM 276 CG LEU A 22 4.490 4.957 -1.769 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.638 4.385 -0.646 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.727 4.933 -3.085 1.00 0.00 C ATOM 0 H LEU A 22 7.338 5.902 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 22 5.787 6.699 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.320 6.388 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.059 7.028 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 22 5.379 4.335 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.330 3.372 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.218 4.365 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.755 5.008 -0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.418 3.912 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.846 5.570 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.370 5.300 -3.885 1.00 0.00 H new ATOM 290 N GLN A 23 6.264 9.033 -1.077 1.00 0.00 N ATOM 291 CA GLN A 23 6.265 10.474 -0.858 1.00 0.00 C ATOM 292 C GLN A 23 7.135 11.181 -1.892 1.00 0.00 C ATOM 293 O GLN A 23 6.817 12.285 -2.334 1.00 0.00 O ATOM 294 CB GLN A 23 6.763 10.796 0.553 1.00 0.00 C ATOM 295 CG GLN A 23 5.756 10.471 1.643 1.00 0.00 C ATOM 296 CD GLN A 23 6.296 10.734 3.034 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.505 10.681 3.264 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.402 11.021 3.973 1.00 0.00 N ATOM 0 H GLN A 23 6.514 8.482 -0.256 1.00 0.00 H new ATOM 0 HA GLN A 23 5.242 10.834 -0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.681 10.240 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.015 11.855 0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.855 11.065 1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.465 9.424 1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.410 11.054 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.708 11.208 4.928 1.00 0.00 H new ATOM 307 N ALA A 24 8.235 10.539 -2.271 1.00 0.00 N ATOM 308 CA ALA A 24 9.150 11.106 -3.254 1.00 0.00 C ATOM 309 C ALA A 24 8.487 11.215 -4.622 1.00 0.00 C ATOM 310 O ALA A 24 8.781 12.128 -5.395 1.00 0.00 O ATOM 311 CB ALA A 24 10.415 10.265 -3.344 1.00 0.00 C ATOM 0 H ALA A 24 8.514 9.626 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 24 9.417 12.111 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.089 10.700 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.907 10.242 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.156 9.249 -3.643 1.00 0.00 H new ATOM 317 N LYS A 25 7.590 10.281 -4.917 1.00 0.00 N ATOM 318 CA LYS A 25 6.884 10.271 -6.193 1.00 0.00 C ATOM 319 C LYS A 25 5.959 11.479 -6.310 1.00 0.00 C ATOM 320 O LYS A 25 5.875 12.108 -7.364 1.00 0.00 O ATOM 321 CB LYS A 25 6.077 8.980 -6.342 1.00 0.00 C ATOM 322 CG LYS A 25 5.547 8.753 -7.748 1.00 0.00 C ATOM 323 CD LYS A 25 6.659 8.366 -8.707 1.00 0.00 C ATOM 324 CE LYS A 25 6.316 8.743 -10.140 1.00 0.00 C ATOM 325 NZ LYS A 25 6.637 10.168 -10.432 1.00 0.00 N ATOM 0 H LYS A 25 7.334 9.519 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 25 7.624 10.323 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.704 8.135 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.239 9.003 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.791 7.968 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.057 9.659 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.584 8.860 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.837 7.292 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.866 8.099 -10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.255 8.566 -10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.389 10.385 -11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.093 10.784 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.654 10.332 -10.287 1.00 0.00 H new ATOM 339 N GLY A 26 5.266 11.797 -5.221 1.00 0.00 N ATOM 340 CA GLY A 26 4.357 12.928 -5.224 1.00 0.00 C ATOM 341 C GLY A 26 3.090 12.652 -6.009 1.00 0.00 C ATOM 342 O GLY A 26 2.241 13.531 -6.156 1.00 0.00 O ATOM 0 H GLY A 26 5.318 11.291 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.096 13.183 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.862 13.795 -5.649 1.00 0.00 H new ATOM 346 N GLU A 27 2.964 11.429 -6.515 1.00 0.00 N ATOM 347 CA GLU A 27 1.792 11.043 -7.292 1.00 0.00 C ATOM 348 C GLU A 27 0.704 10.469 -6.388 1.00 0.00 C ATOM 349 O GLU A 27 0.894 9.457 -5.713 1.00 0.00 O ATOM 350 CB GLU A 27 2.177 10.016 -8.359 1.00 0.00 C ATOM 351 CG GLU A 27 2.664 10.640 -9.656 1.00 0.00 C ATOM 352 CD GLU A 27 1.530 10.973 -10.607 1.00 0.00 C ATOM 353 OE1 GLU A 27 0.852 10.032 -11.071 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.320 12.171 -10.885 1.00 0.00 O ATOM 0 H GLU A 27 3.658 10.690 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 27 1.401 11.936 -7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.958 9.367 -7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.315 9.384 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.222 11.549 -9.430 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.355 9.955 -10.147 1.00 0.00 H new ATOM 361 N PRO A 28 -0.461 11.131 -6.372 1.00 0.00 N ATOM 362 CA PRO A 28 -1.602 10.707 -5.555 1.00 0.00 C ATOM 363 C PRO A 28 -2.231 9.415 -6.064 1.00 0.00 C ATOM 364 O PRO A 28 -2.330 9.196 -7.272 1.00 0.00 O ATOM 365 CB PRO A 28 -2.588 11.871 -5.689 1.00 0.00 C ATOM 366 CG PRO A 28 -2.243 12.511 -6.989 1.00 0.00 C ATOM 367 CD PRO A 28 -0.756 12.346 -7.150 1.00 0.00 C ATOM 0 HA PRO A 28 -1.310 10.495 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.620 11.519 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.486 12.574 -4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.779 12.038 -7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.521 13.565 -6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.476 12.231 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.212 13.210 -6.768 1.00 0.00 H new ATOM 375 N TRP A 29 -2.654 8.562 -5.138 1.00 0.00 N ATOM 376 CA TRP A 29 -3.273 7.292 -5.494 1.00 0.00 C ATOM 377 C TRP A 29 -2.232 6.304 -6.010 1.00 0.00 C ATOM 378 O TRP A 29 -2.547 5.403 -6.789 1.00 0.00 O ATOM 379 CB TRP A 29 -4.356 7.508 -6.552 1.00 0.00 C ATOM 380 CG TRP A 29 -5.209 8.712 -6.291 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.579 9.667 -7.196 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.796 9.093 -5.042 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.361 10.616 -6.584 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.510 10.287 -5.263 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.790 8.539 -3.758 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.207 10.936 -4.248 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.483 9.184 -2.752 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.184 10.372 -3.001 1.00 0.00 C ATOM 0 H TRP A 29 -2.579 8.728 -4.134 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.729 6.875 -4.596 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.884 7.611 -7.529 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.992 6.624 -6.597 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.298 9.674 -8.239 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.766 11.434 -7.040 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.253 7.624 -3.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.747 11.852 -4.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.485 8.766 -1.756 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.716 10.852 -2.193 1.00 0.00 H new ATOM 399 N THR A 30 -0.990 6.477 -5.571 1.00 0.00 N ATOM 400 CA THR A 30 0.098 5.601 -5.988 1.00 0.00 C ATOM 401 C THR A 30 0.224 4.399 -5.059 1.00 0.00 C ATOM 402 O THR A 30 0.789 4.500 -3.971 1.00 0.00 O ATOM 403 CB THR A 30 1.442 6.352 -6.022 1.00 0.00 C ATOM 404 OG1 THR A 30 1.387 7.411 -6.984 1.00 0.00 O ATOM 405 CG2 THR A 30 2.583 5.405 -6.367 1.00 0.00 C ATOM 0 H THR A 30 -0.712 7.217 -4.926 1.00 0.00 H new ATOM 0 HA THR A 30 -0.143 5.256 -6.993 1.00 0.00 H new ATOM 0 HB THR A 30 1.625 6.770 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.739 8.085 -6.692 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.522 5.958 -6.385 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.641 4.616 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.404 4.962 -7.347 1.00 0.00 H new ATOM 413 N PHE A 31 -0.307 3.261 -5.496 1.00 0.00 N ATOM 414 CA PHE A 31 -0.254 2.039 -4.702 1.00 0.00 C ATOM 415 C PHE A 31 0.962 1.198 -5.080 1.00 0.00 C ATOM 416 O PHE A 31 1.449 1.261 -6.210 1.00 0.00 O ATOM 417 CB PHE A 31 -1.533 1.223 -4.898 1.00 0.00 C ATOM 418 CG PHE A 31 -1.568 0.464 -6.193 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.906 1.102 -7.377 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.264 -0.887 -6.229 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.938 0.407 -8.571 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.295 -1.587 -7.419 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.634 -0.940 -8.592 1.00 0.00 C ATOM 0 H PHE A 31 -0.778 3.160 -6.395 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.168 2.320 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.636 0.520 -4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.392 1.893 -4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.147 2.155 -7.366 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.000 -1.399 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.200 0.916 -9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.054 -2.640 -7.433 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.661 -1.486 -9.523 1.00 0.00 H new ATOM 433 N LEU A 32 1.448 0.410 -4.127 1.00 0.00 N ATOM 434 CA LEU A 32 2.607 -0.445 -4.358 1.00 0.00 C ATOM 435 C LEU A 32 2.615 -1.625 -3.392 1.00 0.00 C ATOM 436 O LEU A 32 2.383 -1.462 -2.194 1.00 0.00 O ATOM 437 CB LEU A 32 3.898 0.362 -4.206 1.00 0.00 C ATOM 438 CG LEU A 32 4.470 0.453 -2.791 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.332 -0.762 -2.484 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.273 1.735 -2.621 1.00 0.00 C ATOM 0 H LEU A 32 1.057 0.346 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 32 2.545 -0.833 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.656 -0.077 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.715 1.374 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 32 3.640 0.472 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.730 -0.679 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.728 -1.666 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.156 -0.813 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.672 1.783 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.095 1.747 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.627 2.595 -2.797 1.00 0.00 H new ATOM 452 N VAL A 33 2.886 -2.815 -3.921 1.00 0.00 N ATOM 453 CA VAL A 33 2.928 -4.022 -3.105 1.00 0.00 C ATOM 454 C VAL A 33 4.343 -4.305 -2.613 1.00 0.00 C ATOM 455 O VAL A 33 5.315 -4.105 -3.342 1.00 0.00 O ATOM 456 CB VAL A 33 2.414 -5.246 -3.887 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.239 -6.437 -2.959 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.108 -4.914 -4.595 1.00 0.00 C ATOM 0 H VAL A 33 3.080 -2.968 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 33 2.277 -3.847 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 33 3.154 -5.511 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.875 -7.292 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.197 -6.686 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.519 -6.188 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.758 -5.789 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.359 -4.624 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.271 -4.091 -5.291 1.00 0.00 H new ATOM 468 N ARG A 34 4.450 -4.770 -1.373 1.00 0.00 N ATOM 469 CA ARG A 34 5.747 -5.080 -0.784 1.00 0.00 C ATOM 470 C ARG A 34 5.624 -6.208 0.237 1.00 0.00 C ATOM 471 O ARG A 34 4.532 -6.508 0.716 1.00 0.00 O ATOM 472 CB ARG A 34 6.338 -3.836 -0.117 1.00 0.00 C ATOM 473 CG ARG A 34 5.642 -3.450 1.178 1.00 0.00 C ATOM 474 CD ARG A 34 6.270 -2.213 1.801 1.00 0.00 C ATOM 475 NE ARG A 34 6.116 -2.194 3.253 1.00 0.00 N ATOM 476 CZ ARG A 34 5.021 -1.765 3.870 1.00 0.00 C ATOM 477 NH1 ARG A 34 3.990 -1.321 3.166 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.958 -1.778 5.196 1.00 0.00 N ATOM 0 H ARG A 34 3.655 -4.940 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 34 6.413 -5.407 -1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.395 -4.011 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.281 -2.999 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.586 -3.264 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.695 -4.280 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.330 -2.178 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.811 -1.320 1.376 1.00 0.00 H new ATOM 0 HE ARG A 34 6.892 -2.528 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.036 -1.308 2.147 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.150 -0.992 3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.751 -2.117 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.117 -1.448 5.670 1.00 0.00 H new ATOM 492 N GLU A 35 6.754 -6.828 0.565 1.00 0.00 N ATOM 493 CA GLU A 35 6.772 -7.923 1.527 1.00 0.00 C ATOM 494 C GLU A 35 7.084 -7.410 2.930 1.00 0.00 C ATOM 495 O GLU A 35 7.942 -6.546 3.109 1.00 0.00 O ATOM 496 CB GLU A 35 7.803 -8.976 1.116 1.00 0.00 C ATOM 497 CG GLU A 35 7.418 -9.751 -0.132 1.00 0.00 C ATOM 498 CD GLU A 35 8.088 -11.109 -0.206 1.00 0.00 C ATOM 499 OE1 GLU A 35 7.701 -12.004 0.574 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.999 -11.277 -1.044 1.00 0.00 O ATOM 0 H GLU A 35 7.668 -6.590 0.179 1.00 0.00 H new ATOM 0 HA GLU A 35 5.782 -8.379 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.762 -8.487 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.943 -9.676 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.336 -9.882 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.687 -9.169 -1.014 1.00 0.00 H new ATOM 507 N SER A 36 6.380 -7.949 3.921 1.00 0.00 N ATOM 508 CA SER A 36 6.578 -7.542 5.307 1.00 0.00 C ATOM 509 C SER A 36 7.805 -8.225 5.903 1.00 0.00 C ATOM 510 O SER A 36 8.202 -9.306 5.466 1.00 0.00 O ATOM 511 CB SER A 36 5.339 -7.876 6.140 1.00 0.00 C ATOM 512 OG SER A 36 5.426 -7.307 7.434 1.00 0.00 O ATOM 0 H SER A 36 5.668 -8.668 3.790 1.00 0.00 H new ATOM 0 HA SER A 36 6.739 -6.464 5.325 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.447 -7.505 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.232 -8.958 6.221 1.00 0.00 H new ATOM 0 HG SER A 36 4.621 -7.534 7.946 1.00 0.00 H new ATOM 586 N ASP A 42 3.060 -12.913 5.477 1.00 0.00 N ATOM 587 CA ASP A 42 2.002 -11.935 5.253 1.00 0.00 C ATOM 588 C ASP A 42 2.449 -10.867 4.261 1.00 0.00 C ATOM 589 O ASP A 42 3.645 -10.684 4.025 1.00 0.00 O ATOM 590 CB ASP A 42 1.594 -11.282 6.575 1.00 0.00 C ATOM 591 CG ASP A 42 0.703 -12.178 7.412 1.00 0.00 C ATOM 592 OD1 ASP A 42 1.154 -13.281 7.786 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.445 -11.775 7.694 1.00 0.00 O ATOM 0 HA ASP A 42 1.142 -12.457 4.833 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.489 -11.030 7.144 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.074 -10.347 6.370 1.00 0.00 H new ATOM 598 N PHE A 43 1.483 -10.163 3.679 1.00 0.00 N ATOM 599 CA PHE A 43 1.777 -9.114 2.711 1.00 0.00 C ATOM 600 C PHE A 43 1.281 -7.759 3.208 1.00 0.00 C ATOM 601 O PHE A 43 0.582 -7.674 4.218 1.00 0.00 O ATOM 602 CB PHE A 43 1.135 -9.442 1.362 1.00 0.00 C ATOM 603 CG PHE A 43 1.608 -10.740 0.771 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.315 -11.944 1.389 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.348 -10.754 -0.401 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.749 -13.140 0.848 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.784 -11.947 -0.945 1.00 0.00 C ATOM 608 CZ PHE A 43 2.486 -13.141 -0.320 1.00 0.00 C ATOM 0 H PHE A 43 0.489 -10.301 3.862 1.00 0.00 H new ATOM 0 HA PHE A 43 2.859 -9.061 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.053 -9.481 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.348 -8.634 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.741 -11.949 2.304 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.586 -9.823 -0.894 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.512 -14.073 1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.358 -11.945 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.828 -14.074 -0.743 1.00 0.00 H new ATOM 618 N VAL A 44 1.648 -6.702 2.491 1.00 0.00 N ATOM 619 CA VAL A 44 1.240 -5.351 2.857 1.00 0.00 C ATOM 620 C VAL A 44 1.005 -4.493 1.619 1.00 0.00 C ATOM 621 O VAL A 44 1.734 -4.596 0.632 1.00 0.00 O ATOM 622 CB VAL A 44 2.295 -4.669 3.749 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.920 -3.217 4.003 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.453 -5.426 5.059 1.00 0.00 C ATOM 0 H VAL A 44 2.227 -6.755 1.653 1.00 0.00 H new ATOM 0 HA VAL A 44 0.308 -5.442 3.414 1.00 0.00 H new ATOM 0 HB VAL A 44 3.253 -4.686 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.676 -2.751 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.862 -2.685 3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.952 -3.173 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.202 -4.931 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.500 -5.442 5.587 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.771 -6.448 4.853 1.00 0.00 H new ATOM 634 N LEU A 45 -0.017 -3.647 1.678 1.00 0.00 N ATOM 635 CA LEU A 45 -0.348 -2.769 0.561 1.00 0.00 C ATOM 636 C LEU A 45 -0.192 -1.303 0.955 1.00 0.00 C ATOM 637 O LEU A 45 -0.826 -0.833 1.901 1.00 0.00 O ATOM 638 CB LEU A 45 -1.780 -3.031 0.087 1.00 0.00 C ATOM 639 CG LEU A 45 -2.381 -1.979 -0.845 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.854 -2.156 -2.260 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.901 -2.059 -0.827 1.00 0.00 C ATOM 0 H LEU A 45 -0.631 -3.550 2.487 1.00 0.00 H new ATOM 0 HA LEU A 45 0.344 -2.983 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.802 -3.994 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.421 -3.119 0.964 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.083 -0.993 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.293 -1.398 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.769 -2.050 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.122 -3.147 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.313 -1.303 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.217 -3.048 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.263 -1.883 0.186 1.00 0.00 H new ATOM 653 N SER A 46 0.654 -0.585 0.223 1.00 0.00 N ATOM 654 CA SER A 46 0.894 0.826 0.497 1.00 0.00 C ATOM 655 C SER A 46 0.247 1.704 -0.569 1.00 0.00 C ATOM 656 O SER A 46 0.138 1.312 -1.731 1.00 0.00 O ATOM 657 CB SER A 46 2.397 1.105 0.562 1.00 0.00 C ATOM 658 OG SER A 46 2.665 2.287 1.297 1.00 0.00 O ATOM 0 H SER A 46 1.184 -0.958 -0.564 1.00 0.00 H new ATOM 0 HA SER A 46 0.445 1.066 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.907 0.261 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.796 1.202 -0.448 1.00 0.00 H new ATOM 0 HG SER A 46 3.632 2.442 1.325 1.00 0.00 H new ATOM 664 N VAL A 47 -0.180 2.897 -0.166 1.00 0.00 N ATOM 665 CA VAL A 47 -0.815 3.833 -1.086 1.00 0.00 C ATOM 666 C VAL A 47 -0.602 5.274 -0.637 1.00 0.00 C ATOM 667 O VAL A 47 -0.788 5.605 0.535 1.00 0.00 O ATOM 668 CB VAL A 47 -2.326 3.562 -1.207 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.999 4.648 -2.032 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.574 2.189 -1.813 1.00 0.00 C ATOM 0 H VAL A 47 -0.097 3.238 0.792 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.348 3.687 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.761 3.577 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.066 4.439 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.851 5.615 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.563 4.669 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.647 2.014 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.126 2.143 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.127 1.425 -1.177 1.00 0.00 H new ATOM 680 N LEU A 48 -0.214 6.129 -1.576 1.00 0.00 N ATOM 681 CA LEU A 48 0.024 7.538 -1.278 1.00 0.00 C ATOM 682 C LEU A 48 -1.243 8.360 -1.492 1.00 0.00 C ATOM 683 O LEU A 48 -1.551 8.763 -2.614 1.00 0.00 O ATOM 684 CB LEU A 48 1.154 8.081 -2.155 1.00 0.00 C ATOM 685 CG LEU A 48 1.774 9.404 -1.705 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.436 9.247 -0.345 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.781 9.898 -2.735 1.00 0.00 C ATOM 0 H LEU A 48 -0.057 5.872 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 48 0.315 7.620 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.943 7.330 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.772 8.207 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 48 0.979 10.145 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.872 10.198 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.691 8.938 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.220 8.492 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.213 10.841 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.573 9.158 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.279 10.049 -3.691 1.00 0.00 H new ATOM 699 N SER A 49 -1.970 8.608 -0.408 1.00 0.00 N ATOM 700 CA SER A 49 -3.204 9.382 -0.477 1.00 0.00 C ATOM 701 C SER A 49 -2.949 10.761 -1.079 1.00 0.00 C ATOM 702 O SER A 49 -1.848 11.302 -0.972 1.00 0.00 O ATOM 703 CB SER A 49 -3.819 9.528 0.916 1.00 0.00 C ATOM 704 OG SER A 49 -2.860 9.996 1.850 1.00 0.00 O ATOM 0 H SER A 49 -1.726 8.285 0.528 1.00 0.00 H new ATOM 0 HA SER A 49 -3.902 8.847 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.660 10.221 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.213 8.567 1.246 1.00 0.00 H new ATOM 0 HG SER A 49 -2.017 9.513 1.723 1.00 0.00 H new ATOM 710 N ASP A 50 -3.973 11.323 -1.712 1.00 0.00 N ATOM 711 CA ASP A 50 -3.861 12.638 -2.330 1.00 0.00 C ATOM 712 C ASP A 50 -3.935 13.741 -1.279 1.00 0.00 C ATOM 713 O ASP A 50 -3.882 14.927 -1.605 1.00 0.00 O ATOM 714 CB ASP A 50 -4.966 12.832 -3.370 1.00 0.00 C ATOM 715 CG ASP A 50 -5.060 14.266 -3.855 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.189 14.682 -4.647 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.004 14.972 -3.440 1.00 0.00 O ATOM 0 H ASP A 50 -4.890 10.888 -1.810 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.892 12.698 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.780 12.176 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.922 12.534 -2.940 1.00 0.00 H new ATOM 722 N GLN A 51 -4.059 13.342 -0.018 1.00 0.00 N ATOM 723 CA GLN A 51 -4.143 14.297 1.081 1.00 0.00 C ATOM 724 C GLN A 51 -2.777 14.506 1.726 1.00 0.00 C ATOM 725 O GLN A 51 -2.148 13.570 2.221 1.00 0.00 O ATOM 726 CB GLN A 51 -5.147 13.814 2.129 1.00 0.00 C ATOM 727 CG GLN A 51 -6.559 13.652 1.589 1.00 0.00 C ATOM 728 CD GLN A 51 -7.445 12.835 2.509 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.952 13.341 3.512 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.636 11.564 2.175 1.00 0.00 N ATOM 0 H GLN A 51 -4.104 12.364 0.269 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.483 15.250 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.809 12.859 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.163 14.521 2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.003 14.637 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.517 13.173 0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.197 11.186 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.222 10.966 2.758 1.00 0.00 H new ATOM 739 N PRO A 52 -2.305 15.761 1.721 1.00 0.00 N ATOM 740 CA PRO A 52 -1.009 16.122 2.303 1.00 0.00 C ATOM 741 C PRO A 52 -1.008 16.023 3.824 1.00 0.00 C ATOM 742 O PRO A 52 -2.027 16.263 4.473 1.00 0.00 O ATOM 743 CB PRO A 52 -0.814 17.575 1.861 1.00 0.00 C ATOM 744 CG PRO A 52 -2.194 18.093 1.644 1.00 0.00 C ATOM 745 CD PRO A 52 -3.002 16.926 1.149 1.00 0.00 C ATOM 0 HA PRO A 52 -0.214 15.452 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.289 18.153 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.220 17.635 0.949 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.611 18.492 2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.196 18.905 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.037 16.981 1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.025 16.886 0.060 1.00 0.00 H new ATOM 753 N LYS A 53 0.142 15.671 4.390 1.00 0.00 N ATOM 754 CA LYS A 53 0.276 15.542 5.835 1.00 0.00 C ATOM 755 C LYS A 53 -0.156 16.825 6.539 1.00 0.00 C ATOM 756 O LYS A 53 -0.887 16.787 7.527 1.00 0.00 O ATOM 757 CB LYS A 53 1.723 15.207 6.206 1.00 0.00 C ATOM 758 CG LYS A 53 2.093 13.755 5.956 1.00 0.00 C ATOM 759 CD LYS A 53 3.451 13.417 6.548 1.00 0.00 C ATOM 760 CE LYS A 53 3.328 12.939 7.987 1.00 0.00 C ATOM 761 NZ LYS A 53 3.116 11.468 8.068 1.00 0.00 N ATOM 0 H LYS A 53 0.995 15.470 3.868 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.374 14.731 6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.394 15.848 5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.882 15.438 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.334 13.105 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.104 13.561 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.929 12.644 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.095 14.296 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.231 13.206 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.497 13.453 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.037 11.183 9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.241 11.215 7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.921 10.977 7.630 1.00 0.00 H new ATOM 775 N ALA A 54 0.301 17.960 6.020 1.00 0.00 N ATOM 776 CA ALA A 54 -0.040 19.255 6.597 1.00 0.00 C ATOM 777 C ALA A 54 -0.782 20.126 5.588 1.00 0.00 C ATOM 778 O ALA A 54 -1.828 20.697 5.897 1.00 0.00 O ATOM 779 CB ALA A 54 1.214 19.963 7.085 1.00 0.00 C ATOM 0 H ALA A 54 0.908 18.009 5.202 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.701 19.084 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.944 20.928 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.704 19.354 7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.895 20.115 6.248 1.00 0.00 H new ATOM 785 N GLY A 55 -0.234 20.224 4.381 1.00 0.00 N ATOM 786 CA GLY A 55 -0.858 21.028 3.346 1.00 0.00 C ATOM 787 C GLY A 55 -0.038 21.070 2.072 1.00 0.00 C ATOM 788 O GLY A 55 0.655 20.115 1.722 1.00 0.00 O ATOM 0 H GLY A 55 0.631 19.761 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.847 20.626 3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.002 22.043 3.716 1.00 0.00 H new ATOM 792 N PRO A 56 -0.113 22.200 1.353 1.00 0.00 N ATOM 793 CA PRO A 56 0.621 22.389 0.098 1.00 0.00 C ATOM 794 C PRO A 56 2.125 22.513 0.319 1.00 0.00 C ATOM 795 O PRO A 56 2.656 23.617 0.440 1.00 0.00 O ATOM 796 CB PRO A 56 0.053 23.699 -0.452 1.00 0.00 C ATOM 797 CG PRO A 56 -0.439 24.433 0.749 1.00 0.00 C ATOM 798 CD PRO A 56 -0.918 23.380 1.710 1.00 0.00 C ATOM 0 HA PRO A 56 0.501 21.540 -0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.816 24.271 -0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.754 23.514 -1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.356 25.033 1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.246 25.117 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.756 23.678 2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.985 23.188 1.596 1.00 0.00 H new ATOM 806 N GLY A 57 2.807 21.373 0.370 1.00 0.00 N ATOM 807 CA GLY A 57 4.243 21.376 0.576 1.00 0.00 C ATOM 808 C GLY A 57 4.729 20.134 1.296 1.00 0.00 C ATOM 809 O GLY A 57 5.874 19.716 1.124 1.00 0.00 O ATOM 0 H GLY A 57 2.390 20.447 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.745 21.453 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.522 22.258 1.152 1.00 0.00 H new ATOM 813 N SER A 58 3.857 19.541 2.106 1.00 0.00 N ATOM 814 CA SER A 58 4.205 18.343 2.859 1.00 0.00 C ATOM 815 C SER A 58 4.054 17.095 1.993 1.00 0.00 C ATOM 816 O SER A 58 3.270 17.057 1.045 1.00 0.00 O ATOM 817 CB SER A 58 3.324 18.224 4.104 1.00 0.00 C ATOM 818 OG SER A 58 1.955 18.126 3.753 1.00 0.00 O ATOM 0 H SER A 58 2.904 19.872 2.257 1.00 0.00 H new ATOM 0 HA SER A 58 5.247 18.426 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.619 17.346 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.477 19.092 4.746 1.00 0.00 H new ATOM 0 HG SER A 58 1.777 17.239 3.376 1.00 0.00 H new ATOM 824 N PRO A 59 4.823 16.048 2.327 1.00 0.00 N ATOM 825 CA PRO A 59 4.794 14.778 1.595 1.00 0.00 C ATOM 826 C PRO A 59 3.492 14.015 1.810 1.00 0.00 C ATOM 827 O PRO A 59 3.180 13.601 2.927 1.00 0.00 O ATOM 828 CB PRO A 59 5.973 14.001 2.184 1.00 0.00 C ATOM 829 CG PRO A 59 6.158 14.571 3.549 1.00 0.00 C ATOM 830 CD PRO A 59 5.781 16.023 3.446 1.00 0.00 C ATOM 0 HA PRO A 59 4.861 14.927 0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.761 12.933 2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.871 14.124 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.530 14.055 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.190 14.458 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.330 16.388 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.649 16.650 3.246 1.00 0.00 H new ATOM 838 N LEU A 60 2.734 13.832 0.733 1.00 0.00 N ATOM 839 CA LEU A 60 1.465 13.117 0.805 1.00 0.00 C ATOM 840 C LEU A 60 1.525 12.000 1.842 1.00 0.00 C ATOM 841 O LEU A 60 2.573 11.386 2.046 1.00 0.00 O ATOM 842 CB LEU A 60 1.105 12.539 -0.565 1.00 0.00 C ATOM 843 CG LEU A 60 0.629 13.544 -1.614 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.362 12.846 -2.939 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.619 14.269 -1.131 1.00 0.00 C ATOM 0 H LEU A 60 2.976 14.169 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 60 0.694 13.826 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.979 12.020 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.324 11.791 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 60 1.417 14.281 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.024 13.577 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.278 12.373 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.408 12.087 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.943 14.980 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.413 13.545 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.395 14.802 -0.207 1.00 0.00 H new ATOM 857 N ARG A 61 0.396 11.742 2.493 1.00 0.00 N ATOM 858 CA ARG A 61 0.321 10.699 3.507 1.00 0.00 C ATOM 859 C ARG A 61 0.340 9.314 2.866 1.00 0.00 C ATOM 860 O ARG A 61 -0.170 9.123 1.762 1.00 0.00 O ATOM 861 CB ARG A 61 -0.946 10.865 4.349 1.00 0.00 C ATOM 862 CG ARG A 61 -0.811 10.334 5.767 1.00 0.00 C ATOM 863 CD ARG A 61 -1.703 11.097 6.734 1.00 0.00 C ATOM 864 NE ARG A 61 -2.096 10.277 7.877 1.00 0.00 N ATOM 865 CZ ARG A 61 -3.057 9.361 7.829 1.00 0.00 C ATOM 866 NH1 ARG A 61 -3.718 9.149 6.700 1.00 0.00 N ATOM 867 NH2 ARG A 61 -3.356 8.655 8.912 1.00 0.00 N ATOM 0 H ARG A 61 -0.479 12.241 2.336 1.00 0.00 H new ATOM 0 HA ARG A 61 1.194 10.794 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.209 11.922 4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.770 10.351 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.072 9.276 5.787 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.227 10.412 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.179 11.985 7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.595 11.441 6.210 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.606 10.415 8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.489 9.690 5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.455 8.445 6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.848 8.816 9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.094 7.952 8.875 1.00 0.00 H new ATOM 881 N VAL A 62 0.933 8.351 3.566 1.00 0.00 N ATOM 882 CA VAL A 62 1.018 6.984 3.065 1.00 0.00 C ATOM 883 C VAL A 62 0.171 6.037 3.906 1.00 0.00 C ATOM 884 O VAL A 62 0.415 5.860 5.100 1.00 0.00 O ATOM 885 CB VAL A 62 2.475 6.481 3.054 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.545 5.066 2.500 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.357 7.422 2.249 1.00 0.00 C ATOM 0 H VAL A 62 1.361 8.492 4.481 1.00 0.00 H new ATOM 0 HA VAL A 62 0.637 6.996 2.044 1.00 0.00 H new ATOM 0 HB VAL A 62 2.844 6.464 4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.581 4.726 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.946 4.402 3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.159 5.055 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.382 7.052 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.993 7.474 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.329 8.417 2.694 1.00 0.00 H new ATOM 897 N THR A 63 -0.828 5.428 3.276 1.00 0.00 N ATOM 898 CA THR A 63 -1.714 4.498 3.966 1.00 0.00 C ATOM 899 C THR A 63 -1.168 3.076 3.912 1.00 0.00 C ATOM 900 O THR A 63 -1.153 2.445 2.855 1.00 0.00 O ATOM 901 CB THR A 63 -3.130 4.515 3.359 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.708 5.818 3.499 1.00 0.00 O ATOM 903 CG2 THR A 63 -4.021 3.485 4.035 1.00 0.00 C ATOM 0 H THR A 63 -1.044 5.562 2.288 1.00 0.00 H new ATOM 0 HA THR A 63 -1.768 4.825 5.004 1.00 0.00 H new ATOM 0 HB THR A 63 -3.050 4.265 2.301 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.656 5.732 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.015 3.516 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.594 2.491 3.901 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.093 3.709 5.099 1.00 0.00 H new ATOM 911 N HIS A 64 -0.719 2.576 5.060 1.00 0.00 N ATOM 912 CA HIS A 64 -0.173 1.227 5.144 1.00 0.00 C ATOM 913 C HIS A 64 -1.214 0.251 5.684 1.00 0.00 C ATOM 914 O HIS A 64 -1.566 0.294 6.863 1.00 0.00 O ATOM 915 CB HIS A 64 1.069 1.211 6.036 1.00 0.00 C ATOM 916 CG HIS A 64 2.076 2.262 5.680 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.896 2.174 4.575 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.390 3.429 6.288 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.673 3.241 4.521 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.385 4.018 5.549 1.00 0.00 N ATOM 0 H HIS A 64 -0.723 3.085 5.944 1.00 0.00 H new ATOM 0 HA HIS A 64 0.107 0.912 4.139 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.763 1.349 7.073 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.541 0.231 5.971 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.902 1.405 3.904 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.941 3.824 7.188 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.417 3.443 3.765 1.00 0.00 H new ATOM 929 N ILE A 65 -1.704 -0.625 4.815 1.00 0.00 N ATOM 930 CA ILE A 65 -2.705 -1.611 5.205 1.00 0.00 C ATOM 931 C ILE A 65 -2.125 -3.020 5.187 1.00 0.00 C ATOM 932 O ILE A 65 -1.535 -3.448 4.194 1.00 0.00 O ATOM 933 CB ILE A 65 -3.934 -1.561 4.279 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.534 -0.154 4.265 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.973 -2.581 4.724 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.242 0.188 2.974 1.00 0.00 C ATOM 0 H ILE A 65 -1.424 -0.673 3.835 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.015 -1.362 6.220 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.617 -1.810 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.238 -0.060 5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.740 0.572 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.836 -2.534 4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.540 -3.581 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.287 -2.359 5.744 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.642 1.200 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.537 0.126 2.145 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.058 -0.516 2.809 1.00 0.00 H new ATOM 948 N LYS A 66 -2.297 -3.740 6.290 1.00 0.00 N ATOM 949 CA LYS A 66 -1.793 -5.104 6.401 1.00 0.00 C ATOM 950 C LYS A 66 -2.625 -6.061 5.553 1.00 0.00 C ATOM 951 O LYS A 66 -3.854 -6.015 5.573 1.00 0.00 O ATOM 952 CB LYS A 66 -1.807 -5.557 7.864 1.00 0.00 C ATOM 953 CG LYS A 66 -0.666 -4.986 8.688 1.00 0.00 C ATOM 954 CD LYS A 66 -0.894 -5.194 10.175 1.00 0.00 C ATOM 955 CE LYS A 66 -1.739 -4.078 10.771 1.00 0.00 C ATOM 956 NZ LYS A 66 -3.195 -4.321 10.578 1.00 0.00 N ATOM 0 H LYS A 66 -2.782 -3.401 7.121 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.767 -5.118 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.754 -5.264 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.760 -6.645 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.270 -5.460 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.563 -3.921 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.388 -6.152 10.338 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.066 -5.239 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.524 -3.989 11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.465 -3.129 10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.706 -4.076 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.544 -3.733 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.353 -5.324 10.355 1.00 0.00 H new ATOM 970 N VAL A 67 -1.945 -6.930 4.811 1.00 0.00 N ATOM 971 CA VAL A 67 -2.621 -7.901 3.959 1.00 0.00 C ATOM 972 C VAL A 67 -2.464 -9.315 4.505 1.00 0.00 C ATOM 973 O VAL A 67 -1.474 -9.992 4.227 1.00 0.00 O ATOM 974 CB VAL A 67 -2.080 -7.855 2.518 1.00 0.00 C ATOM 975 CG1 VAL A 67 -2.849 -8.819 1.627 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.148 -6.438 1.967 1.00 0.00 C ATOM 0 H VAL A 67 -0.927 -6.981 4.783 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.678 -7.634 3.951 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.035 -8.165 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.452 -8.772 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.743 -9.833 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.903 -8.543 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.762 -6.425 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.183 -6.097 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.548 -5.776 2.591 1.00 0.00 H new ATOM 986 N MET A 68 -3.447 -9.756 5.283 1.00 0.00 N ATOM 987 CA MET A 68 -3.418 -11.092 5.866 1.00 0.00 C ATOM 988 C MET A 68 -3.690 -12.154 4.807 1.00 0.00 C ATOM 989 O MET A 68 -4.159 -11.845 3.710 1.00 0.00 O ATOM 990 CB MET A 68 -4.449 -11.201 6.992 1.00 0.00 C ATOM 991 CG MET A 68 -4.037 -10.481 8.265 1.00 0.00 C ATOM 992 SD MET A 68 -5.446 -10.028 9.294 1.00 0.00 S ATOM 993 CE MET A 68 -6.128 -8.665 8.353 1.00 0.00 C ATOM 0 H MET A 68 -4.273 -9.208 5.524 1.00 0.00 H new ATOM 0 HA MET A 68 -2.422 -11.261 6.276 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.398 -10.793 6.645 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.618 -12.254 7.218 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.364 -11.120 8.838 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.478 -9.582 8.005 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.790 -8.078 8.990 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.318 -8.032 7.990 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.692 -9.054 7.505 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.395 -13.406 5.140 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.606 -14.514 4.216 1.00 0.00 C ATOM 1005 C CYS A 69 -4.527 -15.564 4.829 1.00 0.00 C ATOM 1006 O CYS A 69 -4.281 -16.050 5.932 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.269 -15.150 3.834 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.423 -16.654 2.842 1.00 0.00 S ATOM 0 H CYS A 69 -3.009 -13.679 6.044 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.081 -14.120 3.317 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.677 -14.421 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.717 -15.383 4.744 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.395 -16.514 1.990 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.588 -15.908 4.106 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.547 -16.899 4.581 1.00 0.00 C ATOM 1016 C GLU A 70 -6.793 -17.969 3.520 1.00 0.00 C ATOM 1017 O GLU A 70 -7.266 -17.675 2.423 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.867 -16.225 4.956 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.703 -15.049 5.905 1.00 0.00 C ATOM 1020 CD GLU A 70 -7.407 -15.484 7.327 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -7.704 -16.650 7.664 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -6.878 -14.661 8.102 1.00 0.00 O ATOM 0 H GLU A 70 -5.805 -15.516 3.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.128 -17.378 5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.361 -15.881 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.524 -16.963 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.895 -14.410 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.613 -14.449 5.895 1.00 0.00 H new ATOM 1029 N GLY A 71 -6.466 -19.214 3.856 1.00 0.00 N ATOM 1030 CA GLY A 71 -6.657 -20.309 2.923 1.00 0.00 C ATOM 1031 C GLY A 71 -5.843 -20.139 1.656 1.00 0.00 C ATOM 1032 O GLY A 71 -6.224 -20.632 0.595 1.00 0.00 O ATOM 0 H GLY A 71 -6.072 -19.483 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.380 -21.246 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.714 -20.383 2.665 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.718 -19.439 1.766 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.866 -19.219 0.612 1.00 0.00 C ATOM 1038 C GLY A 72 -4.165 -17.905 -0.086 1.00 0.00 C ATOM 1039 O GLY A 72 -3.336 -17.392 -0.836 1.00 0.00 O ATOM 0 H GLY A 72 -4.382 -19.021 2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.822 -19.231 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.995 -20.040 -0.094 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.352 -17.363 0.163 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.759 -16.103 -0.449 1.00 0.00 C ATOM 1045 C ARG A 73 -5.331 -14.918 0.411 1.00 0.00 C ATOM 1046 O ARG A 73 -4.699 -15.090 1.453 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.274 -16.077 -0.656 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.780 -17.158 -1.597 1.00 0.00 C ATOM 1049 CD ARG A 73 -8.130 -18.433 -0.845 1.00 0.00 C ATOM 1050 NE ARG A 73 -8.501 -19.517 -1.749 1.00 0.00 N ATOM 1051 CZ ARG A 73 -7.620 -20.320 -2.336 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -6.323 -20.162 -2.113 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -8.037 -21.285 -3.146 1.00 0.00 N ATOM 0 H ARG A 73 -6.049 -17.776 0.783 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.266 -16.023 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.766 -16.189 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.562 -15.102 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.659 -16.796 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.019 -17.374 -2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.278 -18.742 -0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.954 -18.235 -0.159 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.492 -19.666 -1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.999 -19.423 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.649 -20.780 -2.565 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.034 -21.411 -3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.360 -21.901 -3.596 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.679 -13.715 -0.033 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.329 -12.501 0.694 1.00 0.00 C ATOM 1069 C TYR A 74 -6.580 -11.720 1.085 1.00 0.00 C ATOM 1070 O TYR A 74 -7.558 -11.677 0.339 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.409 -11.621 -0.153 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.114 -12.297 -0.544 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.292 -12.874 0.415 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.714 -12.360 -1.873 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.108 -13.492 0.064 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.532 -12.978 -2.234 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.733 -13.543 -1.262 1.00 0.00 C ATOM 1078 OH TYR A 74 0.446 -14.158 -1.619 1.00 0.00 O ATOM 0 H TYR A 74 -6.203 -13.555 -0.893 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.805 -12.792 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.939 -11.320 -1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.181 -10.710 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.584 -12.839 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.337 -11.919 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.479 -13.933 0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.235 -13.018 -3.272 1.00 0.00 H new ATOM 0 HH TYR A 74 1.082 -14.102 -0.876 1.00 0.00 H new ATOM 1088 N THR A 75 -6.541 -11.102 2.261 1.00 0.00 N ATOM 1089 CA THR A 75 -7.669 -10.323 2.754 1.00 0.00 C ATOM 1090 C THR A 75 -7.196 -9.083 3.503 1.00 0.00 C ATOM 1091 O THR A 75 -6.009 -8.936 3.795 1.00 0.00 O ATOM 1092 CB THR A 75 -8.567 -11.161 3.685 1.00 0.00 C ATOM 1093 OG1 THR A 75 -9.709 -10.395 4.083 1.00 0.00 O ATOM 1094 CG2 THR A 75 -7.796 -11.610 4.918 1.00 0.00 C ATOM 0 H THR A 75 -5.739 -11.126 2.890 1.00 0.00 H new ATOM 0 HA THR A 75 -8.247 -10.018 1.882 1.00 0.00 H new ATOM 0 HB THR A 75 -8.896 -12.045 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.084 -10.771 4.907 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.449 -12.200 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.943 -12.216 4.613 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.442 -10.736 5.464 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.132 -8.192 3.813 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.811 -6.963 4.530 1.00 0.00 C ATOM 1104 C VAL A 76 -8.810 -6.704 5.652 1.00 0.00 C ATOM 1105 O VAL A 76 -9.821 -6.032 5.454 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.792 -5.749 3.584 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.561 -5.785 2.692 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.064 -5.705 2.749 1.00 0.00 C ATOM 0 H VAL A 76 -9.119 -8.298 3.579 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.817 -7.097 4.956 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.747 -4.842 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.566 -4.919 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.663 -5.765 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.571 -6.697 2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.034 -4.841 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.141 -6.616 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.929 -5.627 3.408 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.520 -7.243 6.833 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.402 -7.059 7.969 1.00 0.00 C ATOM 1120 C GLY A 77 -10.832 -7.458 7.664 1.00 0.00 C ATOM 1121 O GLY A 77 -11.762 -7.038 8.351 1.00 0.00 O ATOM 0 H GLY A 77 -7.689 -7.804 7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.035 -7.649 8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.378 -6.014 8.278 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.009 -8.271 6.627 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.339 -8.713 6.249 1.00 0.00 C ATOM 1127 C GLY A 78 -12.408 -10.208 6.007 1.00 0.00 C ATOM 1128 O GLY A 78 -11.379 -10.870 5.873 1.00 0.00 O ATOM 0 H GLY A 78 -10.255 -8.631 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.045 -8.443 7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.650 -8.187 5.346 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.624 -10.741 5.952 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.822 -12.168 5.726 1.00 0.00 C ATOM 1134 C LEU A 79 -13.604 -12.522 4.258 1.00 0.00 C ATOM 1135 O LEU A 79 -13.436 -13.691 3.911 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.231 -12.581 6.157 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.430 -12.823 7.654 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.901 -12.715 8.022 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.878 -14.184 8.053 1.00 0.00 C ATOM 0 H LEU A 79 -14.486 -10.207 6.061 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.091 -12.711 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.929 -11.806 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.501 -13.492 5.623 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.882 -12.056 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.022 -12.890 9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.266 -11.718 7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.471 -13.459 7.465 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -15.028 -14.339 9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -15.397 -14.964 7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.812 -14.225 7.827 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.606 -11.506 3.402 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.407 -11.711 1.973 1.00 0.00 C ATOM 1153 C GLU A 80 -11.985 -12.184 1.684 1.00 0.00 C ATOM 1154 O GLU A 80 -11.116 -12.146 2.556 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.692 -10.419 1.205 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.150 -10.256 0.807 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.571 -8.802 0.717 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.907 -8.037 -0.014 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.563 -8.429 1.377 1.00 0.00 O ATOM 0 H GLU A 80 -13.743 -10.532 3.673 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.103 -12.482 1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.394 -9.569 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.074 -10.396 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.316 -10.739 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.781 -10.769 1.533 1.00 0.00 H new ATOM 1166 N THR A 81 -11.754 -12.629 0.453 1.00 0.00 N ATOM 1167 CA THR A 81 -10.439 -13.111 0.048 1.00 0.00 C ATOM 1168 C THR A 81 -10.214 -12.905 -1.445 1.00 0.00 C ATOM 1169 O THR A 81 -11.166 -12.776 -2.215 1.00 0.00 O ATOM 1170 CB THR A 81 -10.260 -14.604 0.383 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.207 -15.387 -0.353 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.441 -14.849 1.873 1.00 0.00 C ATOM 0 H THR A 81 -12.461 -12.666 -0.281 1.00 0.00 H new ATOM 0 HA THR A 81 -9.704 -12.531 0.606 1.00 0.00 H new ATOM 0 HB THR A 81 -9.249 -14.899 0.103 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.086 -16.335 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.310 -15.910 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.701 -14.273 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.442 -14.539 2.174 1.00 0.00 H new ATOM 1180 N PHE A 82 -8.949 -12.877 -1.850 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.598 -12.687 -3.252 1.00 0.00 C ATOM 1182 C PHE A 82 -7.510 -13.668 -3.679 1.00 0.00 C ATOM 1183 O PHE A 82 -6.497 -13.823 -2.997 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.128 -11.251 -3.493 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.120 -10.214 -3.050 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.147 -9.780 -1.735 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.024 -9.671 -3.950 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.059 -8.826 -1.324 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -10.937 -8.717 -3.545 1.00 0.00 C ATOM 1190 CZ PHE A 82 -10.954 -8.293 -2.231 1.00 0.00 C ATOM 0 H PHE A 82 -8.149 -12.984 -1.226 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.489 -12.876 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.188 -11.092 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.924 -11.117 -4.555 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.447 -10.192 -1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.014 -9.998 -4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.072 -8.498 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.637 -8.303 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.666 -7.546 -1.913 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.729 -14.329 -4.811 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.767 -15.296 -5.329 1.00 0.00 C ATOM 1202 C ASP A 83 -5.339 -14.864 -5.013 1.00 0.00 C ATOM 1203 O ASP A 83 -4.509 -15.679 -4.609 1.00 0.00 O ATOM 1204 CB ASP A 83 -6.941 -15.459 -6.840 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.316 -15.979 -7.212 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -9.279 -15.694 -6.470 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.429 -16.673 -8.244 1.00 0.00 O ATOM 0 H ASP A 83 -8.563 -14.213 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.953 -16.254 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.775 -14.498 -7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.182 -16.144 -7.218 1.00 0.00 H new ATOM 1212 N SER A 84 -5.058 -13.579 -5.201 1.00 0.00 N ATOM 1213 CA SER A 84 -3.728 -13.040 -4.941 1.00 0.00 C ATOM 1214 C SER A 84 -3.756 -11.514 -4.916 1.00 0.00 C ATOM 1215 O SER A 84 -4.794 -10.897 -5.156 1.00 0.00 O ATOM 1216 CB SER A 84 -2.741 -13.527 -6.003 1.00 0.00 C ATOM 1217 OG SER A 84 -2.194 -14.787 -5.652 1.00 0.00 O ATOM 0 H SER A 84 -5.734 -12.891 -5.533 1.00 0.00 H new ATOM 0 HA SER A 84 -3.403 -13.396 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.246 -13.602 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.939 -12.798 -6.120 1.00 0.00 H new ATOM 0 HG SER A 84 -2.865 -15.312 -5.168 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.607 -10.915 -4.625 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.496 -9.461 -4.568 1.00 0.00 C ATOM 1225 C LEU A 85 -3.191 -8.815 -5.763 1.00 0.00 C ATOM 1226 O LEU A 85 -3.687 -7.692 -5.674 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.026 -9.042 -4.530 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.396 -8.924 -3.141 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.160 -7.920 -2.293 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.357 -10.283 -2.458 1.00 0.00 C ATOM 0 H LEU A 85 -1.739 -11.413 -4.425 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.987 -9.119 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.449 -9.763 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.930 -8.080 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 85 0.628 -8.567 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.698 -7.849 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.137 -6.943 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.194 -8.247 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.094 -10.181 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.372 -10.668 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.235 -10.975 -3.058 1.00 0.00 H new ATOM 1242 N THR A 86 -3.223 -9.533 -6.881 1.00 0.00 N ATOM 1243 CA THR A 86 -3.857 -9.032 -8.094 1.00 0.00 C ATOM 1244 C THR A 86 -5.365 -8.907 -7.915 1.00 0.00 C ATOM 1245 O THR A 86 -5.934 -7.828 -8.088 1.00 0.00 O ATOM 1246 CB THR A 86 -3.569 -9.948 -9.299 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.156 -10.055 -9.506 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.232 -9.410 -10.558 1.00 0.00 C ATOM 0 H THR A 86 -2.817 -10.464 -6.972 1.00 0.00 H new ATOM 0 HA THR A 86 -3.434 -8.046 -8.287 1.00 0.00 H new ATOM 0 HB THR A 86 -3.980 -10.934 -9.084 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.981 -10.640 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.015 -10.073 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.310 -9.357 -10.407 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.847 -8.414 -10.775 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.009 -10.015 -7.566 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.453 -10.029 -7.361 1.00 0.00 C ATOM 1258 C ASP A 87 -7.854 -9.058 -6.255 1.00 0.00 C ATOM 1259 O ASP A 87 -8.957 -8.510 -6.266 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.927 -11.441 -7.013 1.00 0.00 C ATOM 1261 CG ASP A 87 -8.283 -12.251 -8.244 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -7.356 -12.693 -8.955 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.491 -12.445 -8.497 1.00 0.00 O ATOM 0 H ASP A 87 -5.554 -10.916 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.930 -9.713 -8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.145 -11.957 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.796 -11.378 -6.359 1.00 0.00 H new ATOM 1268 N LEU A 88 -6.953 -8.851 -5.301 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.212 -7.947 -4.187 1.00 0.00 C ATOM 1270 C LEU A 88 -7.066 -6.492 -4.620 1.00 0.00 C ATOM 1271 O LEU A 88 -8.034 -5.732 -4.620 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.258 -8.244 -3.029 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.590 -7.574 -1.696 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.109 -8.429 -0.534 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.973 -6.184 -1.629 1.00 0.00 C ATOM 0 H LEU A 88 -6.036 -9.297 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.238 -8.107 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.232 -9.323 -2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.254 -7.940 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.673 -7.473 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.354 -7.936 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.598 -9.402 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.029 -8.563 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.220 -5.722 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.890 -6.262 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.367 -5.572 -2.440 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.848 -6.110 -4.992 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.575 -4.747 -5.432 1.00 0.00 C ATOM 1289 C VAL A 89 -6.525 -4.329 -6.547 1.00 0.00 C ATOM 1290 O VAL A 89 -7.249 -3.341 -6.420 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.124 -4.597 -5.926 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.871 -3.181 -6.419 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.144 -4.969 -4.822 1.00 0.00 C ATOM 0 H VAL A 89 -5.035 -6.726 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.726 -4.099 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.971 -5.280 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.841 -3.094 -6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.549 -2.956 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.041 -2.476 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.124 -4.857 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.296 -4.313 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.310 -6.003 -4.521 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.519 -5.086 -7.639 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.382 -4.793 -8.777 1.00 0.00 C ATOM 1305 C GLU A 90 -8.799 -4.462 -8.315 1.00 0.00 C ATOM 1306 O GLU A 90 -9.321 -3.384 -8.601 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.412 -5.979 -9.742 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.124 -6.158 -10.529 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.337 -6.902 -11.833 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.602 -8.121 -11.782 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.235 -6.267 -12.903 1.00 0.00 O ATOM 0 H GLU A 90 -5.926 -5.907 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.975 -3.924 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.613 -6.890 -9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.239 -5.848 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.692 -5.180 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.402 -6.701 -9.919 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.415 -5.398 -7.599 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.771 -5.207 -7.098 1.00 0.00 C ATOM 1320 C HIS A 91 -10.874 -3.916 -6.291 1.00 0.00 C ATOM 1321 O HIS A 91 -11.961 -3.361 -6.126 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.190 -6.396 -6.233 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.408 -6.135 -5.404 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.666 -6.578 -5.753 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -12.557 -5.471 -4.233 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.536 -6.197 -4.835 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -13.889 -5.524 -3.901 1.00 0.00 N ATOM 0 H HIS A 91 -8.997 -6.295 -7.353 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.442 -5.136 -7.954 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.377 -7.255 -6.877 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.364 -6.665 -5.575 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.774 -4.989 -3.666 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.596 -6.401 -4.846 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.310 -5.111 -3.069 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.738 -3.443 -5.790 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.702 -2.219 -5.000 1.00 0.00 C ATOM 1338 C PHE A 92 -9.394 -1.011 -5.882 1.00 0.00 C ATOM 1339 O PHE A 92 -9.687 0.128 -5.519 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.655 -2.334 -3.890 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.209 -2.853 -2.595 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.366 -2.313 -2.055 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.575 -3.882 -1.918 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.878 -2.789 -0.863 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.083 -4.363 -0.725 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.235 -3.816 -0.198 1.00 0.00 C ATOM 0 H PHE A 92 -8.830 -3.889 -5.917 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.685 -2.077 -4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.854 -2.994 -4.224 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.210 -1.354 -3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.873 -1.511 -2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.673 -4.314 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.779 -2.359 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.579 -5.165 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.634 -4.190 0.733 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.802 -1.269 -7.042 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.454 -0.207 -7.978 1.00 0.00 C ATOM 1358 C LYS A 93 -9.704 0.366 -8.640 1.00 0.00 C ATOM 1359 O LYS A 93 -9.665 1.440 -9.241 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.493 -0.733 -9.047 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.200 -1.290 -8.479 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.053 -1.151 -9.467 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.085 -2.252 -10.515 1.00 0.00 C ATOM 1364 NZ LYS A 93 -3.994 -2.096 -11.518 1.00 0.00 N ATOM 0 H LYS A 93 -8.553 -2.206 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.963 0.589 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.993 -1.512 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.258 0.074 -9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.952 -0.767 -7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.336 -2.341 -8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.109 -0.179 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.104 -1.184 -8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.993 -3.222 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.049 -2.242 -11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.050 -2.866 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.097 -1.182 -12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.073 -2.131 -11.037 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.813 -0.358 -8.526 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.075 0.078 -9.111 1.00 0.00 C ATOM 1380 C LYS A 94 -13.034 0.570 -8.031 1.00 0.00 C ATOM 1381 O LYS A 94 -13.783 1.525 -8.239 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.719 -1.066 -9.897 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.870 -2.346 -9.094 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.320 -3.504 -9.970 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.067 -4.555 -9.163 1.00 0.00 C ATOM 1386 NZ LYS A 94 -13.995 -5.898 -9.801 1.00 0.00 N ATOM 0 H LYS A 94 -10.863 -1.250 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.865 0.904 -9.790 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.701 -0.748 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.117 -1.271 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.920 -2.594 -8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.594 -2.191 -8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.963 -3.130 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.452 -3.959 -10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.648 -4.607 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.111 -4.258 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.516 -6.586 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.418 -5.855 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.001 -6.193 -9.878 1.00 0.00 H new ATOM 1400 N THR A 95 -13.006 -0.089 -6.877 1.00 0.00 N ATOM 1401 CA THR A 95 -13.872 0.281 -5.764 1.00 0.00 C ATOM 1402 C THR A 95 -13.152 1.209 -4.792 1.00 0.00 C ATOM 1403 O THR A 95 -13.554 2.357 -4.604 1.00 0.00 O ATOM 1404 CB THR A 95 -14.366 -0.961 -5.000 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.256 -1.643 -4.403 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.109 -1.909 -5.928 1.00 0.00 C ATOM 0 H THR A 95 -12.393 -0.882 -6.689 1.00 0.00 H new ATOM 0 HA THR A 95 -14.730 0.801 -6.190 1.00 0.00 H new ATOM 0 HB THR A 95 -15.052 -0.630 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.912 -2.316 -5.026 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.448 -2.778 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.970 -1.397 -6.358 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.443 -2.232 -6.728 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.087 0.706 -4.179 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.328 1.504 -3.234 1.00 0.00 C ATOM 1416 C GLY A 96 -11.483 1.018 -1.807 1.00 0.00 C ATOM 1417 O GLY A 96 -12.451 0.330 -1.481 1.00 0.00 O ATOM 0 H GLY A 96 -11.735 -0.241 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.274 1.482 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.652 2.543 -3.298 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.527 1.373 -0.955 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.563 0.968 0.445 1.00 0.00 C ATOM 1423 C ILE A 97 -11.088 2.092 1.330 1.00 0.00 C ATOM 1424 O ILE A 97 -10.850 3.269 1.060 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.169 0.544 0.943 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.667 -0.667 0.155 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.211 0.234 2.432 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.160 -0.734 0.043 1.00 0.00 C ATOM 0 H ILE A 97 -9.718 1.940 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.238 0.115 0.510 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.476 1.370 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.028 -1.577 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.097 -0.642 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.218 -0.064 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.529 1.121 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.916 -0.577 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.877 -1.618 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.793 0.159 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.723 -0.791 1.040 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.801 1.721 2.389 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.358 2.700 3.315 1.00 0.00 C ATOM 1442 C GLU A 98 -11.797 2.501 4.720 1.00 0.00 C ATOM 1443 O GLU A 98 -12.090 1.504 5.380 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.884 2.596 3.344 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.527 3.393 4.466 1.00 0.00 C ATOM 1446 CD GLU A 98 -16.026 3.547 4.289 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.691 2.539 3.968 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.533 4.673 4.470 1.00 0.00 O ATOM 0 H GLU A 98 -12.006 0.751 2.627 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.075 3.693 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.282 2.942 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.166 1.548 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.326 2.901 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.068 4.380 4.515 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.989 3.456 5.170 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.386 3.384 6.495 1.00 0.00 C ATOM 1457 C GLU A 99 -11.391 3.782 7.572 1.00 0.00 C ATOM 1458 O GLU A 99 -12.133 4.753 7.416 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.156 4.291 6.569 1.00 0.00 C ATOM 1460 CG GLU A 99 -8.092 3.960 5.536 1.00 0.00 C ATOM 1461 CD GLU A 99 -7.135 5.110 5.294 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.976 5.950 6.205 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.545 5.172 4.195 1.00 0.00 O ATOM 0 H GLU A 99 -10.737 4.288 4.636 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.080 2.353 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.470 5.326 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.719 4.216 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.529 3.087 5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.575 3.690 4.597 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.409 3.026 8.665 1.00 0.00 N ATOM 1471 CA ALA A 100 -12.321 3.300 9.768 1.00 0.00 C ATOM 1472 C ALA A 100 -12.382 4.794 10.072 1.00 0.00 C ATOM 1473 O ALA A 100 -13.457 5.394 10.067 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.897 2.526 11.008 1.00 0.00 C ATOM 0 H ALA A 100 -10.802 2.219 8.810 1.00 0.00 H new ATOM 0 HA ALA A 100 -13.318 2.974 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.587 2.740 11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.910 1.458 10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.889 2.825 11.297 1.00 0.00 H new ATOM 1480 N SER A 101 -11.222 5.388 10.335 1.00 0.00 N ATOM 1481 CA SER A 101 -11.146 6.811 10.645 1.00 0.00 C ATOM 1482 C SER A 101 -12.148 7.603 9.810 1.00 0.00 C ATOM 1483 O SER A 101 -12.898 8.426 10.336 1.00 0.00 O ATOM 1484 CB SER A 101 -9.730 7.333 10.394 1.00 0.00 C ATOM 1485 OG SER A 101 -9.452 8.460 11.206 1.00 0.00 O ATOM 0 H SER A 101 -10.323 4.906 10.340 1.00 0.00 H new ATOM 0 HA SER A 101 -11.393 6.943 11.698 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.006 6.545 10.600 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.619 7.601 9.343 1.00 0.00 H new ATOM 0 HG SER A 101 -8.541 8.774 11.029 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.155 7.349 8.505 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.068 8.046 7.618 1.00 0.00 C ATOM 1493 C GLY A 102 -12.395 8.506 6.339 1.00 0.00 C ATOM 1494 O GLY A 102 -12.785 9.517 5.755 1.00 0.00 O ATOM 0 H GLY A 102 -11.545 6.673 8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.902 7.389 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.485 8.909 8.136 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.383 7.763 5.905 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.655 8.102 4.688 1.00 0.00 C ATOM 1500 C ALA A 103 -10.856 7.036 3.616 1.00 0.00 C ATOM 1501 O ALA A 103 -11.154 5.881 3.922 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.174 8.277 4.989 1.00 0.00 C ATOM 0 H ALA A 103 -11.048 6.923 6.377 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.050 9.044 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.644 8.530 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.043 9.078 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.773 7.349 5.396 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.691 7.432 2.358 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.857 6.510 1.239 1.00 0.00 C ATOM 1510 C PHE A 104 -9.607 6.489 0.363 1.00 0.00 C ATOM 1511 O PHE A 104 -9.233 7.500 -0.231 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.074 6.906 0.400 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.344 6.232 0.834 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -14.124 6.777 1.842 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.759 5.054 0.234 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -15.294 6.160 2.242 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.929 4.432 0.630 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.697 4.986 1.636 1.00 0.00 C ATOM 0 H PHE A 104 -10.443 8.384 2.088 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.014 5.510 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.208 7.986 0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.881 6.662 -0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.814 7.694 2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.162 4.616 -0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.893 6.596 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.242 3.515 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.611 4.502 1.948 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.963 5.327 0.289 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.756 5.173 -0.514 1.00 0.00 C ATOM 1530 C VAL A 105 -8.097 4.790 -1.950 1.00 0.00 C ATOM 1531 O VAL A 105 -8.961 3.945 -2.190 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.819 4.105 0.082 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.595 3.916 -0.800 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.414 4.484 1.499 1.00 0.00 C ATOM 0 H VAL A 105 -9.257 4.480 0.775 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.247 6.137 -0.509 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.356 3.157 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.945 3.158 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.908 3.596 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.053 4.858 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.752 3.719 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.895 5.442 1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.304 4.562 2.123 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.413 5.416 -2.901 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.643 5.143 -4.314 1.00 0.00 C ATOM 1546 C TYR A 106 -6.365 4.655 -4.990 1.00 0.00 C ATOM 1547 O TYR A 106 -5.268 5.115 -4.675 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.161 6.397 -5.020 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.441 6.942 -4.426 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.398 6.089 -3.890 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.692 8.308 -4.401 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.569 6.582 -3.347 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.859 8.809 -3.858 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.795 7.942 -3.333 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.960 8.438 -2.793 1.00 0.00 O ATOM 0 H TYR A 106 -6.694 6.116 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.394 4.357 -4.388 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.394 7.170 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.327 6.168 -6.073 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.224 5.023 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.963 8.990 -4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.304 5.905 -2.936 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.038 9.874 -3.844 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.962 9.416 -2.861 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.517 3.721 -5.924 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.376 3.171 -6.647 1.00 0.00 C ATOM 1567 C LEU A 107 -5.531 3.381 -8.149 1.00 0.00 C ATOM 1568 O LEU A 107 -6.144 2.567 -8.840 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.225 1.679 -6.342 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.297 1.286 -4.866 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.736 1.012 -4.456 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.423 0.068 -4.596 1.00 0.00 C ATOM 0 H LEU A 107 -7.418 3.330 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.480 3.696 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.003 1.138 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.268 1.342 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.923 2.118 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.767 0.734 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.336 1.908 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.137 0.197 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.486 -0.198 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.768 -0.769 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.389 0.299 -4.851 1.00 0.00 H new ATOM 1584 N ARG A 108 -4.970 4.478 -8.650 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.046 4.795 -10.070 1.00 0.00 C ATOM 1586 C ARG A 108 -3.886 4.158 -10.832 1.00 0.00 C ATOM 1587 O ARG A 108 -4.087 3.513 -11.860 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.036 6.310 -10.278 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.117 7.039 -9.498 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.479 8.363 -10.151 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.368 8.184 -11.296 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.626 7.768 -11.192 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -9.140 7.490 -10.002 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -9.372 7.629 -12.281 1.00 0.00 N ATOM 0 H ARG A 108 -4.458 5.162 -8.092 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.980 4.389 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.062 6.702 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.160 6.523 -11.340 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.005 6.411 -9.431 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.774 7.217 -8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.959 9.010 -9.417 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.569 8.868 -10.474 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.003 8.389 -12.226 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.570 7.595 -9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.106 7.171 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.980 7.841 -13.198 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.337 7.310 -12.201 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.675 4.346 -10.319 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.484 3.792 -10.950 1.00 0.00 C ATOM 1610 C GLN A 109 -0.507 3.266 -9.904 1.00 0.00 C ATOM 1611 O GLN A 109 -0.350 3.835 -8.824 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.800 4.851 -11.817 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.227 6.011 -11.020 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.247 7.104 -10.765 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.264 7.193 -11.454 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.979 7.944 -9.772 1.00 0.00 N ATOM 0 H GLN A 109 -2.493 4.878 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.793 2.960 -11.582 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.002 4.380 -12.386 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.519 5.237 -12.539 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.149 5.641 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.623 6.431 -11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.124 7.833 -9.227 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.628 8.700 -9.554 1.00 0.00 H new ATOM 1625 N PRO A 110 0.167 2.153 -10.230 1.00 0.00 N ATOM 1626 CA PRO A 110 1.141 1.526 -9.331 1.00 0.00 C ATOM 1627 C PRO A 110 2.405 2.362 -9.173 1.00 0.00 C ATOM 1628 O PRO A 110 2.440 3.531 -9.557 1.00 0.00 O ATOM 1629 CB PRO A 110 1.461 0.199 -10.026 1.00 0.00 C ATOM 1630 CG PRO A 110 1.176 0.447 -11.466 1.00 0.00 C ATOM 1631 CD PRO A 110 0.031 1.421 -11.501 1.00 0.00 C ATOM 0 HA PRO A 110 0.748 1.411 -8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.501 -0.088 -9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.846 -0.611 -9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.051 0.855 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.915 -0.480 -11.977 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.098 2.090 -12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.929 0.910 -11.570 1.00 0.00 H new ATOM 1639 N TYR A 111 3.442 1.756 -8.604 1.00 0.00 N ATOM 1640 CA TYR A 111 4.709 2.447 -8.393 1.00 0.00 C ATOM 1641 C TYR A 111 5.881 1.595 -8.871 1.00 0.00 C ATOM 1642 O TYR A 111 6.184 0.553 -8.289 1.00 0.00 O ATOM 1643 CB TYR A 111 4.885 2.792 -6.913 1.00 0.00 C ATOM 1644 CG TYR A 111 6.185 3.499 -6.607 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.369 4.834 -6.945 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.232 2.832 -5.981 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.556 5.485 -6.667 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.421 3.475 -5.698 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.579 4.801 -6.043 1.00 0.00 C ATOM 1650 OH TYR A 111 9.763 5.445 -5.765 1.00 0.00 O ATOM 0 H TYR A 111 3.430 0.789 -8.281 1.00 0.00 H new ATOM 0 HA TYR A 111 4.692 3.368 -8.975 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.055 3.422 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.833 1.875 -6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.570 5.372 -7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.113 1.793 -5.711 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.682 6.523 -6.937 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.223 2.942 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 111 9.615 6.113 -5.063 1.00 0.00 H new ATOM 1660 N TYR A 112 6.536 2.045 -9.935 1.00 0.00 N ATOM 1661 CA TYR A 112 7.675 1.325 -10.493 1.00 0.00 C ATOM 1662 C TYR A 112 8.989 1.894 -9.971 1.00 0.00 C ATOM 1663 O TYR A 112 9.300 3.066 -10.182 1.00 0.00 O ATOM 1664 CB TYR A 112 7.647 1.393 -12.021 1.00 0.00 C ATOM 1665 CG TYR A 112 6.266 1.224 -12.610 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.509 0.090 -12.343 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.716 2.197 -13.437 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.246 -0.070 -12.880 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.454 2.047 -13.977 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.723 0.912 -13.696 1.00 0.00 C ATOM 1671 OH TYR A 112 2.466 0.757 -14.233 1.00 0.00 O ATOM 0 H TYR A 112 6.298 2.905 -10.429 1.00 0.00 H new ATOM 0 HA TYR A 112 7.603 0.283 -10.180 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.054 2.352 -12.341 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.301 0.619 -12.423 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.915 -0.680 -11.704 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.286 3.086 -13.661 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.672 -0.958 -12.662 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.042 2.814 -14.616 1.00 0.00 H new ATOM 0 HH TYR A 112 2.247 1.538 -14.783 1.00 0.00 H new ATOM 1869 N SER B 9 -3.287 2.313 8.988 1.00 0.00 N ATOM 1870 CA SER B 9 -4.669 2.777 8.956 1.00 0.00 C ATOM 1871 C SER B 9 -5.635 1.599 8.868 1.00 0.00 C ATOM 1872 O SER B 9 -5.688 0.899 7.856 1.00 0.00 O ATOM 1873 CB SER B 9 -4.886 3.719 7.770 1.00 0.00 C ATOM 1874 OG SER B 9 -4.549 5.052 8.110 1.00 0.00 O ATOM 0 HA SER B 9 -4.866 3.318 9.881 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.280 3.391 6.926 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.927 3.674 7.451 1.00 0.00 H new ATOM 0 HG SER B 9 -5.166 5.669 7.665 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.398 1.386 9.935 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.363 0.294 9.979 1.00 0.00 C ATOM 1882 C ASP B 10 -8.421 0.460 8.892 1.00 0.00 C ATOM 1883 O ASP B 10 -8.385 1.416 8.116 1.00 0.00 O ATOM 1884 CB ASP B 10 -8.033 0.232 11.353 1.00 0.00 C ATOM 1885 CG ASP B 10 -7.306 -0.695 12.309 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -7.408 -1.927 12.132 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.637 -0.188 13.233 1.00 0.00 O ATOM 0 H ASP B 10 -6.367 1.955 10.781 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.827 -0.639 9.801 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -8.071 1.234 11.781 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -9.063 -0.105 11.237 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.361 -0.477 8.841 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.430 -0.436 7.849 1.00 0.00 C ATOM 1894 C LEU B 11 -11.796 -0.355 8.522 1.00 0.00 C ATOM 1895 O LEU B 11 -11.891 -0.229 9.742 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.364 -1.671 6.949 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.405 -1.587 5.761 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.137 -0.842 6.151 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.070 -2.978 5.245 1.00 0.00 C ATOM 0 H LEU B 11 -9.405 -1.275 9.475 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.293 0.458 7.240 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.078 -2.527 7.561 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.365 -1.872 6.568 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.897 -1.034 4.961 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.466 -0.792 5.293 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.392 0.168 6.471 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.643 -1.368 6.968 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.387 -2.898 4.400 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.599 -3.557 6.039 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.985 -3.478 4.926 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.851 -0.431 7.718 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.213 -0.369 8.236 1.00 0.00 C ATOM 1913 C ASN B 12 -14.637 -1.714 8.817 1.00 0.00 C ATOM 1914 O ASN B 12 -15.050 -1.801 9.974 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.183 0.050 7.129 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.648 -1.127 6.292 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.753 -1.637 6.477 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -14.802 -1.563 5.366 1.00 0.00 N ATOM 0 H ASN B 12 -12.789 -0.536 6.705 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.238 0.374 9.033 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -16.049 0.540 7.574 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.699 0.783 6.483 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.058 -2.352 4.772 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -13.896 -1.109 5.248 1.00 0.00 H new