USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 468 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 42 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.06 K(o=2.2,f=-5.6!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0.0657 F(o=-0.81,f=0.066) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0006 X(o=-0.0006,f=-0.0096) USER MOD Single : A 28 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.46) USER MOD Single : A 30 THR OG1 : rot -46:sc= 0.161 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-0.87) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 39 THR OG1 : rot -22:sc= 0.224 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N VAL A 4 4.770 -15.386 2.626 1.00 0.00 N ATOM 65 CA VAL A 4 4.471 -14.728 1.392 1.00 0.00 C ATOM 66 C VAL A 4 3.052 -15.024 1.049 1.00 0.00 C ATOM 67 O VAL A 4 2.740 -16.150 0.665 1.00 0.00 O ATOM 68 CB VAL A 4 5.374 -15.206 0.293 1.00 0.00 C ATOM 69 CG1 VAL A 4 5.137 -14.394 -0.991 1.00 0.00 C ATOM 70 CG2 VAL A 4 6.850 -15.054 0.698 1.00 0.00 C ATOM 0 HA VAL A 4 4.627 -13.655 1.502 1.00 0.00 H new ATOM 0 HB VAL A 4 5.148 -16.257 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.800 -14.754 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.101 -14.510 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.341 -13.341 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.488 -15.406 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.066 -14.005 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.044 -15.643 1.594 1.00 0.00 H new ATOM 80 N ILE A 5 2.099 -14.089 1.214 1.00 0.00 N ATOM 81 CA ILE A 5 0.716 -14.451 1.176 1.00 0.00 C ATOM 82 C ILE A 5 0.198 -14.450 -0.221 1.00 0.00 C ATOM 83 O ILE A 5 -0.378 -15.430 -0.691 1.00 0.00 O ATOM 84 CB ILE A 5 -0.144 -13.631 2.092 1.00 0.00 C ATOM 85 CG1 ILE A 5 0.353 -13.721 3.544 1.00 0.00 C ATOM 86 CG2 ILE A 5 -1.589 -14.156 2.050 1.00 0.00 C ATOM 87 CD1 ILE A 5 1.300 -12.591 3.949 1.00 0.00 C ATOM 0 H ILE A 5 2.281 -13.098 1.371 1.00 0.00 H new ATOM 0 HA ILE A 5 0.657 -15.470 1.559 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.097 -12.595 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.508 -13.717 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.861 -14.675 3.685 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.212 -13.559 2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.973 -14.084 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.607 -15.197 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.605 -12.726 4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.180 -12.606 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.790 -11.633 3.843 1.00 0.00 H new ATOM 99 N ALA A 6 0.388 -13.336 -0.951 1.00 0.00 N ATOM 100 CA ALA A 6 -0.186 -13.243 -2.258 1.00 0.00 C ATOM 101 C ALA A 6 0.403 -12.175 -3.114 1.00 0.00 C ATOM 102 O ALA A 6 0.979 -11.199 -2.636 1.00 0.00 O ATOM 103 CB ALA A 6 -1.694 -12.975 -2.111 1.00 0.00 C ATOM 0 H ALA A 6 0.923 -12.522 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 6 0.024 -14.189 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.148 -12.901 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.157 -13.793 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -1.847 -12.041 -1.571 1.00 0.00 H new ATOM 109 N THR A 7 0.214 -12.286 -4.441 1.00 0.00 N ATOM 110 CA THR A 7 0.453 -11.257 -5.404 1.00 0.00 C ATOM 111 C THR A 7 -0.847 -10.884 -6.031 1.00 0.00 C ATOM 112 O THR A 7 -1.761 -11.701 -6.129 1.00 0.00 O ATOM 113 CB THR A 7 1.490 -11.612 -6.429 1.00 0.00 C ATOM 114 OG1 THR A 7 1.247 -12.863 -7.056 1.00 0.00 O ATOM 115 CG2 THR A 7 2.854 -11.743 -5.731 1.00 0.00 C ATOM 0 H THR A 7 -0.127 -13.148 -4.867 1.00 0.00 H new ATOM 0 HA THR A 7 0.876 -10.399 -4.882 1.00 0.00 H new ATOM 0 HB THR A 7 1.463 -10.823 -7.181 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.951 -13.041 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.616 -12.001 -6.467 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.113 -10.796 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.801 -12.525 -4.974 1.00 0.00 H new ATOM 123 N LYS A 8 -0.997 -9.608 -6.428 1.00 0.00 N ATOM 124 CA LYS A 8 -2.205 -8.962 -6.839 1.00 0.00 C ATOM 125 C LYS A 8 -3.342 -9.058 -5.881 1.00 0.00 C ATOM 126 O LYS A 8 -4.222 -9.913 -5.964 1.00 0.00 O ATOM 127 CB LYS A 8 -2.668 -9.277 -8.272 1.00 0.00 C ATOM 128 CG LYS A 8 -1.611 -9.155 -9.371 1.00 0.00 C ATOM 129 CD LYS A 8 -0.785 -7.867 -9.403 1.00 0.00 C ATOM 130 CE LYS A 8 -1.563 -6.566 -9.614 1.00 0.00 C ATOM 131 NZ LYS A 8 -0.616 -5.429 -9.567 1.00 0.00 N ATOM 0 H LYS A 8 -0.200 -8.973 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.888 -7.919 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.062 -10.293 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.495 -8.611 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.924 -9.995 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.110 -9.261 -10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.237 -7.789 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.045 -7.955 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.080 -6.587 -10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.326 -6.454 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.135 -4.539 -9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.143 -5.409 -8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.096 -5.539 -10.317 1.00 0.00 H new ATOM 145 N VAL A 9 -3.328 -8.152 -4.887 1.00 0.00 N ATOM 146 CA VAL A 9 -4.098 -8.196 -3.683 1.00 0.00 C ATOM 147 C VAL A 9 -4.789 -6.882 -3.555 1.00 0.00 C ATOM 148 O VAL A 9 -4.227 -5.847 -3.909 1.00 0.00 O ATOM 149 CB VAL A 9 -3.198 -8.392 -2.499 1.00 0.00 C ATOM 150 CG1 VAL A 9 -3.979 -8.415 -1.174 1.00 0.00 C ATOM 151 CG2 VAL A 9 -2.442 -9.720 -2.672 1.00 0.00 C ATOM 0 H VAL A 9 -2.732 -7.326 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.810 -9.021 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.506 -7.551 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.286 -8.559 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.506 -7.470 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.700 -9.233 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.783 -9.877 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.157 -10.540 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.850 -9.685 -3.586 1.00 0.00 H new ATOM 161 N LEU A 10 -6.031 -6.878 -3.040 1.00 0.00 N ATOM 162 CA LEU A 10 -6.759 -5.680 -2.758 1.00 0.00 C ATOM 163 C LEU A 10 -6.820 -5.467 -1.285 1.00 0.00 C ATOM 164 O LEU A 10 -6.823 -6.396 -0.479 1.00 0.00 O ATOM 165 CB LEU A 10 -8.169 -5.689 -3.372 1.00 0.00 C ATOM 166 CG LEU A 10 -8.263 -5.255 -4.844 1.00 0.00 C ATOM 167 CD1 LEU A 10 -7.885 -3.775 -5.030 1.00 0.00 C ATOM 168 CD2 LEU A 10 -7.430 -6.129 -5.797 1.00 0.00 C ATOM 0 H LEU A 10 -6.543 -7.731 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.227 -4.850 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.576 -6.696 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.807 -5.034 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.311 -5.392 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.964 -3.509 -6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.561 -3.151 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.861 -3.616 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.544 -5.765 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.380 -6.081 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.775 -7.161 -5.739 1.00 0.00 H new ATOM 180 N GLY A 11 -6.851 -4.190 -0.864 1.00 0.00 N ATOM 181 CA GLY A 11 -6.907 -3.834 0.519 1.00 0.00 C ATOM 182 C GLY A 11 -7.193 -2.382 0.695 1.00 0.00 C ATOM 183 O GLY A 11 -7.378 -1.642 -0.271 1.00 0.00 O ATOM 0 H GLY A 11 -6.837 -3.390 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.679 -4.421 1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.960 -4.081 0.999 1.00 0.00 H new ATOM 187 N THR A 12 -7.271 -1.944 1.963 1.00 0.00 N ATOM 188 CA THR A 12 -7.734 -0.646 2.348 1.00 0.00 C ATOM 189 C THR A 12 -6.611 0.107 2.975 1.00 0.00 C ATOM 190 O THR A 12 -5.882 -0.415 3.817 1.00 0.00 O ATOM 191 CB THR A 12 -8.832 -0.709 3.370 1.00 0.00 C ATOM 192 OG1 THR A 12 -9.971 -1.383 2.856 1.00 0.00 O ATOM 193 CG2 THR A 12 -9.340 0.685 3.775 1.00 0.00 C ATOM 0 H THR A 12 -6.999 -2.522 2.758 1.00 0.00 H new ATOM 0 HA THR A 12 -8.109 -0.164 1.445 1.00 0.00 H new ATOM 0 HB THR A 12 -8.393 -1.227 4.223 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.671 -1.412 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.133 0.582 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.519 1.262 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.729 1.200 2.896 1.00 0.00 H new ATOM 201 N VAL A 13 -6.423 1.388 2.613 1.00 0.00 N ATOM 202 CA VAL A 13 -5.468 2.231 3.264 1.00 0.00 C ATOM 203 C VAL A 13 -6.079 2.819 4.488 1.00 0.00 C ATOM 204 O VAL A 13 -7.146 3.428 4.435 1.00 0.00 O ATOM 205 CB VAL A 13 -4.979 3.316 2.351 1.00 0.00 C ATOM 206 CG1 VAL A 13 -3.909 4.180 3.040 1.00 0.00 C ATOM 207 CG2 VAL A 13 -4.382 2.685 1.081 1.00 0.00 C ATOM 0 H VAL A 13 -6.939 1.845 1.861 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.606 1.624 3.541 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.824 3.954 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.573 4.958 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.333 4.641 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.062 3.554 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.026 3.472 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.549 2.036 1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.147 2.099 0.572 1.00 0.00 H new ATOM 217 N LYS A 14 -5.452 2.642 5.665 1.00 0.00 N ATOM 218 CA LYS A 14 -5.899 3.216 6.896 1.00 0.00 C ATOM 219 C LYS A 14 -5.131 4.466 7.155 1.00 0.00 C ATOM 220 O LYS A 14 -5.682 5.556 7.296 1.00 0.00 O ATOM 221 CB LYS A 14 -5.705 2.252 8.079 1.00 0.00 C ATOM 222 CG LYS A 14 -6.411 0.905 7.914 1.00 0.00 C ATOM 223 CD LYS A 14 -6.115 -0.074 9.052 1.00 0.00 C ATOM 224 CE LYS A 14 -6.803 0.273 10.374 1.00 0.00 C ATOM 225 NZ LYS A 14 -6.469 -0.744 11.396 1.00 0.00 N ATOM 0 H LYS A 14 -4.606 2.081 5.763 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.964 3.427 6.804 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.638 2.076 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.070 2.732 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.487 1.071 7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.107 0.456 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.424 -1.073 8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.038 -0.110 9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.485 1.259 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.883 0.318 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.939 -0.503 12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.794 -1.678 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.439 -0.766 11.540 1.00 0.00 H new ATOM 239 N TRP A 15 -3.793 4.335 7.216 1.00 0.00 N ATOM 240 CA TRP A 15 -2.899 5.403 7.539 1.00 0.00 C ATOM 241 C TRP A 15 -1.646 5.249 6.746 1.00 0.00 C ATOM 242 O TRP A 15 -0.731 4.515 7.115 1.00 0.00 O ATOM 243 CB TRP A 15 -2.672 5.399 9.059 1.00 0.00 C ATOM 244 CG TRP A 15 -1.591 6.302 9.605 1.00 0.00 C ATOM 245 CD1 TRP A 15 -0.542 5.936 10.398 1.00 0.00 C ATOM 246 CD2 TRP A 15 -1.409 7.701 9.313 1.00 0.00 C ATOM 247 NE1 TRP A 15 0.321 6.989 10.552 1.00 0.00 N ATOM 248 CE2 TRP A 15 -0.197 8.084 9.901 1.00 0.00 C ATOM 249 CE3 TRP A 15 -2.168 8.589 8.601 1.00 0.00 C ATOM 250 CZ2 TRP A 15 0.266 9.364 9.760 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -1.689 9.872 8.471 1.00 0.00 C ATOM 252 CH2 TRP A 15 -0.496 10.253 9.039 1.00 0.00 C ATOM 0 H TRP A 15 -3.317 3.452 7.033 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.313 6.376 7.275 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.612 5.670 9.540 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.442 4.378 9.362 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -0.411 4.959 10.840 1.00 0.00 H new ATOM 0 HE1 TRP A 15 1.202 6.965 11.065 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -3.108 8.294 8.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.203 9.667 10.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.262 10.596 7.911 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.151 11.269 8.917 1.00 0.00 H new ATOM 263 N PHE A 16 -1.547 5.952 5.604 1.00 0.00 N ATOM 264 CA PHE A 16 -0.327 6.115 4.875 1.00 0.00 C ATOM 265 C PHE A 16 0.256 7.436 5.242 1.00 0.00 C ATOM 266 O PHE A 16 -0.410 8.470 5.231 1.00 0.00 O ATOM 267 CB PHE A 16 -0.557 5.974 3.360 1.00 0.00 C ATOM 268 CG PHE A 16 0.706 5.973 2.570 1.00 0.00 C ATOM 269 CD1 PHE A 16 1.384 4.809 2.296 1.00 0.00 C ATOM 270 CD2 PHE A 16 1.207 7.164 2.097 1.00 0.00 C ATOM 271 CE1 PHE A 16 2.540 4.833 1.552 1.00 0.00 C ATOM 272 CE2 PHE A 16 2.368 7.198 1.363 1.00 0.00 C ATOM 273 CZ PHE A 16 3.034 6.028 1.083 1.00 0.00 C ATOM 0 H PHE A 16 -2.343 6.423 5.173 1.00 0.00 H new ATOM 0 HA PHE A 16 0.379 5.328 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.099 5.048 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.191 6.792 3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.006 3.868 2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.681 8.084 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.061 3.912 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.756 8.141 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.941 6.047 0.497 1.00 0.00 H new ATOM 283 N ASN A 17 1.549 7.466 5.613 1.00 0.00 N ATOM 284 CA ASN A 17 2.203 8.663 6.044 1.00 0.00 C ATOM 285 C ASN A 17 3.011 9.226 4.927 1.00 0.00 C ATOM 286 O ASN A 17 4.087 8.726 4.597 1.00 0.00 O ATOM 287 CB ASN A 17 3.051 8.335 7.284 1.00 0.00 C ATOM 288 CG ASN A 17 3.799 9.557 7.801 1.00 0.00 C ATOM 289 OD1 ASN A 17 5.155 9.472 7.758 1.00 0.00 O flip ATOM 290 ND2 ASN A 17 3.234 10.579 8.187 1.00 0.00 N flip ATOM 0 H ASN A 17 2.152 6.643 5.614 1.00 0.00 H new ATOM 0 HA ASN A 17 1.478 9.428 6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.406 7.944 8.071 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.765 7.550 7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.215 10.620 8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.784 11.385 8.483 1.00 0.00 H new ATOM 297 N VAL A 18 2.537 10.324 4.311 1.00 0.00 N ATOM 298 CA VAL A 18 3.084 10.932 3.138 1.00 0.00 C ATOM 299 C VAL A 18 4.307 11.730 3.437 1.00 0.00 C ATOM 300 O VAL A 18 5.212 11.854 2.615 1.00 0.00 O ATOM 301 CB VAL A 18 2.065 11.804 2.464 1.00 0.00 C ATOM 302 CG1 VAL A 18 2.583 12.356 1.126 1.00 0.00 C ATOM 303 CG2 VAL A 18 0.791 10.986 2.189 1.00 0.00 C ATOM 0 H VAL A 18 1.716 10.820 4.657 1.00 0.00 H new ATOM 0 HA VAL A 18 3.367 10.121 2.467 1.00 0.00 H new ATOM 0 HB VAL A 18 1.856 12.641 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.816 12.982 0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.480 12.950 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.820 11.528 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.051 11.619 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.033 10.143 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.386 10.616 3.131 1.00 0.00 H new ATOM 313 N ARG A 19 4.445 12.232 4.677 1.00 0.00 N ATOM 314 CA ARG A 19 5.532 13.070 5.078 1.00 0.00 C ATOM 315 C ARG A 19 6.843 12.362 5.064 1.00 0.00 C ATOM 316 O ARG A 19 7.812 12.853 4.487 1.00 0.00 O ATOM 317 CB ARG A 19 5.245 13.638 6.478 1.00 0.00 C ATOM 318 CG ARG A 19 4.163 14.719 6.449 1.00 0.00 C ATOM 319 CD ARG A 19 3.850 15.373 7.796 1.00 0.00 C ATOM 320 NE ARG A 19 5.140 15.939 8.283 1.00 0.00 N ATOM 321 CZ ARG A 19 5.534 15.982 9.590 1.00 0.00 C ATOM 322 NH1 ARG A 19 4.698 15.660 10.621 1.00 0.00 N ATOM 323 NH2 ARG A 19 6.826 16.329 9.858 1.00 0.00 N ATOM 0 H ARG A 19 3.777 12.048 5.426 1.00 0.00 H new ATOM 0 HA ARG A 19 5.610 13.879 4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.932 12.830 7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.162 14.054 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.470 15.497 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.246 14.280 6.056 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.097 16.154 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.452 14.644 8.502 1.00 0.00 H new ATOM 0 HE ARG A 19 5.778 16.324 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.738 15.374 10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.034 15.706 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.465 16.547 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.153 16.371 10.823 1.00 0.00 H new ATOM 337 N ASN A 20 6.936 11.134 5.607 1.00 0.00 N ATOM 338 CA ASN A 20 8.048 10.267 5.365 1.00 0.00 C ATOM 339 C ASN A 20 7.926 9.612 4.033 1.00 0.00 C ATOM 340 O ASN A 20 8.874 9.572 3.250 1.00 0.00 O ATOM 341 CB ASN A 20 8.192 9.227 6.488 1.00 0.00 C ATOM 342 CG ASN A 20 9.514 8.474 6.433 1.00 0.00 C ATOM 343 OD1 ASN A 20 9.550 7.265 6.215 1.00 0.00 O ATOM 344 ND2 ASN A 20 10.644 9.201 6.647 1.00 0.00 N ATOM 0 H ASN A 20 6.228 10.737 6.224 1.00 0.00 H new ATOM 0 HA ASN A 20 8.955 10.872 5.359 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.104 9.727 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.370 8.514 6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.556 8.744 6.629 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.580 10.203 6.825 1.00 0.00 H new ATOM 351 N GLY A 21 6.731 9.088 3.703 1.00 0.00 N ATOM 352 CA GLY A 21 6.471 8.419 2.466 1.00 0.00 C ATOM 353 C GLY A 21 6.516 6.942 2.658 1.00 0.00 C ATOM 354 O GLY A 21 7.185 6.195 1.946 1.00 0.00 O ATOM 0 H GLY A 21 5.919 9.132 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.494 8.713 2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.208 8.718 1.721 1.00 0.00 H new ATOM 358 N TYR A 22 5.790 6.491 3.697 1.00 0.00 N ATOM 359 CA TYR A 22 5.948 5.205 4.301 1.00 0.00 C ATOM 360 C TYR A 22 4.652 4.867 4.953 1.00 0.00 C ATOM 361 O TYR A 22 3.889 5.741 5.363 1.00 0.00 O ATOM 362 CB TYR A 22 7.066 5.295 5.353 1.00 0.00 C ATOM 363 CG TYR A 22 7.461 4.002 5.979 1.00 0.00 C ATOM 364 CD1 TYR A 22 8.279 3.129 5.301 1.00 0.00 C ATOM 365 CD2 TYR A 22 7.089 3.707 7.270 1.00 0.00 C ATOM 366 CE1 TYR A 22 8.730 1.979 5.907 1.00 0.00 C ATOM 367 CE2 TYR A 22 7.538 2.563 7.886 1.00 0.00 C ATOM 368 CZ TYR A 22 8.363 1.701 7.203 1.00 0.00 C ATOM 369 OH TYR A 22 8.861 0.548 7.848 1.00 0.00 O ATOM 0 H TYR A 22 5.058 7.050 4.136 1.00 0.00 H new ATOM 0 HA TYR A 22 6.213 4.441 3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.946 5.737 4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.746 5.978 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.570 3.348 4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.437 4.381 7.805 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.370 1.297 5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.244 2.342 8.902 1.00 0.00 H new ATOM 0 HH TYR A 22 8.504 0.503 8.759 1.00 0.00 H new ATOM 379 N GLY A 23 4.330 3.569 5.095 1.00 0.00 N ATOM 380 CA GLY A 23 3.220 3.178 5.908 1.00 0.00 C ATOM 381 C GLY A 23 2.890 1.746 5.658 1.00 0.00 C ATOM 382 O GLY A 23 3.744 0.938 5.296 1.00 0.00 O ATOM 0 H GLY A 23 4.831 2.798 4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.459 3.327 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.356 3.804 5.685 1.00 0.00 H new ATOM 386 N PHE A 24 1.608 1.380 5.835 1.00 0.00 N ATOM 387 CA PHE A 24 1.171 0.040 5.591 1.00 0.00 C ATOM 388 C PHE A 24 -0.164 0.045 4.930 1.00 0.00 C ATOM 389 O PHE A 24 -0.851 1.064 4.877 1.00 0.00 O ATOM 390 CB PHE A 24 1.211 -0.834 6.857 1.00 0.00 C ATOM 391 CG PHE A 24 0.383 -0.295 7.972 1.00 0.00 C ATOM 392 CD1 PHE A 24 0.891 0.647 8.836 1.00 0.00 C ATOM 393 CD2 PHE A 24 -0.901 -0.747 8.164 1.00 0.00 C ATOM 394 CE1 PHE A 24 0.127 1.142 9.867 1.00 0.00 C ATOM 395 CE2 PHE A 24 -1.673 -0.264 9.194 1.00 0.00 C ATOM 396 CZ PHE A 24 -1.157 0.683 10.046 1.00 0.00 C ATOM 0 H PHE A 24 0.872 2.013 6.148 1.00 0.00 H new ATOM 0 HA PHE A 24 1.877 -0.426 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.865 -1.837 6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.244 -0.928 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.902 1.002 8.703 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.309 -1.492 7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.534 1.888 10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.681 -0.627 9.333 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.760 1.067 10.856 1.00 0.00 H new ATOM 406 N ILE A 25 -0.592 -1.112 4.395 1.00 0.00 N ATOM 407 CA ILE A 25 -1.916 -1.338 3.904 1.00 0.00 C ATOM 408 C ILE A 25 -2.584 -2.277 4.849 1.00 0.00 C ATOM 409 O ILE A 25 -1.935 -3.062 5.539 1.00 0.00 O ATOM 410 CB ILE A 25 -1.989 -1.932 2.528 1.00 0.00 C ATOM 411 CG1 ILE A 25 -0.883 -1.445 1.577 1.00 0.00 C ATOM 412 CG2 ILE A 25 -3.362 -1.613 1.908 1.00 0.00 C ATOM 413 CD1 ILE A 25 -0.960 0.033 1.198 1.00 0.00 C ATOM 0 H ILE A 25 0.013 -1.928 4.300 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.398 -0.363 3.836 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.845 -3.006 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.084 -1.635 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.921 -2.041 0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.418 -2.043 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.150 -2.037 2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.491 -0.532 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.138 0.279 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.909 0.232 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.888 0.644 2.098 1.00 0.00 H new ATOM 425 N ASN A 26 -3.927 -2.267 4.910 1.00 0.00 N ATOM 426 CA ASN A 26 -4.673 -3.353 5.465 1.00 0.00 C ATOM 427 C ASN A 26 -5.039 -4.305 4.379 1.00 0.00 C ATOM 428 O ASN A 26 -5.950 -4.059 3.591 1.00 0.00 O ATOM 429 CB ASN A 26 -5.918 -2.807 6.185 1.00 0.00 C ATOM 430 CG ASN A 26 -6.582 -3.845 7.079 1.00 0.00 C ATOM 431 OD1 ASN A 26 -7.701 -4.300 6.847 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.874 -4.236 8.173 1.00 0.00 N ATOM 0 H ASN A 26 -4.502 -1.496 4.570 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.071 -3.890 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.635 -1.943 6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.637 -2.458 5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.270 -4.919 8.819 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.948 -3.846 8.347 1.00 0.00 H new ATOM 439 N ARG A 27 -4.362 -5.465 4.301 1.00 0.00 N ATOM 440 CA ARG A 27 -4.930 -6.641 3.719 1.00 0.00 C ATOM 441 C ARG A 27 -6.067 -7.114 4.558 1.00 0.00 C ATOM 442 O ARG A 27 -5.889 -7.520 5.706 1.00 0.00 O ATOM 443 CB ARG A 27 -3.860 -7.733 3.550 1.00 0.00 C ATOM 444 CG ARG A 27 -4.422 -9.154 3.469 1.00 0.00 C ATOM 445 CD ARG A 27 -3.453 -10.206 2.928 1.00 0.00 C ATOM 446 NE ARG A 27 -4.205 -11.488 2.828 1.00 0.00 N ATOM 447 CZ ARG A 27 -4.667 -11.988 1.645 1.00 0.00 C ATOM 448 NH1 ARG A 27 -4.865 -11.194 0.552 1.00 0.00 N ATOM 449 NH2 ARG A 27 -4.939 -13.322 1.570 1.00 0.00 N ATOM 0 H ARG A 27 -3.410 -5.588 4.646 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.311 -6.404 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.288 -7.528 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.164 -7.677 4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.744 -9.458 4.465 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.310 -9.141 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.068 -9.909 1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.594 -10.315 3.590 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.383 -12.016 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.666 -10.195 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.211 -11.600 -0.317 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.796 -13.918 2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.285 -13.724 0.699 1.00 0.00 H new ATOM 463 N ASN A 28 -7.296 -7.075 4.012 1.00 0.00 N ATOM 464 CA ASN A 28 -8.509 -7.239 4.750 1.00 0.00 C ATOM 465 C ASN A 28 -8.678 -8.587 5.361 1.00 0.00 C ATOM 466 O ASN A 28 -9.109 -8.720 6.505 1.00 0.00 O ATOM 467 CB ASN A 28 -9.731 -6.797 3.927 1.00 0.00 C ATOM 468 CG ASN A 28 -9.820 -7.439 2.549 1.00 0.00 C ATOM 469 OD1 ASN A 28 -10.030 -8.640 2.390 1.00 0.00 O ATOM 470 ND2 ASN A 28 -9.654 -6.618 1.477 1.00 0.00 N ATOM 0 H ASN A 28 -7.450 -6.923 3.015 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.430 -6.568 5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.636 -7.035 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.704 -5.714 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.703 -6.997 0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.480 -5.623 1.619 1.00 0.00 H new ATOM 477 N ASP A 29 -8.276 -9.643 4.632 1.00 0.00 N ATOM 478 CA ASP A 29 -8.505 -11.034 4.875 1.00 0.00 C ATOM 479 C ASP A 29 -8.326 -11.518 6.273 1.00 0.00 C ATOM 480 O ASP A 29 -9.219 -12.144 6.843 1.00 0.00 O ATOM 481 CB ASP A 29 -7.609 -11.790 3.881 1.00 0.00 C ATOM 482 CG ASP A 29 -8.065 -13.233 3.712 1.00 0.00 C ATOM 483 OD1 ASP A 29 -9.220 -13.446 3.257 1.00 0.00 O ATOM 484 OD2 ASP A 29 -7.255 -14.145 4.030 1.00 0.00 O ATOM 0 H ASP A 29 -7.732 -9.504 3.781 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.568 -11.226 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.627 -11.285 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.577 -11.771 4.231 1.00 0.00 H new ATOM 489 N THR A 30 -7.179 -11.248 6.921 1.00 0.00 N ATOM 490 CA THR A 30 -7.029 -11.602 8.298 1.00 0.00 C ATOM 491 C THR A 30 -6.234 -10.512 8.933 1.00 0.00 C ATOM 492 O THR A 30 -5.450 -10.693 9.863 1.00 0.00 O ATOM 493 CB THR A 30 -6.504 -12.991 8.501 1.00 0.00 C ATOM 494 OG1 THR A 30 -6.531 -13.386 9.865 1.00 0.00 O ATOM 495 CG2 THR A 30 -5.071 -13.170 7.969 1.00 0.00 C ATOM 0 H THR A 30 -6.369 -10.793 6.501 1.00 0.00 H new ATOM 0 HA THR A 30 -7.996 -11.666 8.797 1.00 0.00 H new ATOM 0 HB THR A 30 -7.177 -13.628 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.169 -12.665 10.422 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.744 -14.195 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.051 -12.960 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.402 -12.482 8.487 1.00 0.00 H new ATOM 503 N LYS A 31 -6.462 -9.287 8.428 1.00 0.00 N ATOM 504 CA LYS A 31 -5.933 -8.063 8.944 1.00 0.00 C ATOM 505 C LYS A 31 -4.446 -8.002 9.021 1.00 0.00 C ATOM 506 O LYS A 31 -3.849 -7.865 10.088 1.00 0.00 O ATOM 507 CB LYS A 31 -6.607 -7.709 10.281 1.00 0.00 C ATOM 508 CG LYS A 31 -8.083 -7.308 10.228 1.00 0.00 C ATOM 509 CD LYS A 31 -9.080 -8.460 10.092 1.00 0.00 C ATOM 510 CE LYS A 31 -10.557 -8.064 10.088 1.00 0.00 C ATOM 511 NZ LYS A 31 -10.993 -7.552 11.407 1.00 0.00 N ATOM 0 H LYS A 31 -7.052 -9.143 7.609 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.182 -7.296 8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.512 -8.567 10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.049 -6.890 10.736 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.322 -6.751 11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.226 -6.628 9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.864 -8.995 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.913 -9.159 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.727 -7.301 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.164 -8.927 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.000 -7.294 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.855 -8.288 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.431 -6.713 11.657 1.00 0.00 H new ATOM 525 N GLU A 32 -3.768 -8.172 7.872 1.00 0.00 N ATOM 526 CA GLU A 32 -2.357 -8.383 7.769 1.00 0.00 C ATOM 527 C GLU A 32 -1.706 -7.113 7.343 1.00 0.00 C ATOM 528 O GLU A 32 -2.145 -6.440 6.411 1.00 0.00 O ATOM 529 CB GLU A 32 -2.137 -9.510 6.747 1.00 0.00 C ATOM 530 CG GLU A 32 -2.355 -10.903 7.343 1.00 0.00 C ATOM 531 CD GLU A 32 -1.123 -11.448 8.049 1.00 0.00 C ATOM 532 OE1 GLU A 32 -0.133 -11.804 7.355 1.00 0.00 O ATOM 533 OE2 GLU A 32 -1.142 -11.590 9.301 1.00 0.00 O ATOM 0 H GLU A 32 -4.231 -8.162 6.963 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.916 -8.673 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.816 -9.369 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.123 -9.443 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.184 -10.864 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.645 -11.590 6.549 1.00 0.00 H new ATOM 540 N ASP A 33 -0.627 -6.738 8.055 1.00 0.00 N ATOM 541 CA ASP A 33 -0.028 -5.444 7.958 1.00 0.00 C ATOM 542 C ASP A 33 1.025 -5.444 6.904 1.00 0.00 C ATOM 543 O ASP A 33 2.090 -6.041 7.059 1.00 0.00 O ATOM 544 CB ASP A 33 0.544 -5.028 9.324 1.00 0.00 C ATOM 545 CG ASP A 33 -0.527 -5.105 10.404 1.00 0.00 C ATOM 546 OD1 ASP A 33 -1.548 -4.375 10.296 1.00 0.00 O ATOM 547 OD2 ASP A 33 -0.353 -5.898 11.367 1.00 0.00 O ATOM 0 H ASP A 33 -0.158 -7.355 8.718 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.786 -4.714 7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.379 -5.677 9.587 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.936 -4.013 9.265 1.00 0.00 H new ATOM 552 N VAL A 34 0.744 -4.816 5.748 1.00 0.00 N ATOM 553 CA VAL A 34 1.586 -4.899 4.596 1.00 0.00 C ATOM 554 C VAL A 34 2.340 -3.625 4.411 1.00 0.00 C ATOM 555 O VAL A 34 1.746 -2.606 4.061 1.00 0.00 O ATOM 556 CB VAL A 34 0.799 -5.194 3.353 1.00 0.00 C ATOM 557 CG1 VAL A 34 1.766 -5.618 2.236 1.00 0.00 C ATOM 558 CG2 VAL A 34 -0.219 -6.315 3.626 1.00 0.00 C ATOM 0 H VAL A 34 -0.086 -4.239 5.611 1.00 0.00 H new ATOM 0 HA VAL A 34 2.284 -5.720 4.764 1.00 0.00 H new ATOM 0 HB VAL A 34 0.255 -4.301 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.202 -5.834 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.472 -4.811 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.311 -6.510 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.785 -6.522 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.308 -7.217 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.902 -6.002 4.416 1.00 0.00 H new ATOM 568 N PHE A 35 3.664 -3.589 4.644 1.00 0.00 N ATOM 569 CA PHE A 35 4.425 -2.378 4.663 1.00 0.00 C ATOM 570 C PHE A 35 4.816 -1.879 3.315 1.00 0.00 C ATOM 571 O PHE A 35 5.321 -2.610 2.464 1.00 0.00 O ATOM 572 CB PHE A 35 5.691 -2.533 5.523 1.00 0.00 C ATOM 573 CG PHE A 35 5.303 -2.557 6.961 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.984 -3.737 7.591 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.224 -1.378 7.665 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.561 -3.738 8.899 1.00 0.00 C ATOM 577 CE2 PHE A 35 4.805 -1.373 8.974 1.00 0.00 C ATOM 578 CZ PHE A 35 4.471 -2.554 9.594 1.00 0.00 C ATOM 0 H PHE A 35 4.221 -4.424 4.824 1.00 0.00 H new ATOM 0 HA PHE A 35 3.755 -1.636 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.215 -3.452 5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.378 -1.709 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.066 -4.670 7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.493 -0.449 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.299 -4.668 9.381 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.738 -0.441 9.516 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.140 -2.552 10.622 1.00 0.00 H new ATOM 588 N VAL A 36 4.630 -0.571 3.064 1.00 0.00 N ATOM 589 CA VAL A 36 4.866 0.037 1.791 1.00 0.00 C ATOM 590 C VAL A 36 5.720 1.253 1.905 1.00 0.00 C ATOM 591 O VAL A 36 5.530 2.116 2.760 1.00 0.00 O ATOM 592 CB VAL A 36 3.575 0.312 1.078 1.00 0.00 C ATOM 593 CG1 VAL A 36 2.596 1.119 1.948 1.00 0.00 C ATOM 594 CG2 VAL A 36 3.792 0.972 -0.294 1.00 0.00 C ATOM 0 H VAL A 36 4.304 0.087 3.772 1.00 0.00 H new ATOM 0 HA VAL A 36 5.426 -0.674 1.183 1.00 0.00 H new ATOM 0 HB VAL A 36 3.115 -0.658 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.675 1.295 1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.370 0.560 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.048 2.075 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.827 1.150 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.313 1.921 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.390 0.314 -0.924 1.00 0.00 H new ATOM 604 N HIS A 37 6.739 1.361 1.032 1.00 0.00 N ATOM 605 CA HIS A 37 7.595 2.497 0.881 1.00 0.00 C ATOM 606 C HIS A 37 7.270 3.171 -0.408 1.00 0.00 C ATOM 607 O HIS A 37 6.866 2.527 -1.374 1.00 0.00 O ATOM 608 CB HIS A 37 9.051 2.001 0.898 1.00 0.00 C ATOM 609 CG HIS A 37 10.144 3.003 0.674 1.00 0.00 C ATOM 610 ND1 HIS A 37 11.352 2.613 0.132 1.00 0.00 N ATOM 611 CD2 HIS A 37 10.269 4.335 0.920 1.00 0.00 C ATOM 612 CE1 HIS A 37 12.137 3.721 0.052 1.00 0.00 C ATOM 613 NE2 HIS A 37 11.504 4.788 0.502 1.00 0.00 N ATOM 0 H HIS A 37 6.979 0.605 0.391 1.00 0.00 H new ATOM 0 HA HIS A 37 7.455 3.215 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.229 1.524 1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.148 1.227 0.137 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.509 4.951 1.378 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.147 3.727 -0.330 1.00 0.00 H new ATOM 0 HE2 HIS A 37 11.854 5.746 0.534 1.00 0.00 H new ATOM 621 N GLN A 38 7.413 4.505 -0.510 1.00 0.00 N ATOM 622 CA GLN A 38 6.999 5.286 -1.634 1.00 0.00 C ATOM 623 C GLN A 38 7.550 4.977 -2.983 1.00 0.00 C ATOM 624 O GLN A 38 6.953 5.348 -3.993 1.00 0.00 O ATOM 625 CB GLN A 38 7.173 6.785 -1.338 1.00 0.00 C ATOM 626 CG GLN A 38 8.620 7.261 -1.198 1.00 0.00 C ATOM 627 CD GLN A 38 8.710 8.737 -0.836 1.00 0.00 C ATOM 628 OE1 GLN A 38 7.953 9.581 -1.315 1.00 0.00 O ATOM 629 NE2 GLN A 38 9.683 9.099 0.042 1.00 0.00 N ATOM 0 H GLN A 38 7.838 5.066 0.228 1.00 0.00 H new ATOM 0 HA GLN A 38 5.955 4.987 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.697 7.354 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.640 7.021 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.122 6.670 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.150 7.086 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.305 8.392 0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.791 10.077 0.309 1.00 0.00 H new ATOM 638 N THR A 39 8.669 4.238 -3.087 1.00 0.00 N ATOM 639 CA THR A 39 9.232 3.775 -4.318 1.00 0.00 C ATOM 640 C THR A 39 8.578 2.540 -4.837 1.00 0.00 C ATOM 641 O THR A 39 8.753 2.143 -5.989 1.00 0.00 O ATOM 642 CB THR A 39 10.715 3.569 -4.229 1.00 0.00 C ATOM 643 OG1 THR A 39 11.328 3.348 -5.492 1.00 0.00 O ATOM 644 CG2 THR A 39 11.071 2.354 -3.357 1.00 0.00 C ATOM 0 H THR A 39 9.208 3.949 -2.271 1.00 0.00 H new ATOM 0 HA THR A 39 9.037 4.576 -5.031 1.00 0.00 H new ATOM 0 HB THR A 39 11.088 4.495 -3.793 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.657 3.028 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.154 2.239 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.685 2.504 -2.349 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.626 1.456 -3.785 1.00 0.00 H new ATOM 652 N ALA A 40 7.743 1.857 -4.035 1.00 0.00 N ATOM 653 CA ALA A 40 7.004 0.714 -4.475 1.00 0.00 C ATOM 654 C ALA A 40 5.803 1.097 -5.270 1.00 0.00 C ATOM 655 O ALA A 40 5.214 0.290 -5.988 1.00 0.00 O ATOM 656 CB ALA A 40 6.589 -0.123 -3.253 1.00 0.00 C ATOM 0 H ALA A 40 7.577 2.104 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 40 7.647 0.125 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.025 -0.995 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.480 -0.449 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.967 0.481 -2.592 1.00 0.00 H new ATOM 662 N ILE A 41 5.409 2.379 -5.183 1.00 0.00 N ATOM 663 CA ILE A 41 4.307 2.970 -5.877 1.00 0.00 C ATOM 664 C ILE A 41 4.717 3.350 -7.258 1.00 0.00 C ATOM 665 O ILE A 41 5.696 4.063 -7.472 1.00 0.00 O ATOM 666 CB ILE A 41 3.771 4.153 -5.126 1.00 0.00 C ATOM 667 CG1 ILE A 41 3.395 3.760 -3.688 1.00 0.00 C ATOM 668 CG2 ILE A 41 2.558 4.750 -5.859 1.00 0.00 C ATOM 669 CD1 ILE A 41 3.040 4.952 -2.799 1.00 0.00 C ATOM 0 H ILE A 41 5.894 3.049 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 41 3.505 2.235 -5.946 1.00 0.00 H new ATOM 0 HB ILE A 41 4.553 4.911 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.548 3.075 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.228 3.218 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.181 5.607 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.857 5.070 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.774 3.997 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.786 4.598 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.893 5.627 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.187 5.482 -3.224 1.00 0.00 H new ATOM 681 N LYS A 42 3.992 2.851 -8.276 1.00 0.00 N ATOM 682 CA LYS A 42 4.367 2.978 -9.650 1.00 0.00 C ATOM 683 C LYS A 42 4.186 4.327 -10.255 1.00 0.00 C ATOM 684 O LYS A 42 3.587 5.242 -9.691 1.00 0.00 O ATOM 685 CB LYS A 42 3.688 1.868 -10.473 1.00 0.00 C ATOM 686 CG LYS A 42 2.170 2.007 -10.604 1.00 0.00 C ATOM 687 CD LYS A 42 1.481 0.695 -10.985 1.00 0.00 C ATOM 688 CE LYS A 42 1.865 0.137 -12.357 1.00 0.00 C ATOM 689 NZ LYS A 42 1.148 -1.136 -12.599 1.00 0.00 N ATOM 0 H LYS A 42 3.118 2.344 -8.138 1.00 0.00 H new ATOM 0 HA LYS A 42 5.449 2.852 -9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.126 1.855 -11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.913 0.905 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.760 2.365 -9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.943 2.762 -11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.713 -0.053 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.402 0.848 -10.961 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.617 0.858 -13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.942 -0.026 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.147 -1.346 -13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.625 -1.906 -12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.168 -1.052 -12.262 1.00 0.00 H new ATOM 904 N GLY A 54 -10.175 9.377 -0.663 1.00 0.00 N ATOM 905 CA GLY A 54 -10.931 9.714 0.504 1.00 0.00 C ATOM 906 C GLY A 54 -10.811 8.671 1.561 1.00 0.00 C ATOM 907 O GLY A 54 -9.792 7.997 1.701 1.00 0.00 O ATOM 0 HA2 GLY A 54 -10.586 10.671 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.980 9.839 0.234 1.00 0.00 H new ATOM 911 N ASP A 55 -11.869 8.478 2.368 1.00 0.00 N ATOM 912 CA ASP A 55 -11.878 7.479 3.391 1.00 0.00 C ATOM 913 C ASP A 55 -12.131 6.108 2.864 1.00 0.00 C ATOM 914 O ASP A 55 -13.079 5.845 2.127 1.00 0.00 O ATOM 915 CB ASP A 55 -12.828 7.873 4.535 1.00 0.00 C ATOM 916 CG ASP A 55 -14.256 8.148 4.085 1.00 0.00 C ATOM 917 OD1 ASP A 55 -14.481 9.123 3.320 1.00 0.00 O ATOM 918 OD2 ASP A 55 -15.179 7.389 4.484 1.00 0.00 O ATOM 0 H ASP A 55 -12.730 9.022 2.310 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.873 7.434 3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.839 7.074 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.436 8.762 5.030 1.00 0.00 H new ATOM 923 N GLY A 56 -11.242 5.152 3.190 1.00 0.00 N ATOM 924 CA GLY A 56 -11.400 3.763 2.889 1.00 0.00 C ATOM 925 C GLY A 56 -11.144 3.406 1.465 1.00 0.00 C ATOM 926 O GLY A 56 -11.785 2.503 0.928 1.00 0.00 O ATOM 0 H GLY A 56 -10.374 5.357 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.724 3.188 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.414 3.461 3.149 1.00 0.00 H new ATOM 930 N GLU A 57 -10.177 4.064 0.803 1.00 0.00 N ATOM 931 CA GLU A 57 -9.887 3.809 -0.574 1.00 0.00 C ATOM 932 C GLU A 57 -9.103 2.559 -0.791 1.00 0.00 C ATOM 933 O GLU A 57 -8.377 2.070 0.072 1.00 0.00 O ATOM 934 CB GLU A 57 -9.231 5.016 -1.264 1.00 0.00 C ATOM 935 CG GLU A 57 -7.750 5.227 -0.941 1.00 0.00 C ATOM 936 CD GLU A 57 -7.265 6.568 -1.473 1.00 0.00 C ATOM 937 OE1 GLU A 57 -7.699 7.624 -0.940 1.00 0.00 O ATOM 938 OE2 GLU A 57 -6.458 6.574 -2.442 1.00 0.00 O ATOM 0 H GLU A 57 -9.589 4.781 1.227 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.854 3.647 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.338 4.900 -2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.779 5.916 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.599 5.183 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.160 4.422 -1.379 1.00 0.00 H new ATOM 945 N THR A 58 -9.274 1.956 -1.981 1.00 0.00 N ATOM 946 CA THR A 58 -8.672 0.724 -2.387 1.00 0.00 C ATOM 947 C THR A 58 -7.403 0.931 -3.141 1.00 0.00 C ATOM 948 O THR A 58 -7.231 1.888 -3.893 1.00 0.00 O ATOM 949 CB THR A 58 -9.563 -0.116 -3.252 1.00 0.00 C ATOM 950 OG1 THR A 58 -10.321 0.669 -4.162 1.00 0.00 O ATOM 951 CG2 THR A 58 -10.545 -0.849 -2.322 1.00 0.00 C ATOM 0 H THR A 58 -9.871 2.355 -2.705 1.00 0.00 H new ATOM 0 HA THR A 58 -8.479 0.206 -1.447 1.00 0.00 H new ATOM 0 HB THR A 58 -8.943 -0.799 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.886 0.083 -4.707 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.212 -1.473 -2.917 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.988 -1.475 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.132 -0.119 -1.764 1.00 0.00 H new ATOM 959 N VAL A 59 -6.454 -0.004 -2.956 1.00 0.00 N ATOM 960 CA VAL A 59 -5.171 -0.009 -3.587 1.00 0.00 C ATOM 961 C VAL A 59 -4.880 -1.419 -3.970 1.00 0.00 C ATOM 962 O VAL A 59 -5.181 -2.328 -3.198 1.00 0.00 O ATOM 963 CB VAL A 59 -4.105 0.529 -2.678 1.00 0.00 C ATOM 964 CG1 VAL A 59 -2.698 0.444 -3.292 1.00 0.00 C ATOM 965 CG2 VAL A 59 -4.376 2.015 -2.383 1.00 0.00 C ATOM 0 H VAL A 59 -6.590 -0.799 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.180 0.639 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.137 -0.083 -1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.969 0.848 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.457 -0.597 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.669 1.021 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.600 2.402 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.372 2.578 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.348 2.119 -1.901 1.00 0.00 H new ATOM 975 N GLU A 60 -4.276 -1.672 -5.145 1.00 0.00 N ATOM 976 CA GLU A 60 -3.686 -2.939 -5.449 1.00 0.00 C ATOM 977 C GLU A 60 -2.234 -2.965 -5.119 1.00 0.00 C ATOM 978 O GLU A 60 -1.494 -2.005 -5.327 1.00 0.00 O ATOM 979 CB GLU A 60 -3.733 -3.356 -6.929 1.00 0.00 C ATOM 980 CG GLU A 60 -5.126 -3.660 -7.483 1.00 0.00 C ATOM 981 CD GLU A 60 -5.087 -3.817 -8.997 1.00 0.00 C ATOM 982 OE1 GLU A 60 -4.518 -4.820 -9.503 1.00 0.00 O ATOM 983 OE2 GLU A 60 -5.641 -2.925 -9.694 1.00 0.00 O ATOM 0 H GLU A 60 -4.196 -0.986 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.291 -3.618 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.289 -2.560 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.108 -4.240 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.511 -4.573 -7.029 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.812 -2.856 -7.214 1.00 0.00 H new ATOM 990 N PHE A 61 -1.807 -4.130 -4.600 1.00 0.00 N ATOM 991 CA PHE A 61 -0.468 -4.374 -4.161 1.00 0.00 C ATOM 992 C PHE A 61 -0.206 -5.840 -4.205 1.00 0.00 C ATOM 993 O PHE A 61 -1.106 -6.642 -4.455 1.00 0.00 O ATOM 994 CB PHE A 61 -0.206 -3.784 -2.765 1.00 0.00 C ATOM 995 CG PHE A 61 -1.271 -4.098 -1.770 1.00 0.00 C ATOM 996 CD1 PHE A 61 -2.416 -3.338 -1.722 1.00 0.00 C ATOM 997 CD2 PHE A 61 -1.138 -5.144 -0.887 1.00 0.00 C ATOM 998 CE1 PHE A 61 -3.431 -3.644 -0.848 1.00 0.00 C ATOM 999 CE2 PHE A 61 -2.128 -5.431 0.023 1.00 0.00 C ATOM 1000 CZ PHE A 61 -3.281 -4.684 0.040 1.00 0.00 C ATOM 0 H PHE A 61 -2.421 -4.936 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 61 0.226 -3.869 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.747 -4.161 -2.394 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.109 -2.702 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.519 -2.488 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.243 -5.749 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.345 -3.069 -0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.999 -6.243 0.724 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.065 -4.912 0.747 1.00 0.00 H new ATOM 1010 N ASP A 62 1.049 -6.264 -3.971 1.00 0.00 N ATOM 1011 CA ASP A 62 1.375 -7.613 -3.627 1.00 0.00 C ATOM 1012 C ASP A 62 1.544 -7.662 -2.147 1.00 0.00 C ATOM 1013 O ASP A 62 1.837 -6.636 -1.534 1.00 0.00 O ATOM 1014 CB ASP A 62 2.688 -8.037 -4.307 1.00 0.00 C ATOM 1015 CG ASP A 62 2.592 -8.135 -5.823 1.00 0.00 C ATOM 1016 OD1 ASP A 62 1.471 -8.160 -6.397 1.00 0.00 O ATOM 1017 OD2 ASP A 62 3.673 -8.233 -6.462 1.00 0.00 O ATOM 0 H ASP A 62 1.861 -5.649 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 62 0.587 -8.290 -3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.468 -7.321 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.997 -9.004 -3.909 1.00 0.00 H new ATOM 1022 N VAL A 63 1.389 -8.820 -1.480 1.00 0.00 N ATOM 1023 CA VAL A 63 1.670 -9.008 -0.091 1.00 0.00 C ATOM 1024 C VAL A 63 2.776 -10.003 0.009 1.00 0.00 C ATOM 1025 O VAL A 63 2.558 -11.212 0.071 1.00 0.00 O ATOM 1026 CB VAL A 63 0.502 -9.544 0.683 1.00 0.00 C ATOM 1027 CG1 VAL A 63 0.836 -9.701 2.175 1.00 0.00 C ATOM 1028 CG2 VAL A 63 -0.641 -8.523 0.555 1.00 0.00 C ATOM 0 H VAL A 63 1.050 -9.668 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 63 1.924 -8.036 0.332 1.00 0.00 H new ATOM 0 HB VAL A 63 0.233 -10.523 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.034 -10.091 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.671 -10.392 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.108 -8.731 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.511 -8.879 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.320 -7.565 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.903 -8.400 -0.496 1.00 0.00 H new ATOM 1038 N VAL A 64 4.035 -9.529 0.006 1.00 0.00 N ATOM 1039 CA VAL A 64 5.151 -10.393 -0.226 1.00 0.00 C ATOM 1040 C VAL A 64 6.094 -10.246 0.919 1.00 0.00 C ATOM 1041 O VAL A 64 6.289 -9.153 1.448 1.00 0.00 O ATOM 1042 CB VAL A 64 5.788 -10.125 -1.558 1.00 0.00 C ATOM 1043 CG1 VAL A 64 4.980 -10.849 -2.648 1.00 0.00 C ATOM 1044 CG2 VAL A 64 5.837 -8.618 -1.861 1.00 0.00 C ATOM 0 H VAL A 64 4.280 -8.551 0.164 1.00 0.00 H new ATOM 0 HA VAL A 64 4.825 -11.432 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 64 6.813 -10.494 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.433 -10.662 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.978 -11.921 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.955 -10.478 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.304 -8.457 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.824 -8.216 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.418 -8.111 -1.091 1.00 0.00 H new ATOM 1054 N GLU A 65 6.698 -11.340 1.420 1.00 0.00 N ATOM 1055 CA GLU A 65 7.528 -11.304 2.583 1.00 0.00 C ATOM 1056 C GLU A 65 8.712 -10.403 2.499 1.00 0.00 C ATOM 1057 O GLU A 65 9.526 -10.457 1.579 1.00 0.00 O ATOM 1058 CB GLU A 65 8.045 -12.704 2.956 1.00 0.00 C ATOM 1059 CG GLU A 65 8.825 -12.810 4.268 1.00 0.00 C ATOM 1060 CD GLU A 65 9.649 -14.089 4.312 1.00 0.00 C ATOM 1061 OE1 GLU A 65 9.402 -15.025 3.506 1.00 0.00 O ATOM 1062 OE2 GLU A 65 10.615 -14.152 5.119 1.00 0.00 O ATOM 0 H GLU A 65 6.607 -12.268 1.008 1.00 0.00 H new ATOM 0 HA GLU A 65 6.860 -10.902 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.192 -13.381 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.684 -13.059 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.482 -11.947 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.132 -12.790 5.109 1.00 0.00 H new ATOM 1069 N GLY A 66 8.840 -9.534 3.517 1.00 0.00 N ATOM 1070 CA GLY A 66 9.932 -8.629 3.699 1.00 0.00 C ATOM 1071 C GLY A 66 10.680 -8.936 4.951 1.00 0.00 C ATOM 1072 O GLY A 66 11.347 -9.964 5.056 1.00 0.00 O ATOM 0 H GLY A 66 8.141 -9.459 4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.606 -8.691 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.558 -7.606 3.737 1.00 0.00 H new ATOM 1076 N GLU A 67 10.618 -8.040 5.952 1.00 0.00 N ATOM 1077 CA GLU A 67 11.350 -8.130 7.178 1.00 0.00 C ATOM 1078 C GLU A 67 10.481 -8.477 8.339 1.00 0.00 C ATOM 1079 O GLU A 67 10.250 -9.649 8.630 1.00 0.00 O ATOM 1080 CB GLU A 67 12.218 -6.877 7.381 1.00 0.00 C ATOM 1081 CG GLU A 67 11.584 -5.536 7.004 1.00 0.00 C ATOM 1082 CD GLU A 67 12.574 -4.382 7.083 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.276 -4.108 6.073 1.00 0.00 O ATOM 1084 OE2 GLU A 67 12.639 -3.705 8.144 1.00 0.00 O ATOM 0 H GLU A 67 10.027 -7.210 5.904 1.00 0.00 H new ATOM 0 HA GLU A 67 12.041 -8.970 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.512 -6.832 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.132 -6.998 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.183 -5.599 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.743 -5.336 7.668 1.00 0.00 H new ATOM 1091 N LYS A 68 9.893 -7.502 9.053 1.00 0.00 N ATOM 1092 CA LYS A 68 9.069 -7.706 10.205 1.00 0.00 C ATOM 1093 C LYS A 68 7.668 -8.121 9.915 1.00 0.00 C ATOM 1094 O LYS A 68 6.813 -8.153 10.799 1.00 0.00 O ATOM 1095 CB LYS A 68 9.026 -6.405 11.025 1.00 0.00 C ATOM 1096 CG LYS A 68 8.367 -5.233 10.296 1.00 0.00 C ATOM 1097 CD LYS A 68 8.408 -3.910 11.063 1.00 0.00 C ATOM 1098 CE LYS A 68 7.328 -3.754 12.136 1.00 0.00 C ATOM 1099 NZ LYS A 68 7.366 -2.367 12.653 1.00 0.00 N ATOM 0 H LYS A 68 9.998 -6.516 8.814 1.00 0.00 H new ATOM 0 HA LYS A 68 9.526 -8.533 10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.488 -6.591 11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.044 -6.125 11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.859 -5.096 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.327 -5.487 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.386 -3.810 11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.313 -3.091 10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.346 -3.974 11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.496 -4.464 12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.636 -2.249 13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.302 -2.175 13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.187 -1.701 11.874 1.00 0.00 H new ATOM 1113 N GLY A 69 7.344 -8.468 8.656 1.00 0.00 N ATOM 1114 CA GLY A 69 6.025 -8.744 8.177 1.00 0.00 C ATOM 1115 C GLY A 69 6.083 -8.703 6.689 1.00 0.00 C ATOM 1116 O GLY A 69 7.160 -8.662 6.097 1.00 0.00 O ATOM 0 H GLY A 69 8.050 -8.562 7.926 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.686 -9.721 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.316 -8.008 8.555 1.00 0.00 H new ATOM 1120 N ALA A 70 4.916 -8.670 6.020 1.00 0.00 N ATOM 1121 CA ALA A 70 4.866 -8.548 4.596 1.00 0.00 C ATOM 1122 C ALA A 70 5.070 -7.155 4.105 1.00 0.00 C ATOM 1123 O ALA A 70 4.859 -6.174 4.815 1.00 0.00 O ATOM 1124 CB ALA A 70 3.539 -9.128 4.080 1.00 0.00 C ATOM 0 H ALA A 70 4.002 -8.728 6.469 1.00 0.00 H new ATOM 0 HA ALA A 70 5.703 -9.119 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.499 -9.036 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.469 -10.180 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.706 -8.580 4.521 1.00 0.00 H new ATOM 1130 N GLU A 71 5.522 -7.014 2.846 1.00 0.00 N ATOM 1131 CA GLU A 71 5.666 -5.774 2.148 1.00 0.00 C ATOM 1132 C GLU A 71 4.926 -5.793 0.855 1.00 0.00 C ATOM 1133 O GLU A 71 4.154 -6.712 0.584 1.00 0.00 O ATOM 1134 CB GLU A 71 7.148 -5.418 1.944 1.00 0.00 C ATOM 1135 CG GLU A 71 7.968 -6.230 0.939 1.00 0.00 C ATOM 1136 CD GLU A 71 9.370 -5.657 0.787 1.00 0.00 C ATOM 1137 OE1 GLU A 71 9.504 -4.454 0.438 1.00 0.00 O ATOM 1138 OE2 GLU A 71 10.369 -6.391 1.014 1.00 0.00 O ATOM 0 H GLU A 71 5.804 -7.815 2.281 1.00 0.00 H new ATOM 0 HA GLU A 71 5.224 -4.992 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.198 -4.372 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.642 -5.495 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.029 -7.267 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.465 -6.232 -0.028 1.00 0.00 H new ATOM 1145 N ALA A 72 5.093 -4.757 0.012 1.00 0.00 N ATOM 1146 CA ALA A 72 4.189 -4.481 -1.061 1.00 0.00 C ATOM 1147 C ALA A 72 4.936 -3.979 -2.248 1.00 0.00 C ATOM 1148 O ALA A 72 5.898 -3.218 -2.156 1.00 0.00 O ATOM 1149 CB ALA A 72 3.176 -3.413 -0.618 1.00 0.00 C ATOM 0 H ALA A 72 5.870 -4.100 0.077 1.00 0.00 H new ATOM 0 HA ALA A 72 3.668 -5.401 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.487 -3.203 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.616 -3.778 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.705 -2.500 -0.346 1.00 0.00 H new ATOM 1155 N ALA A 73 4.495 -4.442 -3.431 1.00 0.00 N ATOM 1156 CA ALA A 73 5.157 -4.214 -4.679 1.00 0.00 C ATOM 1157 C ALA A 73 4.168 -3.900 -5.748 1.00 0.00 C ATOM 1158 O ALA A 73 3.020 -4.340 -5.708 1.00 0.00 O ATOM 1159 CB ALA A 73 5.999 -5.444 -5.062 1.00 0.00 C ATOM 0 H ALA A 73 3.644 -4.997 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 73 5.821 -3.357 -4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.499 -5.261 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.745 -5.629 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.350 -6.315 -5.155 1.00 0.00 H new ATOM 1165 N ASN A 74 4.590 -3.082 -6.729 1.00 0.00 N ATOM 1166 CA ASN A 74 3.824 -2.572 -7.823 1.00 0.00 C ATOM 1167 C ASN A 74 2.560 -1.898 -7.411 1.00 0.00 C ATOM 1168 O ASN A 74 1.459 -2.174 -7.884 1.00 0.00 O ATOM 1169 CB ASN A 74 3.630 -3.654 -8.898 1.00 0.00 C ATOM 1170 CG ASN A 74 3.590 -3.098 -10.315 1.00 0.00 C ATOM 1171 OD1 ASN A 74 2.547 -2.891 -10.933 1.00 0.00 O ATOM 1172 ND2 ASN A 74 4.803 -2.873 -10.886 1.00 0.00 N ATOM 0 H ASN A 74 5.554 -2.749 -6.757 1.00 0.00 H new ATOM 0 HA ASN A 74 4.404 -1.768 -8.276 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.440 -4.380 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.702 -4.190 -8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.859 -2.526 -11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.657 -3.051 -10.357 1.00 0.00 H new ATOM 1179 N VAL A 75 2.680 -0.959 -6.456 1.00 0.00 N ATOM 1180 CA VAL A 75 1.572 -0.429 -5.725 1.00 0.00 C ATOM 1181 C VAL A 75 0.819 0.578 -6.524 1.00 0.00 C ATOM 1182 O VAL A 75 1.373 1.536 -7.061 1.00 0.00 O ATOM 1183 CB VAL A 75 2.004 0.089 -4.385 1.00 0.00 C ATOM 1184 CG1 VAL A 75 0.789 0.507 -3.540 1.00 0.00 C ATOM 1185 CG2 VAL A 75 2.797 -1.006 -3.653 1.00 0.00 C ATOM 0 H VAL A 75 3.577 -0.556 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 75 0.874 -1.243 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 75 2.632 0.967 -4.533 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.129 0.879 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.238 1.292 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.137 -0.354 -3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.114 -0.636 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.166 -1.885 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.674 -1.275 -4.242 1.00 0.00 H new ATOM 1195 N THR A 76 -0.496 0.348 -6.693 1.00 0.00 N ATOM 1196 CA THR A 76 -1.323 1.085 -7.598 1.00 0.00 C ATOM 1197 C THR A 76 -2.333 1.890 -6.853 1.00 0.00 C ATOM 1198 O THR A 76 -1.968 2.723 -6.024 1.00 0.00 O ATOM 1199 CB THR A 76 -1.904 0.220 -8.676 1.00 0.00 C ATOM 1200 OG1 THR A 76 -0.906 -0.639 -9.207 1.00 0.00 O ATOM 1201 CG2 THR A 76 -2.380 1.067 -9.869 1.00 0.00 C ATOM 0 H THR A 76 -1.001 -0.376 -6.182 1.00 0.00 H new ATOM 0 HA THR A 76 -0.695 1.798 -8.132 1.00 0.00 H new ATOM 0 HB THR A 76 -2.728 -0.331 -8.222 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.297 -1.200 -9.909 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.797 0.414 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.145 1.768 -9.535 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.536 1.620 -10.283 1.00 0.00 H new ATOM 1209 N GLY A 77 -3.644 1.712 -7.090 1.00 0.00 N ATOM 1210 CA GLY A 77 -4.671 2.560 -6.568 1.00 0.00 C ATOM 1211 C GLY A 77 -5.507 3.170 -7.639 1.00 0.00 C ATOM 1212 O GLY A 77 -6.578 2.630 -7.912 1.00 0.00 O ATOM 0 H GLY A 77 -4.003 0.950 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.309 1.983 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.216 3.351 -5.972 1.00 0.00 H new