USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 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 22 HIS : no HE2:sc= -1.24 K(o=-0.55,f=-1.9) USER MOD Set 1.2: A 77 SER OG : rot 105:sc= 0.689 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.375 USER MOD Single : A 24 ASN : amide:sc= -3.34! C(o=-3.3!,f=-7.1!) USER MOD Single : A 26 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.13) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.69) USER MOD Single : A 32 THR OG1 : rot -96:sc= -0.78 USER MOD Single : A 33 LYS NZ :NH3+ -103:sc= -1.39 (180deg=-2.93!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 40 CYS SG : rot -21:sc= -1.9! USER MOD Single : A 42 GLN : amide:sc= -3.57! K(o=-3.6!,f=-0.13) USER MOD Single : A 43 LYS NZ :NH3+ -106:sc= -0.743 (180deg=-3.68!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.01) USER MOD Single : A 70 THR OG1 : rot 90:sc= -0.31 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -153:sc= -2.92! USER MOD Single : A 87 GLN : amide:sc= -3.5! K(o=-3.5!,f=-0.19) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -0.0385 (180deg=-0.239) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -46:sc= 0.895 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.448 3.351 -15.373 1.00 0.00 N ATOM 20 CA TYR A 3 4.153 2.968 -14.823 1.00 0.00 C ATOM 21 C TYR A 3 3.517 4.135 -14.071 1.00 0.00 C ATOM 22 O TYR A 3 2.549 4.731 -14.541 1.00 0.00 O ATOM 23 CB TYR A 3 4.311 1.765 -13.890 1.00 0.00 C ATOM 24 CG TYR A 3 2.999 1.208 -13.384 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.262 0.313 -14.149 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.499 1.575 -12.140 1.00 0.00 C ATOM 27 CE1 TYR A 3 1.064 -0.201 -13.690 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.302 1.065 -11.675 1.00 0.00 C ATOM 29 CZ TYR A 3 0.589 0.178 -12.453 1.00 0.00 C ATOM 30 OH TYR A 3 -0.604 -0.330 -11.992 1.00 0.00 O ATOM 0 HA TYR A 3 3.498 2.693 -15.649 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.850 0.977 -14.416 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.924 2.057 -13.037 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.631 0.014 -15.119 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.055 2.270 -11.527 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.503 -0.896 -14.297 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.927 1.360 -10.706 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.794 0.037 -11.104 1.00 0.00 H new ATOM 40 N TRP A 4 4.084 4.457 -12.910 1.00 0.00 N ATOM 41 CA TRP A 4 3.578 5.555 -12.086 1.00 0.00 C ATOM 42 C TRP A 4 2.057 5.495 -11.921 1.00 0.00 C ATOM 43 O TRP A 4 1.315 5.952 -12.790 1.00 0.00 O ATOM 44 CB TRP A 4 3.977 6.903 -12.690 1.00 0.00 C ATOM 45 CG TRP A 4 3.679 8.060 -11.785 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.651 8.951 -11.899 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.417 8.443 -10.621 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.707 9.867 -10.876 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.784 9.576 -10.078 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.554 7.937 -9.987 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.251 10.210 -8.928 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.015 8.567 -8.846 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.365 9.691 -8.327 1.00 0.00 C ATOM 0 H TRP A 4 4.893 3.975 -12.518 1.00 0.00 H new ATOM 0 HA TRP A 4 4.027 5.449 -11.099 1.00 0.00 H new ATOM 0 HB2 TRP A 4 5.043 6.892 -12.918 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.451 7.042 -13.634 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.904 8.938 -12.679 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.054 10.638 -10.733 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.063 7.070 -10.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.752 11.079 -8.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.893 8.184 -8.347 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.750 10.159 -7.433 1.00 0.00 H new ATOM 64 N PRO A 5 1.572 4.937 -10.796 1.00 0.00 N ATOM 65 CA PRO A 5 0.132 4.835 -10.528 1.00 0.00 C ATOM 66 C PRO A 5 -0.537 6.206 -10.490 1.00 0.00 C ATOM 67 O PRO A 5 0.131 7.227 -10.330 1.00 0.00 O ATOM 68 CB PRO A 5 0.061 4.169 -9.149 1.00 0.00 C ATOM 69 CG PRO A 5 1.386 3.510 -8.965 1.00 0.00 C ATOM 70 CD PRO A 5 2.376 4.361 -9.706 1.00 0.00 C ATOM 0 HA PRO A 5 -0.388 4.276 -11.306 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.126 4.904 -8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.750 3.442 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.644 3.441 -7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.374 2.493 -9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.801 5.135 -9.066 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.209 3.771 -10.088 1.00 0.00 H new ATOM 78 N ALA A 6 -1.858 6.222 -10.637 1.00 0.00 N ATOM 79 CA ALA A 6 -2.608 7.472 -10.617 1.00 0.00 C ATOM 80 C ALA A 6 -2.644 8.068 -9.213 1.00 0.00 C ATOM 81 O ALA A 6 -2.097 7.494 -8.272 1.00 0.00 O ATOM 82 CB ALA A 6 -4.018 7.251 -11.140 1.00 0.00 C ATOM 0 H ALA A 6 -2.429 5.387 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.101 8.183 -11.270 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.566 8.193 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.972 6.881 -12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.529 6.520 -10.512 1.00 0.00 H new ATOM 88 N ARG A 7 -3.293 9.221 -9.080 1.00 0.00 N ATOM 89 CA ARG A 7 -3.395 9.894 -7.790 1.00 0.00 C ATOM 90 C ARG A 7 -4.606 9.402 -7.002 1.00 0.00 C ATOM 91 O ARG A 7 -5.705 9.281 -7.546 1.00 0.00 O ATOM 92 CB ARG A 7 -3.479 11.409 -7.984 1.00 0.00 C ATOM 93 CG ARG A 7 -2.240 12.009 -8.626 1.00 0.00 C ATOM 94 CD ARG A 7 -2.342 13.522 -8.727 1.00 0.00 C ATOM 95 NE ARG A 7 -1.137 14.114 -9.302 1.00 0.00 N ATOM 96 CZ ARG A 7 -0.864 15.414 -9.263 1.00 0.00 C ATOM 97 NH1 ARG A 7 -1.707 16.256 -8.680 1.00 0.00 N ATOM 98 NH2 ARG A 7 0.254 15.875 -9.808 1.00 0.00 N ATOM 0 H ARG A 7 -3.755 9.708 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.497 9.656 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.347 11.640 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.642 11.882 -7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.360 11.741 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.103 11.585 -9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.204 13.787 -9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.514 13.941 -7.736 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.467 13.495 -9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.568 15.906 -8.260 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.494 17.253 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.905 15.231 -10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.462 16.873 -9.777 1.00 0.00 H new ATOM 112 N HIS A 8 -4.392 9.118 -5.717 1.00 0.00 N ATOM 113 CA HIS A 8 -5.460 8.638 -4.843 1.00 0.00 C ATOM 114 C HIS A 8 -6.061 7.340 -5.375 1.00 0.00 C ATOM 115 O HIS A 8 -7.088 6.873 -4.881 1.00 0.00 O ATOM 116 CB HIS A 8 -6.552 9.700 -4.702 1.00 0.00 C ATOM 117 CG HIS A 8 -6.068 10.981 -4.096 1.00 0.00 C ATOM 118 ND1 HIS A 8 -6.270 11.311 -2.771 1.00 0.00 N ATOM 119 CD2 HIS A 8 -5.388 12.018 -4.640 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.736 12.494 -2.528 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.195 12.944 -3.645 1.00 0.00 N ATOM 0 H HIS A 8 -3.486 9.213 -5.258 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.028 8.440 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.973 9.909 -5.686 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.359 9.300 -4.089 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.059 12.101 -5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.741 13.006 -1.577 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.712 13.836 -3.752 1.00 0.00 H new ATOM 130 N SER A 9 -5.414 6.762 -6.381 1.00 0.00 N ATOM 131 CA SER A 9 -5.887 5.519 -6.976 1.00 0.00 C ATOM 132 C SER A 9 -5.647 4.346 -6.036 1.00 0.00 C ATOM 133 O SER A 9 -4.866 4.446 -5.090 1.00 0.00 O ATOM 134 CB SER A 9 -5.184 5.268 -8.312 1.00 0.00 C ATOM 135 OG SER A 9 -3.780 5.176 -8.141 1.00 0.00 O ATOM 0 H SER A 9 -4.562 7.134 -6.801 1.00 0.00 H new ATOM 0 HA SER A 9 -6.959 5.612 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.560 4.347 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.417 6.076 -9.006 1.00 0.00 H new ATOM 0 HG SER A 9 -3.369 4.858 -8.972 1.00 0.00 H new ATOM 141 N GLY A 10 -6.325 3.234 -6.302 1.00 0.00 N ATOM 142 CA GLY A 10 -6.172 2.060 -5.465 1.00 0.00 C ATOM 143 C GLY A 10 -4.743 1.554 -5.425 1.00 0.00 C ATOM 144 O GLY A 10 -4.170 1.384 -4.351 1.00 0.00 O ATOM 0 H GLY A 10 -6.976 3.126 -7.080 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.498 2.296 -4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.824 1.268 -5.834 1.00 0.00 H new ATOM 148 N ALA A 11 -4.165 1.323 -6.599 1.00 0.00 N ATOM 149 CA ALA A 11 -2.797 0.823 -6.691 1.00 0.00 C ATOM 150 C ALA A 11 -1.811 1.727 -5.951 1.00 0.00 C ATOM 151 O ALA A 11 -0.812 1.253 -5.407 1.00 0.00 O ATOM 152 CB ALA A 11 -2.394 0.671 -8.150 1.00 0.00 C ATOM 0 H ALA A 11 -4.621 1.474 -7.499 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.765 -0.154 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.372 0.297 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.066 -0.032 -8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.455 1.639 -8.647 1.00 0.00 H new ATOM 158 N ARG A 12 -2.092 3.029 -5.929 1.00 0.00 N ATOM 159 CA ARG A 12 -1.215 3.972 -5.248 1.00 0.00 C ATOM 160 C ARG A 12 -1.328 3.828 -3.743 1.00 0.00 C ATOM 161 O ARG A 12 -0.336 3.609 -3.047 1.00 0.00 O ATOM 162 CB ARG A 12 -1.569 5.411 -5.632 1.00 0.00 C ATOM 163 CG ARG A 12 -1.034 6.445 -4.654 1.00 0.00 C ATOM 164 CD ARG A 12 -1.368 7.866 -5.081 1.00 0.00 C ATOM 165 NE ARG A 12 -0.755 8.852 -4.192 1.00 0.00 N ATOM 166 CZ ARG A 12 -1.049 10.149 -4.207 1.00 0.00 C ATOM 167 NH1 ARG A 12 -1.949 10.621 -5.056 1.00 0.00 N ATOM 168 NH2 ARG A 12 -0.441 10.976 -3.366 1.00 0.00 N ATOM 0 H ARG A 12 -2.911 3.448 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.194 3.750 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.173 5.622 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.653 5.507 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.451 6.257 -3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.047 6.337 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.023 8.031 -6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.450 8.001 -5.085 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.060 8.526 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.421 9.989 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.171 11.617 -5.063 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.251 10.617 -2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.666 11.971 -3.377 1.00 0.00 H new ATOM 182 N VAL A 13 -2.550 3.956 -3.255 1.00 0.00 N ATOM 183 CA VAL A 13 -2.805 3.874 -1.833 1.00 0.00 C ATOM 184 C VAL A 13 -2.261 2.587 -1.223 1.00 0.00 C ATOM 185 O VAL A 13 -1.773 2.590 -0.094 1.00 0.00 O ATOM 186 CB VAL A 13 -4.313 3.965 -1.526 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.571 3.785 -0.039 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.883 5.285 -2.011 1.00 0.00 C ATOM 0 H VAL A 13 -3.380 4.117 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.287 4.722 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.816 3.160 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.641 3.853 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.206 2.808 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.051 4.565 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.948 5.327 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.373 6.108 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.738 5.370 -3.088 1.00 0.00 H new ATOM 198 N ILE A 14 -2.338 1.491 -1.970 1.00 0.00 N ATOM 199 CA ILE A 14 -1.879 0.210 -1.457 1.00 0.00 C ATOM 200 C ILE A 14 -0.351 0.128 -1.348 1.00 0.00 C ATOM 201 O ILE A 14 0.174 -0.188 -0.288 1.00 0.00 O ATOM 202 CB ILE A 14 -2.412 -0.969 -2.303 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.822 -0.959 -3.715 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.930 -0.931 -2.369 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.294 -2.108 -4.580 1.00 0.00 C ATOM 0 H ILE A 14 -2.709 1.465 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.287 0.131 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.100 -1.893 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.082 -0.019 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.735 -0.991 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.289 -1.768 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.340 -1.004 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.251 0.006 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.834 -2.034 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.010 -3.053 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.378 -2.065 -4.682 1.00 0.00 H new ATOM 217 N LEU A 15 0.365 0.412 -2.430 1.00 0.00 N ATOM 218 CA LEU A 15 1.823 0.322 -2.359 1.00 0.00 C ATOM 219 C LEU A 15 2.404 1.301 -1.338 1.00 0.00 C ATOM 220 O LEU A 15 3.410 1.010 -0.693 1.00 0.00 O ATOM 221 CB LEU A 15 2.444 0.562 -3.736 1.00 0.00 C ATOM 222 CG LEU A 15 1.921 -0.354 -4.841 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.152 0.270 -6.205 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.592 -1.716 -4.760 1.00 0.00 C ATOM 0 H LEU A 15 -0.017 0.695 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 15 2.071 -0.687 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.264 1.597 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.524 0.436 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 15 0.848 -0.486 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.773 -0.397 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.630 1.225 -6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.220 0.431 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.209 -2.358 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.669 -1.598 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.379 -2.170 -3.792 1.00 0.00 H new ATOM 236 N LEU A 16 1.760 2.451 -1.179 1.00 0.00 N ATOM 237 CA LEU A 16 2.241 3.452 -0.250 1.00 0.00 C ATOM 238 C LEU A 16 1.987 3.024 1.190 1.00 0.00 C ATOM 239 O LEU A 16 2.836 3.181 2.075 1.00 0.00 O ATOM 240 CB LEU A 16 1.531 4.768 -0.533 1.00 0.00 C ATOM 241 CG LEU A 16 1.843 5.878 0.451 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.308 6.269 0.363 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.944 7.072 0.192 1.00 0.00 C ATOM 0 H LEU A 16 0.909 2.708 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 16 3.316 3.572 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.800 5.102 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.455 4.592 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 16 1.652 5.518 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.515 7.067 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.930 5.404 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.532 6.616 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.176 7.864 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.107 7.437 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.098 6.775 0.307 1.00 0.00 H new ATOM 255 N VAL A 17 0.806 2.480 1.414 1.00 0.00 N ATOM 256 CA VAL A 17 0.417 2.032 2.734 1.00 0.00 C ATOM 257 C VAL A 17 1.183 0.774 3.137 1.00 0.00 C ATOM 258 O VAL A 17 1.607 0.641 4.284 1.00 0.00 O ATOM 259 CB VAL A 17 -1.099 1.810 2.795 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.519 0.553 2.063 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.579 1.781 4.228 1.00 0.00 C ATOM 0 H VAL A 17 0.098 2.338 0.694 1.00 0.00 H new ATOM 0 HA VAL A 17 0.675 2.810 3.452 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.569 2.652 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.600 0.436 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.229 0.628 1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.031 -0.311 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.657 1.622 4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.083 0.970 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.343 2.730 4.710 1.00 0.00 H new ATOM 271 N LEU A 18 1.354 -0.151 2.195 1.00 0.00 N ATOM 272 CA LEU A 18 2.121 -1.353 2.473 1.00 0.00 C ATOM 273 C LEU A 18 3.557 -0.961 2.760 1.00 0.00 C ATOM 274 O LEU A 18 4.271 -1.639 3.495 1.00 0.00 O ATOM 275 CB LEU A 18 2.081 -2.306 1.277 1.00 0.00 C ATOM 276 CG LEU A 18 0.896 -3.262 1.231 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.016 -4.309 2.325 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.421 -2.521 1.360 1.00 0.00 C ATOM 0 H LEU A 18 0.977 -0.090 1.249 1.00 0.00 H new ATOM 0 HA LEU A 18 1.689 -1.862 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.080 -1.712 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.999 -2.894 1.274 1.00 0.00 H new ATOM 0 HG LEU A 18 0.909 -3.758 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.161 -4.984 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.935 -4.877 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.037 -3.818 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.245 -3.234 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.446 -1.986 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.520 -1.810 0.540 1.00 0.00 H new ATOM 290 N TYR A 19 3.959 0.154 2.164 1.00 0.00 N ATOM 291 CA TYR A 19 5.313 0.672 2.329 1.00 0.00 C ATOM 292 C TYR A 19 5.664 0.850 3.796 1.00 0.00 C ATOM 293 O TYR A 19 6.592 0.215 4.295 1.00 0.00 O ATOM 294 CB TYR A 19 5.453 2.004 1.585 1.00 0.00 C ATOM 295 CG TYR A 19 6.788 2.693 1.768 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.900 2.311 1.029 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.927 3.738 2.673 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.116 2.952 1.189 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.138 4.382 2.839 1.00 0.00 C ATOM 300 CZ TYR A 19 9.228 3.986 2.095 1.00 0.00 C ATOM 301 OH TYR A 19 10.436 4.626 2.260 1.00 0.00 O ATOM 0 H TYR A 19 3.364 0.720 1.559 1.00 0.00 H new ATOM 0 HA TYR A 19 6.009 -0.054 1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.293 1.829 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.663 2.677 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.815 1.502 0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.074 4.052 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.973 2.644 0.608 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.230 5.191 3.548 1.00 0.00 H new ATOM 0 HH TYR A 19 10.343 5.331 2.935 1.00 0.00 H new ATOM 311 N ARG A 20 4.905 1.684 4.497 1.00 0.00 N ATOM 312 CA ARG A 20 5.193 1.914 5.909 1.00 0.00 C ATOM 313 C ARG A 20 5.158 0.613 6.720 1.00 0.00 C ATOM 314 O ARG A 20 6.125 0.282 7.407 1.00 0.00 O ATOM 315 CB ARG A 20 4.227 2.947 6.496 1.00 0.00 C ATOM 316 CG ARG A 20 2.760 2.622 6.278 1.00 0.00 C ATOM 317 CD ARG A 20 1.878 3.810 6.615 1.00 0.00 C ATOM 318 NE ARG A 20 0.457 3.494 6.485 1.00 0.00 N ATOM 319 CZ ARG A 20 -0.517 4.365 6.731 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.226 5.601 7.114 1.00 0.00 N ATOM 321 NH2 ARG A 20 -1.785 4.001 6.594 1.00 0.00 N ATOM 0 H ARG A 20 4.107 2.200 4.125 1.00 0.00 H new ATOM 0 HA ARG A 20 6.207 2.309 5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.413 3.035 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.441 3.920 6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.600 2.330 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.478 1.770 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.085 4.137 7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.125 4.643 5.957 1.00 0.00 H new ATOM 0 HE ARG A 20 0.198 2.553 6.189 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.748 5.886 7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.976 6.267 7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.014 3.052 6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.531 4.670 6.783 1.00 0.00 H new ATOM 335 N GLU A 21 4.054 -0.122 6.628 1.00 0.00 N ATOM 336 CA GLU A 21 3.946 -1.369 7.385 1.00 0.00 C ATOM 337 C GLU A 21 5.046 -2.358 7.003 1.00 0.00 C ATOM 338 O GLU A 21 5.460 -3.181 7.817 1.00 0.00 O ATOM 339 CB GLU A 21 2.576 -2.008 7.182 1.00 0.00 C ATOM 340 CG GLU A 21 2.310 -3.161 8.134 1.00 0.00 C ATOM 341 CD GLU A 21 2.443 -2.761 9.590 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.460 -2.236 10.153 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.530 -2.972 10.167 1.00 0.00 O ATOM 0 H GLU A 21 3.243 0.112 6.056 1.00 0.00 H new ATOM 0 HA GLU A 21 4.068 -1.119 8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.805 -1.249 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.497 -2.366 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.306 -3.548 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.006 -3.972 7.919 1.00 0.00 H new ATOM 350 N HIS A 22 5.514 -2.280 5.765 1.00 0.00 N ATOM 351 CA HIS A 22 6.568 -3.183 5.319 1.00 0.00 C ATOM 352 C HIS A 22 7.871 -2.888 6.049 1.00 0.00 C ATOM 353 O HIS A 22 8.553 -3.796 6.521 1.00 0.00 O ATOM 354 CB HIS A 22 6.774 -3.048 3.811 1.00 0.00 C ATOM 355 CG HIS A 22 7.981 -3.767 3.285 1.00 0.00 C ATOM 356 ND1 HIS A 22 7.907 -4.952 2.584 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.298 -3.448 3.341 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.123 -5.331 2.233 1.00 0.00 C ATOM 359 NE2 HIS A 22 9.984 -4.436 2.680 1.00 0.00 N ATOM 0 H HIS A 22 5.189 -1.615 5.063 1.00 0.00 H new ATOM 0 HA HIS A 22 6.265 -4.205 5.547 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.889 -3.427 3.300 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.858 -1.990 3.561 1.00 0.00 H new ATOM 0 HD1 HIS A 22 7.047 -5.457 2.370 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.727 -2.579 3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.371 -6.222 1.675 1.00 0.00 H new ATOM 368 N LEU A 23 8.204 -1.609 6.137 1.00 0.00 N ATOM 369 CA LEU A 23 9.429 -1.184 6.797 1.00 0.00 C ATOM 370 C LEU A 23 9.257 -1.143 8.311 1.00 0.00 C ATOM 371 O LEU A 23 10.127 -0.648 9.023 1.00 0.00 O ATOM 372 CB LEU A 23 9.840 0.191 6.275 1.00 0.00 C ATOM 373 CG LEU A 23 9.891 0.300 4.752 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.078 1.490 4.273 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.329 0.407 4.274 1.00 0.00 C ATOM 0 H LEU A 23 7.642 -0.846 5.759 1.00 0.00 H new ATOM 0 HA LEU A 23 10.211 -1.909 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.141 0.935 6.657 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.822 0.440 6.678 1.00 0.00 H new ATOM 0 HG LEU A 23 9.454 -0.604 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.127 1.550 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.040 1.370 4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.483 2.405 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.346 0.484 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.792 1.294 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.882 -0.479 4.584 1.00 0.00 H new ATOM 387 N ASN A 24 8.133 -1.668 8.796 1.00 0.00 N ATOM 388 CA ASN A 24 7.858 -1.689 10.228 1.00 0.00 C ATOM 389 C ASN A 24 8.623 -2.802 10.941 1.00 0.00 C ATOM 390 O ASN A 24 8.314 -3.983 10.773 1.00 0.00 O ATOM 391 CB ASN A 24 6.362 -1.857 10.488 1.00 0.00 C ATOM 392 CG ASN A 24 5.668 -0.524 10.654 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.140 0.043 9.700 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.677 -0.007 11.873 1.00 0.00 N ATOM 0 H ASN A 24 7.401 -2.083 8.219 1.00 0.00 H new ATOM 0 HA ASN A 24 8.194 -0.732 10.628 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.908 -2.403 9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.214 -2.458 11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.234 0.895 12.048 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.127 -0.511 12.637 1.00 0.00 H new ATOM 401 N PRO A 25 9.636 -2.438 11.749 1.00 0.00 N ATOM 402 CA PRO A 25 10.427 -3.407 12.511 1.00 0.00 C ATOM 403 C PRO A 25 9.604 -4.040 13.621 1.00 0.00 C ATOM 404 O PRO A 25 9.656 -5.250 13.843 1.00 0.00 O ATOM 405 CB PRO A 25 11.559 -2.572 13.123 1.00 0.00 C ATOM 406 CG PRO A 25 11.515 -1.252 12.427 1.00 0.00 C ATOM 407 CD PRO A 25 10.095 -1.064 11.976 1.00 0.00 C ATOM 0 HA PRO A 25 10.782 -4.223 11.882 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.419 -2.452 14.197 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.524 -3.057 12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.820 -0.448 13.097 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.198 -1.236 11.578 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.495 -0.558 12.732 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.036 -0.464 11.068 1.00 0.00 H new ATOM 415 N ASN A 26 8.842 -3.202 14.315 1.00 0.00 N ATOM 416 CA ASN A 26 7.997 -3.655 15.409 1.00 0.00 C ATOM 417 C ASN A 26 6.678 -4.203 14.876 1.00 0.00 C ATOM 418 O ASN A 26 5.706 -4.346 15.617 1.00 0.00 O ATOM 419 CB ASN A 26 7.727 -2.503 16.378 1.00 0.00 C ATOM 420 CG ASN A 26 6.907 -1.397 15.744 1.00 0.00 C ATOM 421 OD1 ASN A 26 5.678 -1.410 15.802 1.00 0.00 O ATOM 422 ND2 ASN A 26 7.586 -0.432 15.134 1.00 0.00 N ATOM 0 H ASN A 26 8.794 -2.199 14.136 1.00 0.00 H new ATOM 0 HA ASN A 26 8.518 -4.453 15.938 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.203 -2.884 17.254 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.676 -2.095 16.726 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.088 0.339 14.689 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.605 -0.462 15.111 1.00 0.00 H new ATOM 429 N GLY A 27 6.658 -4.512 13.584 1.00 0.00 N ATOM 430 CA GLY A 27 5.448 -5.032 12.981 1.00 0.00 C ATOM 431 C GLY A 27 5.741 -6.025 11.877 1.00 0.00 C ATOM 432 O GLY A 27 6.887 -6.435 11.692 1.00 0.00 O ATOM 0 H GLY A 27 7.451 -4.413 12.950 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.840 -5.512 13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.861 -4.207 12.579 1.00 0.00 H new ATOM 436 N HIS A 28 4.707 -6.414 11.143 1.00 0.00 N ATOM 437 CA HIS A 28 4.868 -7.362 10.049 1.00 0.00 C ATOM 438 C HIS A 28 5.129 -6.631 8.738 1.00 0.00 C ATOM 439 O HIS A 28 4.614 -5.536 8.515 1.00 0.00 O ATOM 440 CB HIS A 28 3.622 -8.240 9.920 1.00 0.00 C ATOM 441 CG HIS A 28 3.332 -9.051 11.143 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.669 -10.383 11.262 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.729 -8.713 12.309 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.286 -10.829 12.445 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.715 -9.836 13.100 1.00 0.00 N ATOM 0 H HIS A 28 3.751 -6.089 11.285 1.00 0.00 H new ATOM 0 HA HIS A 28 5.727 -7.996 10.270 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.762 -7.606 9.702 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.747 -8.911 9.070 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.333 -7.742 12.568 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.418 -11.836 12.814 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.326 -9.893 14.041 1.00 0.00 H new ATOM 454 N HIS A 29 5.935 -7.242 7.876 1.00 0.00 N ATOM 455 CA HIS A 29 6.263 -6.654 6.582 1.00 0.00 C ATOM 456 C HIS A 29 5.110 -6.848 5.600 1.00 0.00 C ATOM 457 O HIS A 29 5.325 -7.038 4.403 1.00 0.00 O ATOM 458 CB HIS A 29 7.534 -7.297 6.022 1.00 0.00 C ATOM 459 CG HIS A 29 8.687 -7.285 6.978 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.832 -8.207 7.993 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.755 -6.458 7.069 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.939 -7.948 8.667 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.517 -6.893 8.126 1.00 0.00 N ATOM 0 H HIS A 29 6.374 -8.146 8.051 1.00 0.00 H new ATOM 0 HA HIS A 29 6.431 -5.586 6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.316 -8.328 5.742 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.824 -6.774 5.111 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.968 -5.614 6.430 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.307 -8.505 9.516 1.00 0.00 H new ATOM 0 HE2 HIS A 29 11.389 -6.469 8.442 1.00 0.00 H new ATOM 472 N PHE A 30 3.885 -6.781 6.116 1.00 0.00 N ATOM 473 CA PHE A 30 2.694 -6.974 5.291 1.00 0.00 C ATOM 474 C PHE A 30 1.421 -6.617 6.054 1.00 0.00 C ATOM 475 O PHE A 30 1.473 -6.124 7.179 1.00 0.00 O ATOM 476 CB PHE A 30 2.601 -8.432 4.824 1.00 0.00 C ATOM 477 CG PHE A 30 2.580 -9.426 5.952 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.396 -9.719 6.611 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.741 -10.068 6.351 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.370 -10.632 7.647 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.720 -10.983 7.387 1.00 0.00 C ATOM 482 CZ PHE A 30 2.533 -11.266 8.035 1.00 0.00 C ATOM 0 H PHE A 30 3.691 -6.595 7.100 1.00 0.00 H new ATOM 0 HA PHE A 30 2.784 -6.312 4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.699 -8.556 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.448 -8.651 4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.483 -9.227 6.311 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.672 -9.851 5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.441 -10.850 8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.632 -11.477 7.690 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.515 -11.982 8.843 1.00 0.00 H new ATOM 492 N LEU A 31 0.279 -6.886 5.423 1.00 0.00 N ATOM 493 CA LEU A 31 -1.018 -6.613 6.026 1.00 0.00 C ATOM 494 C LEU A 31 -2.098 -7.496 5.411 1.00 0.00 C ATOM 495 O LEU A 31 -1.908 -8.072 4.339 1.00 0.00 O ATOM 496 CB LEU A 31 -1.395 -5.147 5.831 1.00 0.00 C ATOM 497 CG LEU A 31 -0.755 -4.170 6.812 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.087 -2.737 6.429 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.211 -4.462 8.235 1.00 0.00 C ATOM 0 H LEU A 31 0.229 -7.295 4.490 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.945 -6.832 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.121 -4.851 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.478 -5.055 5.908 1.00 0.00 H new ATOM 0 HG LEU A 31 0.327 -4.297 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.622 -2.053 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.709 -2.531 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.168 -2.597 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.743 -3.754 8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.295 -4.365 8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.922 -5.477 8.509 1.00 0.00 H new ATOM 511 N THR A 32 -3.232 -7.594 6.096 1.00 0.00 N ATOM 512 CA THR A 32 -4.351 -8.391 5.609 1.00 0.00 C ATOM 513 C THR A 32 -5.375 -7.496 4.920 1.00 0.00 C ATOM 514 O THR A 32 -5.450 -6.302 5.202 1.00 0.00 O ATOM 515 CB THR A 32 -5.039 -9.163 6.751 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.546 -8.247 7.728 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.070 -10.133 7.411 1.00 0.00 C ATOM 0 H THR A 32 -3.400 -7.132 6.990 1.00 0.00 H new ATOM 0 HA THR A 32 -3.951 -9.113 4.897 1.00 0.00 H new ATOM 0 HB THR A 32 -5.865 -9.733 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.897 -8.154 8.457 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.579 -10.666 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.711 -10.848 6.671 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.225 -9.580 7.821 1.00 0.00 H new ATOM 525 N LYS A 33 -6.170 -8.080 4.032 1.00 0.00 N ATOM 526 CA LYS A 33 -7.175 -7.306 3.304 1.00 0.00 C ATOM 527 C LYS A 33 -8.073 -6.531 4.265 1.00 0.00 C ATOM 528 O LYS A 33 -8.597 -5.471 3.925 1.00 0.00 O ATOM 529 CB LYS A 33 -8.024 -8.232 2.430 1.00 0.00 C ATOM 530 CG LYS A 33 -8.387 -7.638 1.075 1.00 0.00 C ATOM 531 CD LYS A 33 -9.355 -6.472 1.210 1.00 0.00 C ATOM 532 CE LYS A 33 -9.686 -5.858 -0.142 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.759 -4.831 -0.037 1.00 0.00 N ATOM 0 H LYS A 33 -6.142 -9.073 3.799 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.654 -6.590 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.483 -9.165 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.941 -8.481 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.481 -7.302 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.833 -8.410 0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.272 -6.814 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.921 -5.711 1.859 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.789 -5.404 -0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.000 -6.643 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.657 -5.232 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.862 -4.537 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.508 -4.006 -0.618 1.00 0.00 H new ATOM 547 N GLU A 34 -8.237 -7.062 5.470 1.00 0.00 N ATOM 548 CA GLU A 34 -9.076 -6.423 6.477 1.00 0.00 C ATOM 549 C GLU A 34 -8.351 -5.265 7.161 1.00 0.00 C ATOM 550 O GLU A 34 -8.933 -4.198 7.368 1.00 0.00 O ATOM 551 CB GLU A 34 -9.512 -7.451 7.521 1.00 0.00 C ATOM 552 CG GLU A 34 -10.259 -8.637 6.934 1.00 0.00 C ATOM 553 CD GLU A 34 -11.554 -8.234 6.257 1.00 0.00 C ATOM 554 OE1 GLU A 34 -12.597 -8.201 6.942 1.00 0.00 O ATOM 555 OE2 GLU A 34 -11.524 -7.950 5.040 1.00 0.00 O ATOM 0 H GLU A 34 -7.801 -7.933 5.774 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.953 -6.018 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.631 -7.814 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.148 -6.960 8.258 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.619 -9.144 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.475 -9.354 7.726 1.00 0.00 H new ATOM 562 N GLU A 35 -7.085 -5.474 7.509 1.00 0.00 N ATOM 563 CA GLU A 35 -6.320 -4.427 8.179 1.00 0.00 C ATOM 564 C GLU A 35 -5.972 -3.319 7.200 1.00 0.00 C ATOM 565 O GLU A 35 -5.825 -2.161 7.580 1.00 0.00 O ATOM 566 CB GLU A 35 -5.042 -5.003 8.792 1.00 0.00 C ATOM 567 CG GLU A 35 -5.299 -6.051 9.863 1.00 0.00 C ATOM 568 CD GLU A 35 -4.018 -6.619 10.442 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.514 -6.056 11.435 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.520 -7.629 9.901 1.00 0.00 O ATOM 0 H GLU A 35 -6.575 -6.341 7.343 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.934 -4.013 8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.437 -5.445 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.458 -4.190 9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.891 -5.609 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.892 -6.861 9.439 1.00 0.00 H new ATOM 577 N LEU A 36 -5.868 -3.695 5.936 1.00 0.00 N ATOM 578 CA LEU A 36 -5.522 -2.754 4.882 1.00 0.00 C ATOM 579 C LEU A 36 -6.581 -1.674 4.713 1.00 0.00 C ATOM 580 O LEU A 36 -6.279 -0.481 4.736 1.00 0.00 O ATOM 581 CB LEU A 36 -5.366 -3.516 3.577 1.00 0.00 C ATOM 582 CG LEU A 36 -4.115 -4.379 3.487 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.204 -5.349 2.318 1.00 0.00 C ATOM 584 CD2 LEU A 36 -2.877 -3.505 3.367 1.00 0.00 C ATOM 0 H LEU A 36 -6.019 -4.651 5.613 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.589 -2.262 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.240 -4.152 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.357 -2.801 2.754 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.039 -4.965 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.298 -5.953 2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.068 -6.000 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.310 -4.790 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.991 -4.136 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.950 -2.891 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.801 -2.860 4.242 1.00 0.00 H new ATOM 596 N LEU A 37 -7.817 -2.110 4.536 1.00 0.00 N ATOM 597 CA LEU A 37 -8.944 -1.199 4.364 1.00 0.00 C ATOM 598 C LEU A 37 -8.943 -0.116 5.441 1.00 0.00 C ATOM 599 O LEU A 37 -9.354 1.018 5.195 1.00 0.00 O ATOM 600 CB LEU A 37 -10.260 -1.979 4.406 1.00 0.00 C ATOM 601 CG LEU A 37 -10.531 -2.866 3.189 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.795 -3.686 3.397 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.647 -2.018 1.929 1.00 0.00 C ATOM 0 H LEU A 37 -8.070 -3.098 4.507 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.845 -0.714 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.265 -2.604 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.081 -1.270 4.509 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.693 -3.552 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.972 -4.311 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.677 -4.319 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.643 -3.017 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.840 -2.664 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.468 -1.310 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.717 -1.473 1.770 1.00 0.00 H new ATOM 615 N GLN A 38 -8.479 -0.477 6.632 1.00 0.00 N ATOM 616 CA GLN A 38 -8.424 0.479 7.732 1.00 0.00 C ATOM 617 C GLN A 38 -7.293 1.468 7.502 1.00 0.00 C ATOM 618 O GLN A 38 -7.440 2.670 7.723 1.00 0.00 O ATOM 619 CB GLN A 38 -8.224 -0.248 9.064 1.00 0.00 C ATOM 620 CG GLN A 38 -9.344 -1.218 9.403 1.00 0.00 C ATOM 621 CD GLN A 38 -9.128 -1.917 10.730 1.00 0.00 C ATOM 622 OE1 GLN A 38 -8.516 -2.984 10.791 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.632 -1.320 11.804 1.00 0.00 N ATOM 0 H GLN A 38 -8.140 -1.412 6.859 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.369 1.021 7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.280 -0.793 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.140 0.490 9.862 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.291 -0.679 9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.425 -1.964 8.613 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.132 -0.436 11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.519 -1.745 12.724 1.00 0.00 H new ATOM 632 N ARG A 39 -6.162 0.938 7.057 1.00 0.00 N ATOM 633 CA ARG A 39 -4.989 1.751 6.775 1.00 0.00 C ATOM 634 C ARG A 39 -5.311 2.841 5.763 1.00 0.00 C ATOM 635 O ARG A 39 -4.898 3.991 5.916 1.00 0.00 O ATOM 636 CB ARG A 39 -3.883 0.871 6.215 1.00 0.00 C ATOM 637 CG ARG A 39 -3.539 -0.319 7.080 1.00 0.00 C ATOM 638 CD ARG A 39 -2.695 0.077 8.278 1.00 0.00 C ATOM 639 NE ARG A 39 -3.478 0.764 9.301 1.00 0.00 N ATOM 640 CZ ARG A 39 -3.033 1.007 10.531 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.817 0.617 10.890 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.806 1.637 11.404 1.00 0.00 N ATOM 0 H ARG A 39 -6.033 -0.059 6.883 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.667 2.218 7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.182 0.515 5.229 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.987 1.477 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.457 -0.795 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.001 -1.057 6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.239 -0.814 8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.882 0.724 7.949 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.419 1.075 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.220 0.129 10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.479 0.805 11.834 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.743 1.936 11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.464 1.823 12.347 1.00 0.00 H new ATOM 656 N CYS A 40 -6.046 2.461 4.724 1.00 0.00 N ATOM 657 CA CYS A 40 -6.426 3.396 3.669 1.00 0.00 C ATOM 658 C CYS A 40 -7.120 4.621 4.255 1.00 0.00 C ATOM 659 O CYS A 40 -7.008 5.723 3.721 1.00 0.00 O ATOM 660 CB CYS A 40 -7.341 2.716 2.648 1.00 0.00 C ATOM 661 SG CYS A 40 -7.876 3.798 1.301 1.00 0.00 S ATOM 0 H CYS A 40 -6.391 1.511 4.589 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.516 3.719 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.820 1.857 2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.222 2.333 3.164 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.768 5.039 1.672 1.00 0.00 H new ATOM 667 N ALA A 41 -7.840 4.418 5.353 1.00 0.00 N ATOM 668 CA ALA A 41 -8.541 5.514 6.010 1.00 0.00 C ATOM 669 C ALA A 41 -7.558 6.546 6.560 1.00 0.00 C ATOM 670 O ALA A 41 -7.963 7.596 7.060 1.00 0.00 O ATOM 671 CB ALA A 41 -9.429 4.982 7.125 1.00 0.00 C ATOM 0 H ALA A 41 -7.953 3.510 5.804 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.167 6.007 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.946 5.812 7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.162 4.291 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.816 4.461 7.861 1.00 0.00 H new ATOM 677 N GLN A 42 -6.265 6.240 6.464 1.00 0.00 N ATOM 678 CA GLN A 42 -5.269 7.180 6.967 1.00 0.00 C ATOM 679 C GLN A 42 -4.657 7.945 5.798 1.00 0.00 C ATOM 680 O GLN A 42 -4.548 9.171 5.821 1.00 0.00 O ATOM 681 CB GLN A 42 -4.178 6.444 7.747 1.00 0.00 C ATOM 682 CG GLN A 42 -4.700 5.688 8.957 1.00 0.00 C ATOM 683 CD GLN A 42 -3.595 4.993 9.730 1.00 0.00 C ATOM 684 OE1 GLN A 42 -3.008 5.566 10.648 1.00 0.00 O ATOM 685 NE2 GLN A 42 -3.306 3.751 9.360 1.00 0.00 N ATOM 0 H GLN A 42 -5.893 5.381 6.058 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.755 7.882 7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.676 5.743 7.080 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.429 7.164 8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.220 6.381 9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.432 4.948 8.631 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.818 3.315 8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.572 3.233 9.842 1.00 0.00 H new ATOM 694 N LYS A 43 -4.258 7.187 4.779 1.00 0.00 N ATOM 695 CA LYS A 43 -3.660 7.739 3.567 1.00 0.00 C ATOM 696 C LYS A 43 -4.702 8.522 2.776 1.00 0.00 C ATOM 697 O LYS A 43 -4.374 9.452 2.041 1.00 0.00 O ATOM 698 CB LYS A 43 -3.081 6.593 2.730 1.00 0.00 C ATOM 699 CG LYS A 43 -2.234 7.044 1.553 1.00 0.00 C ATOM 700 CD LYS A 43 -3.085 7.295 0.325 1.00 0.00 C ATOM 701 CE LYS A 43 -2.231 7.668 -0.876 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.058 8.082 -2.043 1.00 0.00 N ATOM 0 H LYS A 43 -4.341 6.170 4.771 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.857 8.427 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.475 5.957 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.902 5.980 2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.696 7.954 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.485 6.285 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.668 6.403 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.796 8.096 0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.557 8.480 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.609 6.818 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.054 7.326 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.034 8.259 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.664 8.951 -2.457 1.00 0.00 H new ATOM 885 N PRO A 56 -9.209 -4.630 -5.172 1.00 0.00 N ATOM 886 CA PRO A 56 -9.131 -5.880 -5.934 1.00 0.00 C ATOM 887 C PRO A 56 -8.008 -5.832 -6.966 1.00 0.00 C ATOM 888 O PRO A 56 -7.625 -6.854 -7.538 1.00 0.00 O ATOM 889 CB PRO A 56 -10.494 -5.965 -6.624 1.00 0.00 C ATOM 890 CG PRO A 56 -11.410 -5.195 -5.739 1.00 0.00 C ATOM 891 CD PRO A 56 -10.583 -4.087 -5.147 1.00 0.00 C ATOM 0 HA PRO A 56 -8.915 -6.742 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.459 -5.538 -7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.821 -6.999 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.252 -4.794 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.824 -5.832 -4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.663 -3.170 -5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.901 -3.847 -4.132 1.00 0.00 H new ATOM 899 N ALA A 57 -7.484 -4.628 -7.194 1.00 0.00 N ATOM 900 CA ALA A 57 -6.396 -4.423 -8.140 1.00 0.00 C ATOM 901 C ALA A 57 -5.123 -5.119 -7.672 1.00 0.00 C ATOM 902 O ALA A 57 -4.184 -5.295 -8.447 1.00 0.00 O ATOM 903 CB ALA A 57 -6.141 -2.935 -8.333 1.00 0.00 C ATOM 0 H ALA A 57 -7.801 -3.776 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.690 -4.860 -9.094 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.325 -2.795 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.043 -2.458 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.872 -2.485 -7.377 1.00 0.00 H new ATOM 909 N LEU A 58 -5.098 -5.512 -6.398 1.00 0.00 N ATOM 910 CA LEU A 58 -3.936 -6.195 -5.840 1.00 0.00 C ATOM 911 C LEU A 58 -3.517 -7.352 -6.734 1.00 0.00 C ATOM 912 O LEU A 58 -2.341 -7.503 -7.056 1.00 0.00 O ATOM 913 CB LEU A 58 -4.234 -6.708 -4.427 1.00 0.00 C ATOM 914 CG LEU A 58 -3.720 -5.825 -3.286 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.207 -5.682 -3.359 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.388 -4.460 -3.319 1.00 0.00 C ATOM 0 H LEU A 58 -5.864 -5.370 -5.739 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.117 -5.477 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.313 -6.820 -4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.798 -7.701 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.974 -6.307 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.861 -5.051 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.744 -6.666 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.930 -5.226 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.008 -3.849 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.169 -3.971 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.466 -4.580 -3.213 1.00 0.00 H new ATOM 928 N ARG A 59 -4.490 -8.164 -7.132 1.00 0.00 N ATOM 929 CA ARG A 59 -4.226 -9.300 -8.002 1.00 0.00 C ATOM 930 C ARG A 59 -3.492 -8.844 -9.258 1.00 0.00 C ATOM 931 O ARG A 59 -2.610 -9.537 -9.765 1.00 0.00 O ATOM 932 CB ARG A 59 -5.538 -9.990 -8.380 1.00 0.00 C ATOM 933 CG ARG A 59 -6.306 -10.527 -7.184 1.00 0.00 C ATOM 934 CD ARG A 59 -7.605 -11.193 -7.609 1.00 0.00 C ATOM 935 NE ARG A 59 -8.492 -10.266 -8.308 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.691 -10.602 -8.775 1.00 0.00 C ATOM 937 NH1 ARG A 59 -10.146 -11.837 -8.615 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.437 -9.701 -9.399 1.00 0.00 N ATOM 0 H ARG A 59 -5.468 -8.055 -6.865 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.596 -10.011 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.169 -9.283 -8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.324 -10.812 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.687 -11.245 -6.645 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.523 -9.712 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.383 -12.041 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.114 -11.589 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.174 -9.307 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.576 -12.532 -8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.066 -12.092 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.091 -8.749 -9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.356 -9.960 -9.757 1.00 0.00 H new ATOM 952 N SER A 60 -3.868 -7.668 -9.748 1.00 0.00 N ATOM 953 CA SER A 60 -3.242 -7.114 -10.942 1.00 0.00 C ATOM 954 C SER A 60 -1.824 -6.628 -10.644 1.00 0.00 C ATOM 955 O SER A 60 -0.947 -6.693 -11.505 1.00 0.00 O ATOM 956 CB SER A 60 -4.081 -5.962 -11.495 1.00 0.00 C ATOM 957 OG SER A 60 -5.386 -6.398 -11.834 1.00 0.00 O ATOM 0 H SER A 60 -4.598 -7.084 -9.340 1.00 0.00 H new ATOM 0 HA SER A 60 -3.184 -7.906 -11.689 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.142 -5.164 -10.755 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.594 -5.543 -12.376 1.00 0.00 H new ATOM 0 HG SER A 60 -5.903 -5.642 -12.184 1.00 0.00 H new ATOM 963 N LEU A 61 -1.604 -6.140 -9.424 1.00 0.00 N ATOM 964 CA LEU A 61 -0.287 -5.645 -9.033 1.00 0.00 C ATOM 965 C LEU A 61 0.688 -6.791 -8.774 1.00 0.00 C ATOM 966 O LEU A 61 1.858 -6.709 -9.148 1.00 0.00 O ATOM 967 CB LEU A 61 -0.383 -4.735 -7.807 1.00 0.00 C ATOM 968 CG LEU A 61 -0.708 -3.276 -8.121 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.206 -3.029 -8.053 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.040 -2.353 -7.175 1.00 0.00 C ATOM 0 H LEU A 61 -2.315 -6.077 -8.695 1.00 0.00 H new ATOM 0 HA LEU A 61 0.099 -5.059 -9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.149 -5.128 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.563 -4.775 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.381 -3.061 -9.138 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.413 -1.983 -8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.713 -3.665 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.568 -3.261 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.202 -1.317 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.254 -2.569 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.113 -2.510 -7.286 1.00 0.00 H new ATOM 982 N LEU A 62 0.210 -7.853 -8.129 1.00 0.00 N ATOM 983 CA LEU A 62 1.054 -9.011 -7.853 1.00 0.00 C ATOM 984 C LEU A 62 1.678 -9.491 -9.151 1.00 0.00 C ATOM 985 O LEU A 62 2.820 -9.950 -9.184 1.00 0.00 O ATOM 986 CB LEU A 62 0.226 -10.137 -7.234 1.00 0.00 C ATOM 987 CG LEU A 62 -0.543 -9.772 -5.962 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.737 -10.696 -5.788 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.364 -9.850 -4.741 1.00 0.00 C ATOM 0 H LEU A 62 -0.749 -7.935 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 62 1.835 -8.725 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.487 -10.491 -7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.891 -10.971 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.900 -8.747 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.276 -10.427 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.401 -10.598 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.391 -11.727 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.204 -9.587 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.750 -10.864 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.195 -9.155 -4.860 1.00 0.00 H new ATOM 1001 N HIS A 63 0.901 -9.374 -10.221 1.00 0.00 N ATOM 1002 CA HIS A 63 1.347 -9.771 -11.545 1.00 0.00 C ATOM 1003 C HIS A 63 2.513 -8.901 -11.995 1.00 0.00 C ATOM 1004 O HIS A 63 3.442 -9.378 -12.647 1.00 0.00 O ATOM 1005 CB HIS A 63 0.186 -9.654 -12.532 1.00 0.00 C ATOM 1006 CG HIS A 63 0.543 -10.048 -13.933 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.352 -11.321 -14.428 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.075 -9.328 -14.949 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.754 -11.368 -15.685 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.197 -10.171 -16.026 1.00 0.00 N ATOM 0 H HIS A 63 -0.049 -9.004 -10.193 1.00 0.00 H new ATOM 0 HA HIS A 63 1.685 -10.807 -11.512 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.637 -10.280 -12.187 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.175 -8.625 -12.534 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.352 -8.285 -14.918 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.725 -12.237 -16.325 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.569 -9.915 -16.940 1.00 0.00 H new ATOM 1019 N ARG A 64 2.458 -7.620 -11.638 1.00 0.00 N ATOM 1020 CA ARG A 64 3.516 -6.688 -11.998 1.00 0.00 C ATOM 1021 C ARG A 64 4.721 -6.874 -11.085 1.00 0.00 C ATOM 1022 O ARG A 64 5.760 -6.242 -11.276 1.00 0.00 O ATOM 1023 CB ARG A 64 3.004 -5.250 -11.909 1.00 0.00 C ATOM 1024 CG ARG A 64 1.824 -4.956 -12.825 1.00 0.00 C ATOM 1025 CD ARG A 64 2.237 -4.909 -14.288 1.00 0.00 C ATOM 1026 NE ARG A 64 2.639 -6.219 -14.795 1.00 0.00 N ATOM 1027 CZ ARG A 64 3.177 -6.413 -15.995 1.00 0.00 C ATOM 1028 NH1 ARG A 64 3.377 -5.385 -16.810 1.00 0.00 N ATOM 1029 NH2 ARG A 64 3.515 -7.636 -16.382 1.00 0.00 N ATOM 0 H ARG A 64 1.694 -7.208 -11.102 1.00 0.00 H new ATOM 0 HA ARG A 64 3.823 -6.890 -13.024 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.713 -5.042 -10.880 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.819 -4.569 -12.153 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.060 -5.721 -12.688 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.375 -4.003 -12.544 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.407 -4.530 -14.885 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.062 -4.207 -14.407 1.00 0.00 H new ATOM 0 HE ARG A 64 2.499 -7.031 -14.194 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.118 -4.443 -16.516 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.790 -5.537 -17.730 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.362 -8.429 -15.759 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.928 -7.784 -17.303 1.00 0.00 H new ATOM 1043 N ASN A 65 4.566 -7.745 -10.088 1.00 0.00 N ATOM 1044 CA ASN A 65 5.639 -8.032 -9.139 1.00 0.00 C ATOM 1045 C ASN A 65 5.935 -6.828 -8.248 1.00 0.00 C ATOM 1046 O ASN A 65 7.062 -6.650 -7.787 1.00 0.00 O ATOM 1047 CB ASN A 65 6.908 -8.469 -9.877 1.00 0.00 C ATOM 1048 CG ASN A 65 6.691 -9.715 -10.713 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.338 -9.908 -11.741 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.772 -10.570 -10.275 1.00 0.00 N ATOM 0 H ASN A 65 3.705 -8.265 -9.917 1.00 0.00 H new ATOM 0 HA ASN A 65 5.303 -8.848 -8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.248 -7.658 -10.521 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.701 -8.655 -9.152 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.581 -11.425 -10.797 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.258 -10.371 -9.417 1.00 0.00 H new ATOM 1057 N LEU A 66 4.917 -6.005 -8.008 1.00 0.00 N ATOM 1058 CA LEU A 66 5.075 -4.833 -7.152 1.00 0.00 C ATOM 1059 C LEU A 66 4.620 -5.159 -5.738 1.00 0.00 C ATOM 1060 O LEU A 66 5.005 -4.496 -4.774 1.00 0.00 O ATOM 1061 CB LEU A 66 4.279 -3.642 -7.681 1.00 0.00 C ATOM 1062 CG LEU A 66 4.404 -3.360 -9.184 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.072 -1.907 -9.472 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.798 -3.686 -9.696 1.00 0.00 C ATOM 0 H LEU A 66 3.980 -6.127 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 66 6.131 -4.563 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.226 -3.803 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.593 -2.751 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 66 3.695 -4.003 -9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.164 -1.718 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.051 -1.697 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.762 -1.262 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.852 -3.475 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.531 -3.076 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.011 -4.741 -9.524 1.00 0.00 H new ATOM 1076 N VAL A 67 3.793 -6.190 -5.631 1.00 0.00 N ATOM 1077 CA VAL A 67 3.281 -6.644 -4.347 1.00 0.00 C ATOM 1078 C VAL A 67 3.484 -8.147 -4.197 1.00 0.00 C ATOM 1079 O VAL A 67 3.863 -8.828 -5.150 1.00 0.00 O ATOM 1080 CB VAL A 67 1.789 -6.305 -4.175 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.604 -4.829 -3.868 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.013 -6.688 -5.417 1.00 0.00 C ATOM 0 H VAL A 67 3.460 -6.732 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 67 3.839 -6.120 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 67 1.403 -6.880 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.542 -4.612 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.129 -4.581 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.007 -4.234 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.040 -6.442 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.404 -6.140 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.115 -7.759 -5.594 1.00 0.00 H new ATOM 1092 N LEU A 68 3.231 -8.661 -3.001 1.00 0.00 N ATOM 1093 CA LEU A 68 3.404 -10.084 -2.729 1.00 0.00 C ATOM 1094 C LEU A 68 2.128 -10.673 -2.135 1.00 0.00 C ATOM 1095 O LEU A 68 1.585 -10.129 -1.183 1.00 0.00 O ATOM 1096 CB LEU A 68 4.576 -10.277 -1.763 1.00 0.00 C ATOM 1097 CG LEU A 68 5.239 -11.659 -1.786 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.561 -11.623 -1.036 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.320 -12.710 -1.184 1.00 0.00 C ATOM 0 H LEU A 68 2.905 -8.115 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 68 3.616 -10.603 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.335 -9.527 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.224 -10.081 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 68 5.431 -11.928 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.020 -12.611 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.228 -10.901 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.384 -11.331 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.812 -13.682 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.094 -12.447 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.394 -12.756 -1.758 1.00 0.00 H new ATOM 1111 N ARG A 69 1.661 -11.787 -2.703 1.00 0.00 N ATOM 1112 CA ARG A 69 0.445 -12.447 -2.220 1.00 0.00 C ATOM 1113 C ARG A 69 0.795 -13.678 -1.390 1.00 0.00 C ATOM 1114 O ARG A 69 1.827 -14.310 -1.615 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.440 -12.850 -3.403 1.00 0.00 C ATOM 1116 CG ARG A 69 -1.617 -13.733 -3.022 1.00 0.00 C ATOM 1117 CD ARG A 69 -2.287 -14.326 -4.249 1.00 0.00 C ATOM 1118 NE ARG A 69 -3.457 -15.128 -3.901 1.00 0.00 N ATOM 1119 CZ ARG A 69 -4.204 -15.771 -4.792 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -3.906 -15.707 -6.084 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -5.252 -16.479 -4.394 1.00 0.00 N ATOM 0 H ARG A 69 2.105 -12.250 -3.496 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.100 -11.745 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.817 -11.948 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.171 -13.374 -4.139 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.275 -14.536 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.343 -13.149 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.586 -13.523 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.571 -14.945 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.716 -15.199 -2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.101 -15.163 -6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.482 -16.202 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.486 -16.531 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.824 -16.972 -5.079 1.00 0.00 H new ATOM 1135 N THR A 70 -0.067 -14.027 -0.436 1.00 0.00 N ATOM 1136 CA THR A 70 0.199 -15.185 0.409 1.00 0.00 C ATOM 1137 C THR A 70 -1.040 -16.033 0.681 1.00 0.00 C ATOM 1138 O THR A 70 -2.123 -15.810 0.140 1.00 0.00 O ATOM 1139 CB THR A 70 0.832 -14.811 1.762 1.00 0.00 C ATOM 1140 OG1 THR A 70 -0.164 -14.306 2.648 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.933 -13.781 1.588 1.00 0.00 C ATOM 0 H THR A 70 -0.937 -13.535 -0.233 1.00 0.00 H new ATOM 0 HA THR A 70 0.910 -15.772 -0.173 1.00 0.00 H new ATOM 0 HB THR A 70 1.271 -15.714 2.187 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.552 -15.046 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.360 -13.537 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.711 -14.186 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.519 -12.879 1.137 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.813 -17.023 1.526 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.798 -18.016 1.946 1.00 0.00 C ATOM 1151 C HIS A 71 -3.259 -17.546 1.994 1.00 0.00 C ATOM 1152 O HIS A 71 -4.100 -18.069 1.261 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.414 -18.372 3.367 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.965 -19.779 3.570 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.737 -20.880 3.266 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.202 -20.257 4.054 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -1.061 -21.979 3.557 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.119 -21.627 4.036 1.00 0.00 N ATOM 0 H HIS A 71 0.099 -17.167 1.959 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.773 -18.823 1.213 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.616 -17.703 3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.269 -18.183 4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.044 -19.671 4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.413 -22.991 3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.850 -22.269 4.343 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.537 -16.547 2.834 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.916 -16.052 2.982 1.00 0.00 C ATOM 1169 C GLN A 72 -5.015 -15.161 4.228 1.00 0.00 C ATOM 1170 O GLN A 72 -4.453 -15.501 5.269 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.902 -17.220 3.128 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.335 -16.782 3.384 1.00 0.00 C ATOM 1173 CD GLN A 72 -8.284 -17.955 3.539 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.496 -18.454 4.644 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -8.862 -18.400 2.429 1.00 0.00 N ATOM 0 H GLN A 72 -2.846 -16.070 3.413 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.170 -15.480 2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.873 -17.824 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.575 -17.860 3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.369 -16.170 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.672 -16.153 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.657 -17.956 1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.511 -19.186 2.472 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.720 -14.011 4.157 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.408 -13.533 2.954 1.00 0.00 C ATOM 1186 C PRO A 73 -5.439 -12.915 1.954 1.00 0.00 C ATOM 1187 O PRO A 73 -5.759 -11.924 1.297 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.381 -12.463 3.484 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.255 -12.491 4.974 1.00 0.00 C ATOM 1190 CD PRO A 73 -5.909 -13.080 5.271 1.00 0.00 C ATOM 0 HA PRO A 73 -6.904 -14.344 2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.130 -11.478 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.404 -12.679 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.341 -11.487 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.049 -13.090 5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.130 -12.318 5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.892 -13.590 6.234 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.255 -13.515 1.858 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.214 -13.074 0.953 1.00 0.00 C ATOM 1200 C ALA A 74 -2.480 -11.871 1.508 1.00 0.00 C ATOM 1201 O ALA A 74 -2.779 -10.727 1.162 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.769 -12.781 -0.434 1.00 0.00 C ATOM 0 H ALA A 74 -3.995 -14.329 2.415 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.498 -13.890 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.961 -12.452 -1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.222 -13.684 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.522 -11.996 -0.366 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.525 -12.140 2.386 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.724 -11.082 2.976 1.00 0.00 C ATOM 1210 C ARG A 75 0.003 -10.343 1.860 1.00 0.00 C ATOM 1211 O ARG A 75 0.641 -10.967 1.014 1.00 0.00 O ATOM 1212 CB ARG A 75 0.283 -11.688 3.960 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.360 -12.572 5.021 1.00 0.00 C ATOM 1214 CD ARG A 75 0.626 -13.591 5.584 1.00 0.00 C ATOM 1215 NE ARG A 75 0.131 -14.205 6.813 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.761 -15.185 7.454 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.906 -15.660 6.984 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.246 -15.691 8.567 1.00 0.00 N ATOM 0 H ARG A 75 -1.288 -13.080 2.704 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.361 -10.384 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.014 -12.275 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.828 -10.882 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.741 -11.949 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.215 -13.093 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.812 -14.366 4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.580 -13.103 5.781 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.748 -13.863 7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.306 -15.274 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.387 -16.412 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.635 -15.328 8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.731 -16.443 9.057 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.090 -9.019 1.857 1.00 0.00 N ATOM 1233 CA TYR A 76 0.563 -8.253 0.805 1.00 0.00 C ATOM 1234 C TYR A 76 1.814 -7.550 1.304 1.00 0.00 C ATOM 1235 O TYR A 76 1.852 -7.032 2.417 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.414 -7.258 0.179 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.551 -7.936 -0.554 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.299 -8.771 -1.637 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.871 -7.751 -0.160 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.330 -9.401 -2.308 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.907 -8.379 -0.827 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.631 -9.202 -1.899 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.661 -9.828 -2.563 1.00 0.00 O ATOM 0 H TYR A 76 -0.596 -8.467 2.550 1.00 0.00 H new ATOM 0 HA TYR A 76 0.880 -8.957 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.822 -6.616 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.126 -6.613 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.281 -8.930 -1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.091 -7.108 0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.117 -10.046 -3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.928 -8.226 -0.510 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.514 -9.583 -2.148 1.00 0.00 H new ATOM 1253 N SER A 77 2.839 -7.547 0.460 1.00 0.00 N ATOM 1254 CA SER A 77 4.111 -6.918 0.800 1.00 0.00 C ATOM 1255 C SER A 77 4.735 -6.262 -0.426 1.00 0.00 C ATOM 1256 O SER A 77 4.600 -6.758 -1.544 1.00 0.00 O ATOM 1257 CB SER A 77 5.075 -7.952 1.386 1.00 0.00 C ATOM 1258 OG SER A 77 6.317 -7.359 1.720 1.00 0.00 O ATOM 0 H SER A 77 2.815 -7.974 -0.466 1.00 0.00 H new ATOM 0 HA SER A 77 3.920 -6.147 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.633 -8.403 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.234 -8.755 0.666 1.00 0.00 H new ATOM 0 HG SER A 77 6.376 -7.250 2.692 1.00 0.00 H new ATOM 1264 N LEU A 78 5.421 -5.145 -0.210 1.00 0.00 N ATOM 1265 CA LEU A 78 6.060 -4.420 -1.303 1.00 0.00 C ATOM 1266 C LEU A 78 7.294 -5.144 -1.824 1.00 0.00 C ATOM 1267 O LEU A 78 8.169 -5.534 -1.050 1.00 0.00 O ATOM 1268 CB LEU A 78 6.493 -3.030 -0.843 1.00 0.00 C ATOM 1269 CG LEU A 78 5.385 -2.039 -0.500 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.951 -0.632 -0.495 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.230 -2.136 -1.479 1.00 0.00 C ATOM 0 H LEU A 78 5.549 -4.722 0.709 1.00 0.00 H new ATOM 0 HA LEU A 78 5.321 -4.350 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.128 -3.146 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.110 -2.591 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 78 4.999 -2.284 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.160 0.077 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.745 -0.562 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.355 -0.399 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.459 -1.416 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.587 -1.919 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.813 -3.143 -1.451 1.00 0.00 H new ATOM 1283 N THR A 79 7.362 -5.321 -3.139 1.00 0.00 N ATOM 1284 CA THR A 79 8.527 -5.946 -3.739 1.00 0.00 C ATOM 1285 C THR A 79 9.521 -4.844 -4.128 1.00 0.00 C ATOM 1286 O THR A 79 9.226 -3.671 -3.919 1.00 0.00 O ATOM 1287 CB THR A 79 8.123 -6.780 -4.970 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.725 -6.628 -5.221 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.436 -8.255 -4.759 1.00 0.00 C ATOM 0 H THR A 79 6.635 -5.044 -3.798 1.00 0.00 H new ATOM 0 HA THR A 79 8.993 -6.625 -3.025 1.00 0.00 H new ATOM 0 HB THR A 79 8.696 -6.420 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.386 -7.426 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.141 -8.820 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.506 -8.379 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.886 -8.623 -3.893 1.00 0.00 H new ATOM 1297 N PRO A 80 10.703 -5.174 -4.683 1.00 0.00 N ATOM 1298 CA PRO A 80 11.695 -4.159 -5.066 1.00 0.00 C ATOM 1299 C PRO A 80 11.092 -2.961 -5.792 1.00 0.00 C ATOM 1300 O PRO A 80 11.430 -1.814 -5.494 1.00 0.00 O ATOM 1301 CB PRO A 80 12.607 -4.933 -6.009 1.00 0.00 C ATOM 1302 CG PRO A 80 12.594 -6.318 -5.472 1.00 0.00 C ATOM 1303 CD PRO A 80 11.200 -6.543 -4.947 1.00 0.00 C ATOM 0 HA PRO A 80 12.187 -3.728 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.240 -4.900 -7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.615 -4.519 -6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.840 -7.041 -6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.334 -6.437 -4.680 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.576 -7.063 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.206 -7.149 -4.041 1.00 0.00 H new ATOM 1311 N GLU A 81 10.205 -3.223 -6.739 1.00 0.00 N ATOM 1312 CA GLU A 81 9.574 -2.153 -7.498 1.00 0.00 C ATOM 1313 C GLU A 81 8.574 -1.378 -6.645 1.00 0.00 C ATOM 1314 O GLU A 81 8.585 -0.150 -6.634 1.00 0.00 O ATOM 1315 CB GLU A 81 8.882 -2.716 -8.735 1.00 0.00 C ATOM 1316 CG GLU A 81 9.818 -3.455 -9.677 1.00 0.00 C ATOM 1317 CD GLU A 81 10.960 -2.586 -10.167 1.00 0.00 C ATOM 1318 OE1 GLU A 81 10.795 -1.921 -11.212 1.00 0.00 O ATOM 1319 OE2 GLU A 81 12.020 -2.570 -9.507 1.00 0.00 O ATOM 0 H GLU A 81 9.906 -4.163 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 81 10.357 -1.462 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.089 -3.394 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.406 -1.899 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.224 -4.329 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.251 -3.820 -10.533 1.00 0.00 H new ATOM 1326 N GLY A 82 7.705 -2.091 -5.935 1.00 0.00 N ATOM 1327 CA GLY A 82 6.735 -1.404 -5.100 1.00 0.00 C ATOM 1328 C GLY A 82 7.399 -0.628 -3.986 1.00 0.00 C ATOM 1329 O GLY A 82 6.848 0.347 -3.485 1.00 0.00 O ATOM 0 H GLY A 82 7.654 -3.110 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.144 -0.724 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.043 -2.131 -4.674 1.00 0.00 H new ATOM 1333 N LEU A 83 8.591 -1.069 -3.600 1.00 0.00 N ATOM 1334 CA LEU A 83 9.341 -0.417 -2.540 1.00 0.00 C ATOM 1335 C LEU A 83 9.824 0.946 -3.000 1.00 0.00 C ATOM 1336 O LEU A 83 9.590 1.956 -2.336 1.00 0.00 O ATOM 1337 CB LEU A 83 10.536 -1.277 -2.126 1.00 0.00 C ATOM 1338 CG LEU A 83 10.718 -1.463 -0.616 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.940 -0.129 0.075 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.511 -2.163 -0.021 1.00 0.00 C ATOM 0 H LEU A 83 9.058 -1.879 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 83 8.683 -0.290 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.432 -2.260 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.443 -0.829 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 83 11.601 -2.082 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.066 -0.290 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.835 0.345 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.079 0.517 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.655 -2.288 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.618 -1.564 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.391 -3.141 -0.487 1.00 0.00 H new ATOM 1352 N GLU A 84 10.497 0.969 -4.144 1.00 0.00 N ATOM 1353 CA GLU A 84 11.011 2.225 -4.681 1.00 0.00 C ATOM 1354 C GLU A 84 9.873 3.113 -5.137 1.00 0.00 C ATOM 1355 O GLU A 84 9.852 4.317 -4.871 1.00 0.00 O ATOM 1356 CB GLU A 84 11.968 1.966 -5.844 1.00 0.00 C ATOM 1357 CG GLU A 84 11.419 1.032 -6.908 1.00 0.00 C ATOM 1358 CD GLU A 84 10.768 1.775 -8.059 1.00 0.00 C ATOM 1359 OE1 GLU A 84 11.477 2.539 -8.747 1.00 0.00 O ATOM 1360 OE2 GLU A 84 9.551 1.596 -8.273 1.00 0.00 O ATOM 0 H GLU A 84 10.698 0.146 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 84 11.558 2.733 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.222 2.918 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.894 1.546 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.228 0.411 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.689 0.361 -6.455 1.00 0.00 H new ATOM 1367 N LEU A 85 8.928 2.502 -5.824 1.00 0.00 N ATOM 1368 CA LEU A 85 7.770 3.225 -6.312 1.00 0.00 C ATOM 1369 C LEU A 85 7.052 3.891 -5.146 1.00 0.00 C ATOM 1370 O LEU A 85 6.700 5.067 -5.211 1.00 0.00 O ATOM 1371 CB LEU A 85 6.828 2.268 -7.051 1.00 0.00 C ATOM 1372 CG LEU A 85 5.609 2.914 -7.714 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.197 2.120 -8.944 1.00 0.00 C ATOM 1374 CD2 LEU A 85 4.451 3.000 -6.731 1.00 0.00 C ATOM 0 H LEU A 85 8.939 1.509 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 85 8.094 3.997 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.400 1.745 -7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.478 1.515 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 85 5.877 3.925 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.329 2.590 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.021 2.100 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.945 1.101 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.593 3.462 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.182 1.998 -6.397 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.747 3.602 -5.872 1.00 0.00 H new ATOM 1386 N ALA A 86 6.863 3.132 -4.070 1.00 0.00 N ATOM 1387 CA ALA A 86 6.185 3.644 -2.883 1.00 0.00 C ATOM 1388 C ALA A 86 6.940 4.820 -2.281 1.00 0.00 C ATOM 1389 O ALA A 86 6.328 5.767 -1.787 1.00 0.00 O ATOM 1390 CB ALA A 86 6.009 2.543 -1.851 1.00 0.00 C ATOM 0 H ALA A 86 7.169 2.162 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 86 5.200 3.997 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.502 2.944 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.413 1.736 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.986 2.157 -1.560 1.00 0.00 H new ATOM 1396 N GLN A 87 8.270 4.760 -2.315 1.00 0.00 N ATOM 1397 CA GLN A 87 9.077 5.848 -1.779 1.00 0.00 C ATOM 1398 C GLN A 87 8.693 7.147 -2.466 1.00 0.00 C ATOM 1399 O GLN A 87 8.722 8.221 -1.864 1.00 0.00 O ATOM 1400 CB GLN A 87 10.571 5.573 -1.981 1.00 0.00 C ATOM 1401 CG GLN A 87 11.115 4.461 -1.101 1.00 0.00 C ATOM 1402 CD GLN A 87 12.620 4.314 -1.211 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.373 4.949 -0.474 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.066 3.470 -2.134 1.00 0.00 N ATOM 0 H GLN A 87 8.803 3.981 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 87 8.888 5.928 -0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.745 5.315 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.129 6.488 -1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.848 4.660 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.641 3.519 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.406 2.964 -2.724 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.069 3.328 -2.253 1.00 0.00 H new ATOM 1413 N LYS A 88 8.333 7.030 -3.738 1.00 0.00 N ATOM 1414 CA LYS A 88 7.929 8.189 -4.518 1.00 0.00 C ATOM 1415 C LYS A 88 6.557 8.690 -4.085 1.00 0.00 C ATOM 1416 O LYS A 88 6.368 9.878 -3.826 1.00 0.00 O ATOM 1417 CB LYS A 88 7.898 7.828 -5.996 1.00 0.00 C ATOM 1418 CG LYS A 88 9.171 7.149 -6.471 1.00 0.00 C ATOM 1419 CD LYS A 88 9.198 7.003 -7.983 1.00 0.00 C ATOM 1420 CE LYS A 88 10.475 6.322 -8.448 1.00 0.00 C ATOM 1421 NZ LYS A 88 11.685 7.123 -8.111 1.00 0.00 N ATOM 0 H LYS A 88 8.313 6.147 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 88 8.654 8.985 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.050 7.170 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.736 8.733 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.036 7.728 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.253 6.165 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.334 6.424 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.117 7.986 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.551 5.338 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.432 6.166 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.505 6.747 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.531 8.115 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.865 7.067 -7.088 1.00 0.00 H new ATOM 1435 N LEU A 89 5.599 7.772 -4.019 1.00 0.00 N ATOM 1436 CA LEU A 89 4.249 8.118 -3.613 1.00 0.00 C ATOM 1437 C LEU A 89 4.254 8.749 -2.228 1.00 0.00 C ATOM 1438 O LEU A 89 3.348 9.500 -1.865 1.00 0.00 O ATOM 1439 CB LEU A 89 3.382 6.861 -3.617 1.00 0.00 C ATOM 1440 CG LEU A 89 2.922 6.392 -5.001 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.099 6.239 -5.951 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.163 5.080 -4.892 1.00 0.00 C ATOM 0 H LEU A 89 5.735 6.786 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 89 3.839 8.843 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.939 6.053 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.501 7.044 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 89 2.256 7.154 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.740 5.905 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.605 7.198 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.797 5.504 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.843 4.761 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.812 4.319 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.289 5.217 -4.256 1.00 0.00 H new ATOM 1454 N ALA A 90 5.290 8.430 -1.467 1.00 0.00 N ATOM 1455 CA ALA A 90 5.432 8.954 -0.112 1.00 0.00 C ATOM 1456 C ALA A 90 5.912 10.401 -0.124 1.00 0.00 C ATOM 1457 O ALA A 90 5.592 11.178 0.775 1.00 0.00 O ATOM 1458 CB ALA A 90 6.390 8.081 0.682 1.00 0.00 C ATOM 0 H ALA A 90 6.046 7.812 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 90 4.453 8.936 0.366 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.491 8.478 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.001 7.064 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.365 8.075 0.195 1.00 0.00 H new ATOM 1464 N GLU A 91 6.685 10.749 -1.145 1.00 0.00 N ATOM 1465 CA GLU A 91 7.205 12.107 -1.274 1.00 0.00 C ATOM 1466 C GLU A 91 6.063 13.109 -1.212 1.00 0.00 C ATOM 1467 O GLU A 91 6.170 14.165 -0.587 1.00 0.00 O ATOM 1468 CB GLU A 91 7.962 12.278 -2.588 1.00 0.00 C ATOM 1469 CG GLU A 91 8.909 11.138 -2.881 1.00 0.00 C ATOM 1470 CD GLU A 91 9.625 11.295 -4.208 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.011 10.995 -5.254 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.799 11.720 -4.202 1.00 0.00 O ATOM 0 H GLU A 91 6.965 10.115 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 91 7.894 12.286 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.245 12.365 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.525 13.211 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.647 11.070 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.353 10.201 -2.882 1.00 0.00 H new ATOM 1479 N SER A 92 4.969 12.757 -1.873 1.00 0.00 N ATOM 1480 CA SER A 92 3.789 13.606 -1.911 1.00 0.00 C ATOM 1481 C SER A 92 3.169 13.759 -0.524 1.00 0.00 C ATOM 1482 O SER A 92 2.585 14.796 -0.208 1.00 0.00 O ATOM 1483 CB SER A 92 2.772 13.013 -2.883 1.00 0.00 C ATOM 1484 OG SER A 92 1.618 13.829 -2.980 1.00 0.00 O ATOM 0 H SER A 92 4.875 11.884 -2.393 1.00 0.00 H new ATOM 0 HA SER A 92 4.086 14.599 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.227 12.904 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.487 12.015 -2.551 1.00 0.00 H new ATOM 0 HG SER A 92 0.985 13.426 -3.610 1.00 0.00 H new ATOM 1490 N GLU A 93 3.298 12.722 0.301 1.00 0.00 N ATOM 1491 CA GLU A 93 2.749 12.761 1.649 1.00 0.00 C ATOM 1492 C GLU A 93 3.770 13.336 2.619 1.00 0.00 C ATOM 1493 O GLU A 93 3.500 13.475 3.813 1.00 0.00 O ATOM 1494 CB GLU A 93 2.378 11.350 2.098 1.00 0.00 C ATOM 1495 CG GLU A 93 1.603 10.557 1.062 1.00 0.00 C ATOM 1496 CD GLU A 93 0.196 11.081 0.857 1.00 0.00 C ATOM 1497 OE1 GLU A 93 0.010 11.959 -0.012 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.721 10.611 1.563 1.00 0.00 O ATOM 0 H GLU A 93 3.774 11.853 0.060 1.00 0.00 H new ATOM 0 HA GLU A 93 1.861 13.393 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.290 10.808 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.785 11.414 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.139 10.585 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.556 9.513 1.370 1.00 0.00 H new ATOM 1505 N GLY A 94 4.944 13.667 2.096 1.00 0.00 N ATOM 1506 CA GLY A 94 5.989 14.184 2.953 1.00 0.00 C ATOM 1507 C GLY A 94 6.734 13.046 3.613 1.00 0.00 C ATOM 1508 O GLY A 94 7.654 13.256 4.403 1.00 0.00 O ATOM 0 H GLY A 94 5.188 13.588 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.681 14.791 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.557 14.835 3.713 1.00 0.00 H new ATOM 1512 N LEU A 95 6.312 11.830 3.271 1.00 0.00 N ATOM 1513 CA LEU A 95 6.907 10.612 3.801 1.00 0.00 C ATOM 1514 C LEU A 95 6.731 10.532 5.312 1.00 0.00 C ATOM 1515 O LEU A 95 7.488 9.849 6.003 1.00 0.00 O ATOM 1516 CB LEU A 95 8.388 10.532 3.430 1.00 0.00 C ATOM 1517 CG LEU A 95 8.847 9.183 2.866 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.364 9.079 2.899 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.210 8.027 3.626 1.00 0.00 C ATOM 0 H LEU A 95 5.547 11.665 2.617 1.00 0.00 H new ATOM 0 HA LEU A 95 6.391 9.762 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.605 11.308 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.981 10.758 4.316 1.00 0.00 H new ATOM 0 HG LEU A 95 8.520 9.121 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.671 8.115 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.797 9.879 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.713 9.169 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.553 7.082 3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.495 8.081 4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.125 8.090 3.541 1.00 0.00 H new ATOM 1531 N SER A 96 5.718 11.227 5.817 1.00 0.00 N ATOM 1532 CA SER A 96 5.429 11.231 7.244 1.00 0.00 C ATOM 1533 C SER A 96 4.491 10.080 7.598 1.00 0.00 C ATOM 1534 O SER A 96 3.602 10.224 8.437 1.00 0.00 O ATOM 1535 CB SER A 96 4.801 12.565 7.650 1.00 0.00 C ATOM 1536 OG SER A 96 4.545 12.608 9.044 1.00 0.00 O ATOM 0 H SER A 96 5.083 11.796 5.257 1.00 0.00 H new ATOM 0 HA SER A 96 6.364 11.100 7.790 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.467 13.382 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.871 12.714 7.102 1.00 0.00 H new ATOM 0 HG SER A 96 4.116 11.772 9.324 1.00 0.00 H new ATOM 1542 N LEU A 97 4.707 8.933 6.960 1.00 0.00 N ATOM 1543 CA LEU A 97 3.865 7.768 7.212 1.00 0.00 C ATOM 1544 C LEU A 97 4.406 6.956 8.383 1.00 0.00 C ATOM 1545 O LEU A 97 3.791 6.905 9.448 1.00 0.00 O ATOM 1546 CB LEU A 97 3.777 6.890 5.961 1.00 0.00 C ATOM 1547 CG LEU A 97 3.121 7.546 4.742 1.00 0.00 C ATOM 1548 CD1 LEU A 97 4.060 8.554 4.095 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.699 6.487 3.736 1.00 0.00 C ATOM 0 H LEU A 97 5.447 8.786 6.274 1.00 0.00 H new ATOM 0 HA LEU A 97 2.865 8.120 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.784 6.577 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.220 5.987 6.210 1.00 0.00 H new ATOM 0 HG LEU A 97 2.233 8.081 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.570 9.005 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.313 9.331 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.970 8.048 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.234 6.968 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.575 5.926 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.985 5.807 4.201 1.00 0.00 H new