USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 521 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 6 LYS NZ :NH3+ -165:sc= -6.41! (180deg=-6.76!) USER MOD Set 1.2: A 10 THR OG1 : rot 71:sc= 0.259 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.105 (180deg=-0.291) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc=-0.00453 (180deg=-0.115) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 81:sc= 0.225 USER MOD Single : A 29 TYR OH : rot 45:sc= 0.0163 USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.413) USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= -1.95 (180deg=-3.29!) USER MOD Single : B 6 LYS NZ :NH3+ -140:sc= -0.448 (180deg=-1.28) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 178:sc= -2.61! (180deg=-2.66!) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 MET CE :methyl -159:sc= -2.43! (180deg=-2.82) USER MOD Single : B 18 LYS NZ :NH3+ -166:sc= -0.0182 (180deg=-0.235) USER MOD Single : B 19 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.721) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 177:sc= -1.06 (180deg=-1.1) USER MOD Single : B 29 LYS NZ :NH3+ 161:sc= -5.15! (180deg=-5.42!) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -121:sc= -2.46 (180deg=-3.03) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.422 -12.720 2.132 1.00 0.00 N ATOM 27 CA ILE A 3 -0.926 -12.250 2.501 1.00 0.00 C ATOM 28 C ILE A 3 -1.974 -13.054 1.711 1.00 0.00 C ATOM 29 O ILE A 3 -1.797 -13.330 0.522 1.00 0.00 O ATOM 30 CB ILE A 3 -1.033 -10.734 2.162 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.073 -9.899 3.049 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.482 -10.202 2.233 1.00 0.00 C ATOM 33 CD1 ILE A 3 -0.117 -8.378 2.795 1.00 0.00 C ATOM 0 HA ILE A 3 -1.105 -12.394 3.567 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.722 -10.621 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.313 -10.086 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.946 -10.251 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.492 -9.140 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.104 -10.745 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.873 -10.345 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.587 -7.878 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.155 -8.174 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.124 -8.006 2.986 1.00 0.00 H new ATOM 45 N PRO A 4 -3.090 -13.452 2.336 1.00 0.00 N ATOM 46 CA PRO A 4 -4.141 -14.248 1.676 1.00 0.00 C ATOM 47 C PRO A 4 -5.058 -13.408 0.778 1.00 0.00 C ATOM 48 O PRO A 4 -5.105 -12.178 0.810 1.00 0.00 O ATOM 49 CB PRO A 4 -4.927 -14.821 2.867 1.00 0.00 C ATOM 50 CG PRO A 4 -4.861 -13.689 3.881 1.00 0.00 C ATOM 51 CD PRO A 4 -3.411 -13.198 3.752 1.00 0.00 C ATOM 0 HA PRO A 4 -3.724 -15.000 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.955 -15.064 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.474 -15.736 3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.577 -12.899 3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.082 -14.037 4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.321 -12.141 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.742 -13.741 4.420 1.00 0.00 H new ATOM 59 N LYS A 5 -5.835 -14.141 -0.023 1.00 0.00 N ATOM 60 CA LYS A 5 -6.771 -13.540 -0.993 1.00 0.00 C ATOM 61 C LYS A 5 -7.778 -12.593 -0.321 1.00 0.00 C ATOM 62 O LYS A 5 -8.038 -11.476 -0.763 1.00 0.00 O ATOM 63 CB LYS A 5 -7.510 -14.682 -1.729 1.00 0.00 C ATOM 64 CG LYS A 5 -8.529 -14.179 -2.774 1.00 0.00 C ATOM 65 CD LYS A 5 -9.195 -15.307 -3.591 1.00 0.00 C ATOM 66 CE LYS A 5 -8.202 -16.080 -4.483 1.00 0.00 C ATOM 67 NZ LYS A 5 -8.924 -17.106 -5.248 1.00 0.00 N ATOM 0 H LYS A 5 -5.838 -15.161 -0.023 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.202 -12.936 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.777 -15.319 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.028 -15.301 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.304 -13.606 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.026 -13.496 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.678 -16.005 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.978 -14.879 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.697 -15.393 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.431 -16.545 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.254 -17.627 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.386 -17.767 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.644 -16.651 -5.845 1.00 0.00 H new ATOM 81 N LYS A 6 -8.350 -13.077 0.788 1.00 0.00 N ATOM 82 CA LYS A 6 -9.373 -12.321 1.537 1.00 0.00 C ATOM 83 C LYS A 6 -8.843 -10.938 1.949 1.00 0.00 C ATOM 84 O LYS A 6 -9.437 -9.894 1.676 1.00 0.00 O ATOM 85 CB LYS A 6 -9.792 -13.141 2.784 1.00 0.00 C ATOM 86 CG LYS A 6 -11.218 -12.836 3.309 1.00 0.00 C ATOM 87 CD LYS A 6 -11.513 -11.396 3.798 1.00 0.00 C ATOM 88 CE LYS A 6 -10.837 -10.997 5.128 1.00 0.00 C ATOM 89 NZ LYS A 6 -9.377 -10.951 4.984 1.00 0.00 N ATOM 0 H LYS A 6 -8.125 -13.987 1.190 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.241 -12.161 0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.727 -14.202 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.076 -12.952 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.925 -13.072 2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.425 -13.519 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.197 -10.696 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.591 -11.282 3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.205 -10.022 5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.107 -11.712 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.936 -10.934 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.053 -11.792 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.107 -10.095 4.460 1.00 0.00 H new ATOM 103 N ILE A 7 -7.675 -10.944 2.601 1.00 0.00 N ATOM 104 CA ILE A 7 -7.018 -9.698 3.048 1.00 0.00 C ATOM 105 C ILE A 7 -6.755 -8.732 1.880 1.00 0.00 C ATOM 106 O ILE A 7 -6.936 -7.519 1.985 1.00 0.00 O ATOM 107 CB ILE A 7 -5.705 -10.026 3.807 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.975 -10.777 5.138 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.831 -8.773 4.053 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.634 -9.905 6.230 1.00 0.00 C ATOM 0 H ILE A 7 -7.161 -11.794 2.833 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.700 -9.190 3.730 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.141 -10.692 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.617 -11.634 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.032 -11.168 5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.925 -9.060 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.561 -8.324 3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.390 -8.051 4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.790 -10.503 7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.984 -9.062 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.594 -9.535 5.870 1.00 0.00 H new ATOM 122 N TRP A 8 -6.302 -9.284 0.750 1.00 0.00 N ATOM 123 CA TRP A 8 -6.077 -8.476 -0.467 1.00 0.00 C ATOM 124 C TRP A 8 -7.325 -7.701 -0.904 1.00 0.00 C ATOM 125 O TRP A 8 -7.276 -6.529 -1.277 1.00 0.00 O ATOM 126 CB TRP A 8 -5.558 -9.351 -1.630 1.00 0.00 C ATOM 127 CG TRP A 8 -4.084 -9.698 -1.403 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.512 -10.982 -1.398 1.00 0.00 C ATOM 129 CD2 TRP A 8 -3.013 -8.812 -1.177 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.174 -10.919 -1.175 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.844 -9.602 -1.036 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.927 -7.419 -1.094 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.620 -8.974 -0.802 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.696 -6.807 -0.865 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.545 -7.582 -0.716 1.00 0.00 C ATOM 0 H TRP A 8 -6.084 -10.275 0.646 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.314 -7.742 -0.208 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.149 -10.264 -1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.675 -8.821 -2.575 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.064 -11.898 -1.551 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.533 -11.711 -1.121 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.816 -6.816 -1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.275 -9.568 -0.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.633 -5.731 -0.803 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.406 -7.104 -0.534 1.00 0.00 H new ATOM 146 N GLU A 9 -8.466 -8.391 -0.867 1.00 0.00 N ATOM 147 CA GLU A 9 -9.767 -7.764 -1.171 1.00 0.00 C ATOM 148 C GLU A 9 -10.184 -6.700 -0.146 1.00 0.00 C ATOM 149 O GLU A 9 -10.834 -5.704 -0.459 1.00 0.00 O ATOM 150 CB GLU A 9 -10.862 -8.846 -1.308 1.00 0.00 C ATOM 151 CG GLU A 9 -10.988 -9.434 -2.737 1.00 0.00 C ATOM 152 CD GLU A 9 -9.685 -10.098 -3.213 1.00 0.00 C ATOM 153 OE1 GLU A 9 -8.735 -9.388 -3.554 1.00 0.00 O ATOM 154 OE2 GLU A 9 -9.635 -11.325 -3.243 1.00 0.00 O ATOM 0 H GLU A 9 -8.523 -9.382 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.648 -7.242 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.649 -9.656 -0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.821 -8.418 -1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.794 -10.167 -2.756 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.263 -8.640 -3.431 1.00 0.00 H new ATOM 161 N THR A 10 -9.818 -6.937 1.117 1.00 0.00 N ATOM 162 CA THR A 10 -10.096 -5.968 2.197 1.00 0.00 C ATOM 163 C THR A 10 -9.404 -4.625 1.910 1.00 0.00 C ATOM 164 O THR A 10 -9.993 -3.545 1.932 1.00 0.00 O ATOM 165 CB THR A 10 -9.616 -6.539 3.559 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.241 -7.804 3.793 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.936 -5.605 4.745 1.00 0.00 C ATOM 0 H THR A 10 -9.333 -7.781 1.421 1.00 0.00 H new ATOM 0 HA THR A 10 -11.172 -5.797 2.243 1.00 0.00 H new ATOM 0 HB THR A 10 -8.532 -6.640 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.867 -8.472 3.181 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.577 -6.056 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.443 -4.644 4.595 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.014 -5.454 4.809 1.00 0.00 H new ATOM 175 N VAL A 11 -8.101 -4.727 1.632 1.00 0.00 N ATOM 176 CA VAL A 11 -7.271 -3.551 1.305 1.00 0.00 C ATOM 177 C VAL A 11 -7.465 -3.049 -0.139 1.00 0.00 C ATOM 178 O VAL A 11 -7.030 -1.965 -0.520 1.00 0.00 O ATOM 179 CB VAL A 11 -5.773 -3.857 1.559 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.515 -4.246 3.031 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.194 -4.910 0.590 1.00 0.00 C ATOM 0 H VAL A 11 -7.592 -5.611 1.625 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.604 -2.751 1.966 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.238 -2.929 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.454 -4.454 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.814 -3.424 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.095 -5.135 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.142 -5.078 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.743 -5.845 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.287 -4.551 -0.435 1.00 0.00 H new ATOM 191 N CYS A 12 -8.125 -3.870 -0.966 1.00 0.00 N ATOM 192 CA CYS A 12 -8.324 -3.548 -2.394 1.00 0.00 C ATOM 193 C CYS A 12 -8.902 -2.137 -2.610 1.00 0.00 C ATOM 194 O CYS A 12 -8.314 -1.341 -3.340 1.00 0.00 O ATOM 195 CB CYS A 12 -9.186 -4.641 -3.069 1.00 0.00 C ATOM 196 SG CYS A 12 -9.531 -4.382 -4.830 1.00 0.00 S ATOM 0 H CYS A 12 -8.531 -4.760 -0.677 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.345 -3.538 -2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.682 -5.601 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.135 -4.712 -2.537 1.00 0.00 H new ATOM 201 N PRO A 13 -10.034 -1.774 -1.988 1.00 0.00 N ATOM 202 CA PRO A 13 -10.556 -0.393 -2.004 1.00 0.00 C ATOM 203 C PRO A 13 -9.684 0.589 -1.202 1.00 0.00 C ATOM 204 O PRO A 13 -9.518 1.760 -1.547 1.00 0.00 O ATOM 205 CB PRO A 13 -11.956 -0.531 -1.382 1.00 0.00 C ATOM 206 CG PRO A 13 -11.805 -1.711 -0.437 1.00 0.00 C ATOM 207 CD PRO A 13 -10.927 -2.674 -1.242 1.00 0.00 C ATOM 0 HA PRO A 13 -10.567 0.023 -3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -12.251 0.374 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.716 -0.718 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.333 -1.421 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.768 -2.155 -0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.368 -3.348 -0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.521 -3.297 -1.911 1.00 0.00 H new ATOM 215 N THR A 14 -9.124 0.084 -0.095 1.00 0.00 N ATOM 216 CA THR A 14 -8.327 0.913 0.835 1.00 0.00 C ATOM 217 C THR A 14 -7.104 1.537 0.141 1.00 0.00 C ATOM 218 O THR A 14 -7.045 2.734 -0.139 1.00 0.00 O ATOM 219 CB THR A 14 -7.883 0.041 2.036 1.00 0.00 C ATOM 220 OG1 THR A 14 -9.036 -0.534 2.659 1.00 0.00 O ATOM 221 CG2 THR A 14 -7.086 0.829 3.098 1.00 0.00 C ATOM 0 H THR A 14 -9.205 -0.894 0.183 1.00 0.00 H new ATOM 0 HA THR A 14 -8.950 1.737 1.185 1.00 0.00 H new ATOM 0 HB THR A 14 -7.222 -0.729 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.756 -1.087 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.805 0.161 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.187 1.245 2.643 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.703 1.638 3.489 1.00 0.00 H new ATOM 229 N VAL A 15 -6.106 0.691 -0.144 1.00 0.00 N ATOM 230 CA VAL A 15 -4.913 1.115 -0.905 1.00 0.00 C ATOM 231 C VAL A 15 -5.139 1.057 -2.428 1.00 0.00 C ATOM 232 O VAL A 15 -4.275 0.712 -3.237 1.00 0.00 O ATOM 233 CB VAL A 15 -3.684 0.262 -0.481 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.343 0.460 1.014 1.00 0.00 C ATOM 235 CG2 VAL A 15 -3.848 -1.243 -0.796 1.00 0.00 C ATOM 0 H VAL A 15 -6.096 -0.289 0.138 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.717 2.160 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.853 0.627 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.479 -0.152 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.114 1.509 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.196 0.162 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.956 -1.781 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.717 -1.633 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.987 -1.377 -1.869 1.00 0.00 H new ATOM 245 N GLU A 16 -6.356 1.446 -2.820 1.00 0.00 N ATOM 246 CA GLU A 16 -6.727 1.532 -4.242 1.00 0.00 C ATOM 247 C GLU A 16 -6.028 2.713 -4.940 1.00 0.00 C ATOM 248 O GLU A 16 -5.339 2.511 -5.941 1.00 0.00 O ATOM 249 CB GLU A 16 -8.261 1.642 -4.376 1.00 0.00 C ATOM 250 CG GLU A 16 -8.755 1.518 -5.832 1.00 0.00 C ATOM 251 CD GLU A 16 -10.290 1.508 -5.854 1.00 0.00 C ATOM 252 OE1 GLU A 16 -10.896 2.535 -5.544 1.00 0.00 O ATOM 253 OE2 GLU A 16 -10.866 0.469 -6.171 1.00 0.00 O ATOM 0 H GLU A 16 -7.103 1.707 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.391 0.622 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.728 0.863 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.587 2.599 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.378 2.350 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.368 0.603 -6.282 1.00 0.00 H new ATOM 260 N PRO A 17 -6.159 3.959 -4.452 1.00 0.00 N ATOM 261 CA PRO A 17 -5.551 5.134 -5.101 1.00 0.00 C ATOM 262 C PRO A 17 -4.027 5.191 -4.947 1.00 0.00 C ATOM 263 O PRO A 17 -3.271 5.408 -5.893 1.00 0.00 O ATOM 264 CB PRO A 17 -6.223 6.322 -4.394 1.00 0.00 C ATOM 265 CG PRO A 17 -6.461 5.799 -2.986 1.00 0.00 C ATOM 266 CD PRO A 17 -6.884 4.343 -3.225 1.00 0.00 C ATOM 0 HA PRO A 17 -5.707 5.120 -6.180 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.583 7.204 -4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.156 6.605 -4.881 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.561 5.863 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.237 6.365 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.612 3.705 -2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.963 4.257 -3.355 1.00 0.00 H new ATOM 274 N TRP A 18 -3.581 4.967 -3.708 1.00 0.00 N ATOM 275 CA TRP A 18 -2.170 5.165 -3.320 1.00 0.00 C ATOM 276 C TRP A 18 -1.183 4.288 -4.104 1.00 0.00 C ATOM 277 O TRP A 18 -0.074 4.695 -4.444 1.00 0.00 O ATOM 278 CB TRP A 18 -2.000 4.933 -1.802 1.00 0.00 C ATOM 279 CG TRP A 18 -2.974 5.834 -1.031 1.00 0.00 C ATOM 280 CD1 TRP A 18 -3.169 7.214 -1.208 1.00 0.00 C ATOM 281 CD2 TRP A 18 -3.870 5.458 -0.016 1.00 0.00 C ATOM 282 NE1 TRP A 18 -4.137 7.681 -0.375 1.00 0.00 N ATOM 283 CE2 TRP A 18 -4.584 6.625 0.364 1.00 0.00 C ATOM 284 CE3 TRP A 18 -4.129 4.243 0.618 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -5.562 6.530 1.358 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -5.107 4.166 1.612 1.00 0.00 C ATOM 287 CH2 TRP A 18 -5.826 5.306 1.976 1.00 0.00 C ATOM 0 H TRP A 18 -4.178 4.645 -2.946 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.925 6.197 -3.572 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.188 3.887 -1.561 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.974 5.150 -1.503 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.622 7.823 -1.912 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.468 8.644 -0.314 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.572 3.360 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.117 7.409 1.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -5.307 3.223 2.100 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.589 5.241 2.738 1.00 0.00 H new ATOM 298 N ALA A 19 -1.601 3.046 -4.378 1.00 0.00 N ATOM 299 CA ALA A 19 -0.778 2.102 -5.164 1.00 0.00 C ATOM 300 C ALA A 19 -0.357 2.697 -6.517 1.00 0.00 C ATOM 301 O ALA A 19 0.812 2.737 -6.905 1.00 0.00 O ATOM 302 CB ALA A 19 -1.576 0.801 -5.396 1.00 0.00 C ATOM 0 H ALA A 19 -2.497 2.668 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 19 0.130 1.894 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.972 0.102 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.828 0.353 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.492 1.028 -5.942 1.00 0.00 H new ATOM 308 N LYS A 20 -1.368 3.176 -7.249 1.00 0.00 N ATOM 309 CA LYS A 20 -1.153 3.877 -8.532 1.00 0.00 C ATOM 310 C LYS A 20 -0.340 5.165 -8.342 1.00 0.00 C ATOM 311 O LYS A 20 0.513 5.546 -9.146 1.00 0.00 O ATOM 312 CB LYS A 20 -2.516 4.214 -9.180 1.00 0.00 C ATOM 313 CG LYS A 20 -3.290 2.990 -9.732 1.00 0.00 C ATOM 314 CD LYS A 20 -3.543 1.886 -8.684 1.00 0.00 C ATOM 315 CE LYS A 20 -4.538 0.815 -9.167 1.00 0.00 C ATOM 316 NZ LYS A 20 -4.685 -0.213 -8.123 1.00 0.00 N ATOM 0 H LYS A 20 -2.348 3.094 -6.979 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.586 3.213 -9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.139 4.718 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.351 4.920 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.248 3.327 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.731 2.565 -10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.596 1.408 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.923 2.341 -7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.504 1.270 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.183 0.362 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.159 -1.048 -8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.746 -0.484 -7.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.255 0.166 -7.340 1.00 0.00 H new ATOM 330 N LYS A 21 -0.651 5.858 -7.242 1.00 0.00 N ATOM 331 CA LYS A 21 0.059 7.087 -6.842 1.00 0.00 C ATOM 332 C LYS A 21 1.352 6.763 -6.069 1.00 0.00 C ATOM 333 O LYS A 21 1.715 7.343 -5.045 1.00 0.00 O ATOM 334 CB LYS A 21 -0.900 7.925 -5.966 1.00 0.00 C ATOM 335 CG LYS A 21 -2.182 8.345 -6.718 1.00 0.00 C ATOM 336 CD LYS A 21 -3.225 9.024 -5.803 1.00 0.00 C ATOM 337 CE LYS A 21 -2.705 10.311 -5.130 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.342 11.303 -6.153 1.00 0.00 N ATOM 0 H LYS A 21 -1.399 5.588 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 21 0.352 7.646 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.175 7.349 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.380 8.817 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.916 9.028 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.630 7.465 -7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.112 9.263 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.534 8.319 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.470 10.720 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.838 10.082 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.139 12.215 -5.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.499 10.978 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.131 11.419 -6.820 1.00 0.00 H new ATOM 352 N CYS A 22 2.075 5.789 -6.625 1.00 0.00 N ATOM 353 CA CYS A 22 3.337 5.286 -6.056 1.00 0.00 C ATOM 354 C CYS A 22 4.060 4.443 -7.116 1.00 0.00 C ATOM 355 O CYS A 22 3.521 4.074 -8.164 1.00 0.00 O ATOM 356 CB CYS A 22 3.044 4.416 -4.809 1.00 0.00 C ATOM 357 SG CYS A 22 4.557 3.963 -3.925 1.00 0.00 S ATOM 0 H CYS A 22 1.803 5.320 -7.489 1.00 0.00 H new ATOM 0 HA CYS A 22 3.965 6.126 -5.760 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.380 4.959 -4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.518 3.511 -5.114 1.00 0.00 H new ATOM 362 N SER A 23 5.316 4.107 -6.820 1.00 0.00 N ATOM 363 CA SER A 23 6.171 3.390 -7.787 1.00 0.00 C ATOM 364 C SER A 23 6.970 2.255 -7.132 1.00 0.00 C ATOM 365 O SER A 23 6.922 1.988 -5.930 1.00 0.00 O ATOM 366 CB SER A 23 7.130 4.410 -8.445 1.00 0.00 C ATOM 367 OG SER A 23 6.372 5.401 -9.147 1.00 0.00 O ATOM 0 H SER A 23 5.767 4.314 -5.929 1.00 0.00 H new ATOM 0 HA SER A 23 5.530 2.927 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.750 4.884 -7.684 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.804 3.899 -9.133 1.00 0.00 H new ATOM 0 HG SER A 23 6.982 6.047 -9.561 1.00 0.00 H new ATOM 373 N GLY A 24 7.731 1.564 -7.988 1.00 0.00 N ATOM 374 CA GLY A 24 8.536 0.405 -7.566 1.00 0.00 C ATOM 375 C GLY A 24 7.746 -0.908 -7.611 1.00 0.00 C ATOM 376 O GLY A 24 6.554 -0.988 -7.911 1.00 0.00 O ATOM 0 H GLY A 24 7.808 1.786 -8.981 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.411 0.321 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.901 0.571 -6.553 1.00 0.00 H new ATOM 380 N ASP A 25 8.479 -1.975 -7.286 1.00 0.00 N ATOM 381 CA ASP A 25 7.947 -3.352 -7.314 1.00 0.00 C ATOM 382 C ASP A 25 6.711 -3.539 -6.424 1.00 0.00 C ATOM 383 O ASP A 25 5.736 -4.204 -6.768 1.00 0.00 O ATOM 384 CB ASP A 25 9.053 -4.328 -6.851 1.00 0.00 C ATOM 385 CG ASP A 25 10.279 -4.224 -7.770 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.178 -4.604 -8.937 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.318 -3.753 -7.312 1.00 0.00 O ATOM 0 H ASP A 25 9.455 -1.917 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 25 7.639 -3.557 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.340 -4.101 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.672 -5.349 -6.857 1.00 0.00 H new ATOM 392 N ILE A 26 6.787 -2.937 -5.233 1.00 0.00 N ATOM 393 CA ILE A 26 5.709 -3.032 -4.230 1.00 0.00 C ATOM 394 C ILE A 26 4.385 -2.460 -4.757 1.00 0.00 C ATOM 395 O ILE A 26 3.317 -3.067 -4.674 1.00 0.00 O ATOM 396 CB ILE A 26 6.129 -2.270 -2.949 1.00 0.00 C ATOM 397 CG1 ILE A 26 7.528 -2.683 -2.434 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.070 -2.434 -1.838 1.00 0.00 C ATOM 399 CD1 ILE A 26 7.646 -4.176 -2.057 1.00 0.00 C ATOM 0 H ILE A 26 7.585 -2.376 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 26 5.550 -4.087 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 26 6.193 -1.217 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.268 -2.453 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.775 -2.078 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.388 -1.890 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.115 -2.038 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.958 -3.491 -1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.657 -4.384 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.932 -4.409 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.433 -4.790 -2.932 1.00 0.00 H new ATOM 411 N ALA A 27 4.480 -1.242 -5.302 1.00 0.00 N ATOM 412 CA ALA A 27 3.319 -0.554 -5.900 1.00 0.00 C ATOM 413 C ALA A 27 2.629 -1.420 -6.963 1.00 0.00 C ATOM 414 O ALA A 27 1.413 -1.608 -6.995 1.00 0.00 O ATOM 415 CB ALA A 27 3.783 0.774 -6.533 1.00 0.00 C ATOM 0 H ALA A 27 5.348 -0.708 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 27 2.595 -0.362 -5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.928 1.285 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.226 1.408 -5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.523 0.569 -7.306 1.00 0.00 H new ATOM 421 N THR A 28 3.465 -1.968 -7.849 1.00 0.00 N ATOM 422 CA THR A 28 3.009 -2.858 -8.934 1.00 0.00 C ATOM 423 C THR A 28 2.312 -4.121 -8.401 1.00 0.00 C ATOM 424 O THR A 28 1.294 -4.591 -8.914 1.00 0.00 O ATOM 425 CB THR A 28 4.230 -3.259 -9.799 1.00 0.00 C ATOM 426 OG1 THR A 28 4.869 -2.078 -10.292 1.00 0.00 O ATOM 427 CG2 THR A 28 3.855 -4.153 -11.000 1.00 0.00 C ATOM 0 H THR A 28 4.473 -1.812 -7.840 1.00 0.00 H new ATOM 0 HA THR A 28 2.276 -2.315 -9.530 1.00 0.00 H new ATOM 0 HB THR A 28 4.896 -3.835 -9.156 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.443 -1.701 -9.593 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.754 -4.399 -11.565 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.391 -5.071 -10.639 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.155 -3.622 -11.645 1.00 0.00 H new ATOM 435 N TYR A 29 2.899 -4.687 -7.342 1.00 0.00 N ATOM 436 CA TYR A 29 2.414 -5.955 -6.765 1.00 0.00 C ATOM 437 C TYR A 29 0.987 -5.827 -6.216 1.00 0.00 C ATOM 438 O TYR A 29 0.052 -6.498 -6.649 1.00 0.00 O ATOM 439 CB TYR A 29 3.397 -6.429 -5.665 1.00 0.00 C ATOM 440 CG TYR A 29 2.996 -7.736 -5.010 1.00 0.00 C ATOM 441 CD1 TYR A 29 1.913 -7.780 -4.125 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.683 -8.911 -5.321 1.00 0.00 C ATOM 443 CE1 TYR A 29 1.515 -8.995 -3.567 1.00 0.00 C ATOM 444 CE2 TYR A 29 3.284 -10.129 -4.760 1.00 0.00 C ATOM 445 CZ TYR A 29 2.196 -10.169 -3.885 1.00 0.00 C ATOM 446 OH TYR A 29 1.786 -11.370 -3.340 1.00 0.00 O ATOM 0 H TYR A 29 3.709 -4.292 -6.864 1.00 0.00 H new ATOM 0 HA TYR A 29 2.375 -6.702 -7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.390 -6.541 -6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.471 -5.657 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.385 -6.872 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.525 -8.880 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.677 -9.026 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.816 -11.037 -5.003 1.00 0.00 H new ATOM 0 HH TYR A 29 0.811 -11.441 -3.402 1.00 0.00 H new ATOM 456 N ILE A 30 0.835 -4.929 -5.239 1.00 0.00 N ATOM 457 CA ILE A 30 -0.463 -4.705 -4.569 1.00 0.00 C ATOM 458 C ILE A 30 -1.562 -4.271 -5.551 1.00 0.00 C ATOM 459 O ILE A 30 -2.723 -4.670 -5.465 1.00 0.00 O ATOM 460 CB ILE A 30 -0.285 -3.694 -3.407 1.00 0.00 C ATOM 461 CG1 ILE A 30 0.617 -4.326 -2.316 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.639 -3.217 -2.827 1.00 0.00 C ATOM 463 CD1 ILE A 30 0.839 -3.438 -1.076 1.00 0.00 C ATOM 0 H ILE A 30 1.592 -4.341 -4.889 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.800 -5.654 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 30 0.200 -2.800 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.173 -5.269 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.586 -4.563 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.459 -2.511 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.219 -2.730 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.193 -4.074 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.481 -3.959 -0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.314 -2.504 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.121 -3.222 -0.607 1.00 0.00 H new ATOM 475 N LYS A 31 -1.163 -3.414 -6.497 1.00 0.00 N ATOM 476 CA LYS A 31 -2.040 -3.010 -7.615 1.00 0.00 C ATOM 477 C LYS A 31 -2.684 -4.237 -8.279 1.00 0.00 C ATOM 478 O LYS A 31 -3.890 -4.318 -8.505 1.00 0.00 O ATOM 479 CB LYS A 31 -1.190 -2.203 -8.632 1.00 0.00 C ATOM 480 CG LYS A 31 -1.900 -1.736 -9.929 1.00 0.00 C ATOM 481 CD LYS A 31 -2.235 -2.847 -10.955 1.00 0.00 C ATOM 482 CE LYS A 31 -1.010 -3.679 -11.390 1.00 0.00 C ATOM 483 NZ LYS A 31 -1.449 -4.787 -12.250 1.00 0.00 N ATOM 0 H LYS A 31 -0.239 -2.983 -6.516 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.854 -2.388 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.800 -1.322 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.332 -2.813 -8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.826 -1.233 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.269 -0.994 -10.419 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.982 -3.514 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.685 -2.391 -11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.301 -3.048 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.492 -4.068 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.773 -5.574 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.391 -5.109 -11.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.494 -4.463 -13.237 1.00 0.00 H new ATOM 497 N ARG A 32 -1.833 -5.224 -8.576 1.00 0.00 N ATOM 498 CA ARG A 32 -2.277 -6.472 -9.222 1.00 0.00 C ATOM 499 C ARG A 32 -3.235 -7.292 -8.341 1.00 0.00 C ATOM 500 O ARG A 32 -4.228 -7.856 -8.801 1.00 0.00 O ATOM 501 CB ARG A 32 -1.047 -7.323 -9.602 1.00 0.00 C ATOM 502 CG ARG A 32 -1.413 -8.540 -10.478 1.00 0.00 C ATOM 503 CD ARG A 32 -0.173 -9.360 -10.876 1.00 0.00 C ATOM 504 NE ARG A 32 -0.583 -10.457 -11.771 1.00 0.00 N ATOM 505 CZ ARG A 32 0.291 -11.357 -12.220 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.576 -11.310 -11.876 1.00 0.00 N ATOM 507 NH2 ARG A 32 -0.130 -12.328 -13.029 1.00 0.00 N ATOM 0 H ARG A 32 -0.832 -5.187 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.833 -6.194 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.329 -6.699 -10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.555 -7.669 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.111 -9.179 -9.937 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.925 -8.198 -11.377 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.555 -8.721 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.312 -9.762 -9.987 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.560 -10.529 -12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.911 -10.573 -11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.225 -12.011 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.112 -12.377 -13.299 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.530 -13.022 -13.379 1.00 0.00 H new ATOM 521 N GLU A 33 -2.922 -7.375 -7.042 1.00 0.00 N ATOM 522 CA GLU A 33 -3.745 -8.157 -6.093 1.00 0.00 C ATOM 523 C GLU A 33 -5.221 -7.727 -6.130 1.00 0.00 C ATOM 524 O GLU A 33 -6.155 -8.513 -6.281 1.00 0.00 O ATOM 525 CB GLU A 33 -3.228 -7.986 -4.644 1.00 0.00 C ATOM 526 CG GLU A 33 -1.722 -8.258 -4.431 1.00 0.00 C ATOM 527 CD GLU A 33 -1.327 -9.657 -4.921 1.00 0.00 C ATOM 528 OE1 GLU A 33 -1.116 -9.821 -6.124 1.00 0.00 O ATOM 529 OE2 GLU A 33 -1.237 -10.567 -4.099 1.00 0.00 O ATOM 0 H GLU A 33 -2.114 -6.917 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.666 -9.200 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.444 -6.968 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.794 -8.654 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.137 -7.507 -4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.480 -8.161 -3.373 1.00 0.00 H new ATOM 536 N CYS A 34 -5.402 -6.415 -5.975 1.00 0.00 N ATOM 537 CA CYS A 34 -6.733 -5.784 -5.982 1.00 0.00 C ATOM 538 C CYS A 34 -7.407 -5.838 -7.362 1.00 0.00 C ATOM 539 O CYS A 34 -8.506 -6.363 -7.553 1.00 0.00 O ATOM 540 CB CYS A 34 -6.533 -4.324 -5.526 1.00 0.00 C ATOM 541 SG CYS A 34 -8.013 -3.283 -5.579 1.00 0.00 S ATOM 0 H CYS A 34 -4.635 -5.756 -5.841 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.400 -6.326 -5.312 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.150 -4.329 -4.506 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.766 -3.868 -6.152 1.00 0.00 H new ATOM 546 N GLY A 35 -6.703 -5.278 -8.348 1.00 0.00 N ATOM 547 CA GLY A 35 -7.219 -5.158 -9.725 1.00 0.00 C ATOM 548 C GLY A 35 -7.427 -6.517 -10.400 1.00 0.00 C ATOM 549 O GLY A 35 -8.535 -6.926 -10.749 1.00 0.00 O ATOM 0 H GLY A 35 -5.766 -4.896 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.165 -4.617 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.523 -4.565 -10.319 1.00 0.00 H new ATOM 553 N LYS A 36 -6.305 -7.216 -10.599 1.00 0.00 N ATOM 554 CA LYS A 36 -6.306 -8.566 -11.200 1.00 0.00 C ATOM 555 C LYS A 36 -6.803 -9.601 -10.175 1.00 0.00 C ATOM 556 O LYS A 36 -6.058 -10.275 -9.463 1.00 0.00 O ATOM 557 CB LYS A 36 -4.881 -8.904 -11.713 1.00 0.00 C ATOM 558 CG LYS A 36 -4.827 -10.055 -12.750 1.00 0.00 C ATOM 559 CD LYS A 36 -5.211 -11.458 -12.218 1.00 0.00 C ATOM 560 CE LYS A 36 -4.216 -12.025 -11.182 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.926 -12.299 -11.829 1.00 0.00 N ATOM 0 H LYS A 36 -5.377 -6.872 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.988 -8.593 -12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.448 -8.009 -12.160 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.255 -9.170 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.492 -9.806 -13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.817 -10.105 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.202 -11.406 -11.766 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.279 -12.149 -13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.081 -11.314 -10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.615 -12.940 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.153 -12.085 -11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.881 -13.301 -12.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.830 -11.704 -12.677 1.00 0.00 H new ATOM 666 N VAL B 5 -5.343 -6.976 10.610 1.00 0.00 N ATOM 667 CA VAL B 5 -5.387 -6.651 9.168 1.00 0.00 C ATOM 668 C VAL B 5 -4.406 -5.536 8.774 1.00 0.00 C ATOM 669 O VAL B 5 -3.626 -5.647 7.828 1.00 0.00 O ATOM 670 CB VAL B 5 -6.828 -6.259 8.748 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.936 -6.034 7.222 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.880 -7.288 9.218 1.00 0.00 C ATOM 0 HA VAL B 5 -5.078 -7.551 8.637 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.045 -5.316 9.250 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.960 -5.761 6.966 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -6.261 -5.232 6.924 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.663 -6.951 6.699 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.871 -6.967 8.899 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.656 -8.262 8.782 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.856 -7.363 10.305 1.00 0.00 H new ATOM 682 N LYS B 6 -4.459 -4.431 9.526 1.00 0.00 N ATOM 683 CA LYS B 6 -3.598 -3.271 9.231 1.00 0.00 C ATOM 684 C LYS B 6 -2.109 -3.632 9.316 1.00 0.00 C ATOM 685 O LYS B 6 -1.317 -3.381 8.408 1.00 0.00 O ATOM 686 CB LYS B 6 -3.915 -2.112 10.199 1.00 0.00 C ATOM 687 CG LYS B 6 -3.206 -0.804 9.790 1.00 0.00 C ATOM 688 CD LYS B 6 -3.470 0.366 10.762 1.00 0.00 C ATOM 689 CE LYS B 6 -2.957 0.111 12.196 1.00 0.00 C ATOM 690 NZ LYS B 6 -1.506 -0.121 12.176 1.00 0.00 N ATOM 0 H LYS B 6 -5.075 -4.312 10.330 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.808 -2.957 8.208 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.992 -1.947 10.226 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.610 -2.389 11.208 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -2.132 -0.984 9.733 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.535 -0.518 8.791 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -2.995 1.266 10.371 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -4.542 0.561 10.799 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -3.188 0.966 12.831 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -3.466 -0.752 12.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -1.267 -0.883 12.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -1.211 -0.395 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -1.011 0.750 12.454 1.00 0.00 H new ATOM 704 N LEU B 7 -1.735 -4.249 10.438 1.00 0.00 N ATOM 705 CA LEU B 7 -0.332 -4.650 10.674 1.00 0.00 C ATOM 706 C LEU B 7 0.200 -5.680 9.661 1.00 0.00 C ATOM 707 O LEU B 7 1.399 -5.781 9.405 1.00 0.00 O ATOM 708 CB LEU B 7 -0.160 -5.177 12.117 1.00 0.00 C ATOM 709 CG LEU B 7 -0.436 -4.108 13.206 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.256 -4.706 14.618 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.431 -2.842 13.036 1.00 0.00 C ATOM 0 H LEU B 7 -2.373 -4.484 11.198 1.00 0.00 H new ATOM 0 HA LEU B 7 0.267 -3.751 10.533 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.833 -6.021 12.269 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.856 -5.554 12.239 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.473 -3.797 13.082 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.455 -3.939 15.366 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.952 -5.534 14.754 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.766 -5.068 14.732 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.194 -2.130 13.826 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.485 -3.112 13.095 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.227 -2.389 12.066 1.00 0.00 H new ATOM 723 N THR B 8 -0.710 -6.477 9.093 1.00 0.00 N ATOM 724 CA THR B 8 -0.336 -7.471 8.063 1.00 0.00 C ATOM 725 C THR B 8 0.208 -6.799 6.792 1.00 0.00 C ATOM 726 O THR B 8 1.299 -7.082 6.301 1.00 0.00 O ATOM 727 CB THR B 8 -1.558 -8.365 7.727 1.00 0.00 C ATOM 728 OG1 THR B 8 -1.882 -9.165 8.868 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.329 -9.301 6.521 1.00 0.00 C ATOM 0 H THR B 8 -1.704 -6.460 9.321 1.00 0.00 H new ATOM 0 HA THR B 8 0.464 -8.091 8.467 1.00 0.00 H new ATOM 0 HB THR B 8 -2.371 -7.690 7.460 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.655 -9.731 8.662 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.226 -9.895 6.346 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.109 -8.706 5.635 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.490 -9.964 6.729 1.00 0.00 H new ATOM 737 N ILE B 9 -0.602 -5.884 6.250 1.00 0.00 N ATOM 738 CA ILE B 9 -0.253 -5.170 5.006 1.00 0.00 C ATOM 739 C ILE B 9 0.868 -4.132 5.210 1.00 0.00 C ATOM 740 O ILE B 9 1.744 -3.927 4.372 1.00 0.00 O ATOM 741 CB ILE B 9 -1.526 -4.520 4.396 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.287 -3.943 2.979 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.163 -3.455 5.316 1.00 0.00 C ATOM 744 CD1 ILE B 9 -0.864 -5.009 1.947 1.00 0.00 C ATOM 0 H ILE B 9 -1.503 -5.617 6.648 1.00 0.00 H new ATOM 0 HA ILE B 9 0.143 -5.903 4.303 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.240 -5.339 4.303 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.199 -3.456 2.634 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.516 -3.174 3.033 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.047 -3.039 4.833 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.449 -3.915 6.262 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.443 -2.658 5.503 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.713 -4.536 0.976 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.065 -5.479 2.270 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.644 -5.766 1.865 1.00 0.00 H new ATOM 756 N CYS B 10 0.831 -3.484 6.380 1.00 0.00 N ATOM 757 CA CYS B 10 1.737 -2.374 6.740 1.00 0.00 C ATOM 758 C CYS B 10 3.223 -2.541 6.379 1.00 0.00 C ATOM 759 O CYS B 10 3.789 -1.641 5.764 1.00 0.00 O ATOM 760 CB CYS B 10 1.586 -2.038 8.237 1.00 0.00 C ATOM 761 SG CYS B 10 0.269 -0.824 8.489 1.00 0.00 S ATOM 0 H CYS B 10 0.164 -3.715 7.117 1.00 0.00 H new ATOM 0 HA CYS B 10 1.410 -1.549 6.107 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.363 -2.946 8.798 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.527 -1.647 8.624 1.00 0.00 H new ATOM 766 N PRO B 11 3.913 -3.638 6.735 1.00 0.00 N ATOM 767 CA PRO B 11 5.341 -3.836 6.406 1.00 0.00 C ATOM 768 C PRO B 11 5.630 -3.694 4.907 1.00 0.00 C ATOM 769 O PRO B 11 6.604 -3.081 4.464 1.00 0.00 O ATOM 770 CB PRO B 11 5.651 -5.256 6.916 1.00 0.00 C ATOM 771 CG PRO B 11 4.287 -5.928 6.987 1.00 0.00 C ATOM 772 CD PRO B 11 3.377 -4.793 7.464 1.00 0.00 C ATOM 0 HA PRO B 11 5.970 -3.076 6.869 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.322 -5.785 6.240 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.136 -5.233 7.892 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.976 -6.316 6.017 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.285 -6.768 7.682 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.331 -4.979 7.219 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.432 -4.654 8.544 1.00 0.00 H new ATOM 780 N THR B 12 4.741 -4.292 4.109 1.00 0.00 N ATOM 781 CA THR B 12 4.787 -4.142 2.642 1.00 0.00 C ATOM 782 C THR B 12 4.642 -2.666 2.239 1.00 0.00 C ATOM 783 O THR B 12 5.372 -2.125 1.411 1.00 0.00 O ATOM 784 CB THR B 12 3.664 -4.984 1.989 1.00 0.00 C ATOM 785 OG1 THR B 12 3.758 -6.337 2.447 1.00 0.00 O ATOM 786 CG2 THR B 12 3.747 -4.985 0.449 1.00 0.00 C ATOM 0 H THR B 12 3.982 -4.883 4.447 1.00 0.00 H new ATOM 0 HA THR B 12 5.754 -4.500 2.289 1.00 0.00 H new ATOM 0 HB THR B 12 2.715 -4.532 2.277 1.00 0.00 H new ATOM 0 HG1 THR B 12 3.047 -6.872 2.036 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.937 -5.590 0.041 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.659 -3.963 0.079 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.704 -5.402 0.136 1.00 0.00 H new ATOM 794 N LEU B 13 3.661 -2.004 2.862 1.00 0.00 N ATOM 795 CA LEU B 13 3.384 -0.575 2.611 1.00 0.00 C ATOM 796 C LEU B 13 4.566 0.351 2.940 1.00 0.00 C ATOM 797 O LEU B 13 4.719 1.439 2.389 1.00 0.00 O ATOM 798 CB LEU B 13 2.141 -0.122 3.409 1.00 0.00 C ATOM 799 CG LEU B 13 0.847 -0.883 3.042 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.339 -0.410 3.910 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.506 -0.781 1.539 1.00 0.00 C ATOM 0 H LEU B 13 3.040 -2.433 3.548 1.00 0.00 H new ATOM 0 HA LEU B 13 3.203 -0.490 1.540 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.338 -0.253 4.473 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.983 0.944 3.242 1.00 0.00 H new ATOM 0 HG LEU B 13 1.032 -1.936 3.253 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.237 -0.962 3.631 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.115 -0.590 4.961 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.504 0.656 3.751 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.412 -1.333 1.336 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.368 0.266 1.268 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.321 -1.203 0.951 1.00 0.00 H new ATOM 813 N LYS B 14 5.399 -0.071 3.900 1.00 0.00 N ATOM 814 CA LYS B 14 6.634 0.673 4.219 1.00 0.00 C ATOM 815 C LYS B 14 7.600 0.650 3.027 1.00 0.00 C ATOM 816 O LYS B 14 8.187 1.650 2.616 1.00 0.00 O ATOM 817 CB LYS B 14 7.340 0.084 5.462 1.00 0.00 C ATOM 818 CG LYS B 14 6.492 0.119 6.755 1.00 0.00 C ATOM 819 CD LYS B 14 6.052 1.537 7.184 1.00 0.00 C ATOM 820 CE LYS B 14 5.240 1.524 8.498 1.00 0.00 C ATOM 821 NZ LYS B 14 4.866 2.896 8.874 1.00 0.00 N ATOM 0 H LYS B 14 5.249 -0.908 4.463 1.00 0.00 H new ATOM 0 HA LYS B 14 6.348 1.702 4.435 1.00 0.00 H new ATOM 0 HB2 LYS B 14 7.617 -0.949 5.252 1.00 0.00 H new ATOM 0 HB3 LYS B 14 8.265 0.634 5.634 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.604 -0.497 6.611 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.065 -0.332 7.565 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.933 2.166 7.310 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.451 1.984 6.392 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.344 0.915 8.375 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.829 1.068 9.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.291 2.874 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.726 3.456 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.316 3.329 8.105 1.00 0.00 H new ATOM 835 N SER B 15 7.765 -0.554 2.471 1.00 0.00 N ATOM 836 CA SER B 15 8.584 -0.757 1.259 1.00 0.00 C ATOM 837 C SER B 15 8.080 0.088 0.078 1.00 0.00 C ATOM 838 O SER B 15 8.838 0.649 -0.715 1.00 0.00 O ATOM 839 CB SER B 15 8.583 -2.250 0.874 1.00 0.00 C ATOM 840 OG SER B 15 9.047 -3.038 1.974 1.00 0.00 O ATOM 0 H SER B 15 7.344 -1.408 2.837 1.00 0.00 H new ATOM 0 HA SER B 15 9.600 -0.434 1.486 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.577 -2.561 0.592 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.222 -2.411 0.006 1.00 0.00 H new ATOM 0 HG SER B 15 9.042 -3.985 1.723 1.00 0.00 H new ATOM 846 N MET B 16 6.748 0.156 -0.040 1.00 0.00 N ATOM 847 CA MET B 16 6.085 1.013 -1.042 1.00 0.00 C ATOM 848 C MET B 16 6.486 2.487 -0.864 1.00 0.00 C ATOM 849 O MET B 16 6.880 3.195 -1.793 1.00 0.00 O ATOM 850 CB MET B 16 4.550 0.870 -0.890 1.00 0.00 C ATOM 851 CG MET B 16 3.755 1.713 -1.907 1.00 0.00 C ATOM 852 SD MET B 16 1.960 1.586 -1.703 1.00 0.00 S ATOM 853 CE MET B 16 1.715 -0.165 -2.078 1.00 0.00 C ATOM 0 H MET B 16 6.103 -0.373 0.547 1.00 0.00 H new ATOM 0 HA MET B 16 6.398 0.695 -2.037 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.277 -0.179 -1.005 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.263 1.165 0.119 1.00 0.00 H new ATOM 0 HG2 MET B 16 4.051 2.758 -1.811 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.021 1.398 -2.916 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.677 -0.334 -2.363 1.00 0.00 H new ATOM 0 HE2 MET B 16 2.369 -0.456 -2.900 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.951 -0.762 -1.197 1.00 0.00 H new ATOM 863 N ALA B 17 6.383 2.932 0.391 1.00 0.00 N ATOM 864 CA ALA B 17 6.659 4.329 0.779 1.00 0.00 C ATOM 865 C ALA B 17 8.058 4.812 0.363 1.00 0.00 C ATOM 866 O ALA B 17 8.289 5.982 0.063 1.00 0.00 O ATOM 867 CB ALA B 17 6.493 4.470 2.308 1.00 0.00 C ATOM 0 H ALA B 17 6.106 2.338 1.172 1.00 0.00 H new ATOM 0 HA ALA B 17 5.944 4.958 0.249 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.695 5.500 2.603 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.474 4.206 2.589 1.00 0.00 H new ATOM 0 HB3 ALA B 17 7.193 3.804 2.813 1.00 0.00 H new ATOM 873 N LYS B 18 9.011 3.871 0.359 1.00 0.00 N ATOM 874 CA LYS B 18 10.405 4.157 -0.042 1.00 0.00 C ATOM 875 C LYS B 18 10.512 4.954 -1.350 1.00 0.00 C ATOM 876 O LYS B 18 11.349 5.843 -1.518 1.00 0.00 O ATOM 877 CB LYS B 18 11.191 2.836 -0.196 1.00 0.00 C ATOM 878 CG LYS B 18 11.301 2.043 1.122 1.00 0.00 C ATOM 879 CD LYS B 18 12.093 0.730 0.948 1.00 0.00 C ATOM 880 CE LYS B 18 12.257 -0.052 2.269 1.00 0.00 C ATOM 881 NZ LYS B 18 13.029 0.748 3.232 1.00 0.00 N ATOM 0 H LYS B 18 8.847 2.901 0.629 1.00 0.00 H new ATOM 0 HA LYS B 18 10.829 4.774 0.750 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.703 2.215 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS B 18 12.192 3.056 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.787 2.661 1.877 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.301 1.816 1.492 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.585 0.099 0.219 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.078 0.957 0.541 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.278 -0.291 2.684 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.763 -0.999 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.339 0.141 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.861 1.153 2.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.433 1.516 3.602 1.00 0.00 H new ATOM 895 N LYS B 19 9.632 4.618 -2.300 1.00 0.00 N ATOM 896 CA LYS B 19 9.622 5.288 -3.614 1.00 0.00 C ATOM 897 C LYS B 19 8.191 5.448 -4.155 1.00 0.00 C ATOM 898 O LYS B 19 7.756 4.831 -5.129 1.00 0.00 O ATOM 899 CB LYS B 19 10.488 4.458 -4.596 1.00 0.00 C ATOM 900 CG LYS B 19 10.726 5.170 -5.948 1.00 0.00 C ATOM 901 CD LYS B 19 11.456 4.287 -6.983 1.00 0.00 C ATOM 902 CE LYS B 19 10.622 3.061 -7.406 1.00 0.00 C ATOM 903 NZ LYS B 19 11.358 2.291 -8.418 1.00 0.00 N ATOM 0 H LYS B 19 8.922 3.894 -2.190 1.00 0.00 H new ATOM 0 HA LYS B 19 10.035 6.291 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.450 4.244 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.002 3.499 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.766 5.483 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.309 6.075 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.691 4.884 -7.864 1.00 0.00 H new ATOM 0 HD3 LYS B 19 12.404 3.950 -6.564 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.412 2.434 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS B 19 9.661 3.383 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 10.684 1.844 -9.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.986 2.927 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.926 1.556 -7.950 1.00 0.00 H new ATOM 917 N CYS B 20 7.422 6.292 -3.457 1.00 0.00 N ATOM 918 CA CYS B 20 6.100 6.717 -3.962 1.00 0.00 C ATOM 919 C CYS B 20 6.139 8.075 -4.671 1.00 0.00 C ATOM 920 O CYS B 20 7.111 8.831 -4.668 1.00 0.00 O ATOM 921 CB CYS B 20 5.051 6.757 -2.832 1.00 0.00 C ATOM 922 SG CYS B 20 4.587 5.110 -2.258 1.00 0.00 S ATOM 0 H CYS B 20 7.681 6.692 -2.555 1.00 0.00 H new ATOM 0 HA CYS B 20 5.811 5.966 -4.698 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.446 7.332 -1.994 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.162 7.279 -3.185 1.00 0.00 H new ATOM 927 N GLU B 21 4.997 8.371 -5.293 1.00 0.00 N ATOM 928 CA GLU B 21 4.812 9.613 -6.062 1.00 0.00 C ATOM 929 C GLU B 21 4.259 10.729 -5.166 1.00 0.00 C ATOM 930 O GLU B 21 3.520 10.510 -4.207 1.00 0.00 O ATOM 931 CB GLU B 21 3.806 9.308 -7.194 1.00 0.00 C ATOM 932 CG GLU B 21 4.284 8.138 -8.101 1.00 0.00 C ATOM 933 CD GLU B 21 3.215 7.671 -9.107 1.00 0.00 C ATOM 934 OE1 GLU B 21 2.171 8.310 -9.248 1.00 0.00 O ATOM 935 OE2 GLU B 21 3.451 6.653 -9.756 1.00 0.00 O ATOM 0 H GLU B 21 4.177 7.765 -5.282 1.00 0.00 H new ATOM 0 HA GLU B 21 5.767 9.951 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.838 9.058 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.662 10.202 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.174 8.451 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.574 7.296 -7.473 1.00 0.00 H new ATOM 942 N GLY B 22 4.620 11.962 -5.532 1.00 0.00 N ATOM 943 CA GLY B 22 4.225 13.169 -4.775 1.00 0.00 C ATOM 944 C GLY B 22 4.772 13.161 -3.341 1.00 0.00 C ATOM 945 O GLY B 22 5.881 13.605 -3.041 1.00 0.00 O ATOM 0 H GLY B 22 5.190 12.159 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.587 14.056 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.138 13.238 -4.747 1.00 0.00 H new ATOM 949 N SER B 23 3.946 12.621 -2.439 1.00 0.00 N ATOM 950 CA SER B 23 4.322 12.430 -1.023 1.00 0.00 C ATOM 951 C SER B 23 3.300 11.536 -0.295 1.00 0.00 C ATOM 952 O SER B 23 2.971 11.685 0.884 1.00 0.00 O ATOM 953 CB SER B 23 4.428 13.804 -0.315 1.00 0.00 C ATOM 954 OG SER B 23 3.178 14.495 -0.388 1.00 0.00 O ATOM 0 H SER B 23 3.002 12.304 -2.662 1.00 0.00 H new ATOM 0 HA SER B 23 5.291 11.933 -0.990 1.00 0.00 H new ATOM 0 HB2 SER B 23 4.714 13.663 0.727 1.00 0.00 H new ATOM 0 HB3 SER B 23 5.210 14.402 -0.782 1.00 0.00 H new ATOM 0 HG SER B 23 3.256 15.361 0.064 1.00 0.00 H new ATOM 960 N ILE B 24 2.810 10.544 -1.045 1.00 0.00 N ATOM 961 CA ILE B 24 1.838 9.563 -0.528 1.00 0.00 C ATOM 962 C ILE B 24 2.459 8.667 0.553 1.00 0.00 C ATOM 963 O ILE B 24 1.825 8.262 1.526 1.00 0.00 O ATOM 964 CB ILE B 24 1.275 8.725 -1.706 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.559 9.621 -2.749 1.00 0.00 C ATOM 966 CG2 ILE B 24 0.354 7.572 -1.244 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.607 10.450 -2.163 1.00 0.00 C ATOM 0 H ILE B 24 3.070 10.395 -2.020 1.00 0.00 H new ATOM 0 HA ILE B 24 1.017 10.100 -0.053 1.00 0.00 H new ATOM 0 HB ILE B 24 2.138 8.262 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.288 10.299 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.177 8.992 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.007 7.024 -2.114 1.00 0.00 H new ATOM 0 HG22 ILE B 24 0.913 6.897 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.494 7.981 -0.695 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.059 11.051 -2.952 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.357 9.778 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.229 11.106 -1.379 1.00 0.00 H new ATOM 979 N ALA B 25 3.740 8.355 0.342 1.00 0.00 N ATOM 980 CA ALA B 25 4.554 7.580 1.301 1.00 0.00 C ATOM 981 C ALA B 25 4.337 8.002 2.763 1.00 0.00 C ATOM 982 O ALA B 25 4.152 7.192 3.671 1.00 0.00 O ATOM 983 CB ALA B 25 6.037 7.799 0.938 1.00 0.00 C ATOM 0 H ALA B 25 4.249 8.630 -0.498 1.00 0.00 H new ATOM 0 HA ALA B 25 4.255 6.535 1.227 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.667 7.239 1.629 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.217 7.453 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.276 8.860 1.008 1.00 0.00 H new ATOM 989 N THR B 26 4.366 9.322 2.971 1.00 0.00 N ATOM 990 CA THR B 26 4.198 9.917 4.312 1.00 0.00 C ATOM 991 C THR B 26 2.852 9.535 4.949 1.00 0.00 C ATOM 992 O THR B 26 2.759 9.096 6.097 1.00 0.00 O ATOM 993 CB THR B 26 4.310 11.458 4.200 1.00 0.00 C ATOM 994 OG1 THR B 26 5.555 11.800 3.583 1.00 0.00 O ATOM 995 CG2 THR B 26 4.236 12.164 5.572 1.00 0.00 C ATOM 0 H THR B 26 4.505 10.006 2.228 1.00 0.00 H new ATOM 0 HA THR B 26 4.984 9.525 4.958 1.00 0.00 H new ATOM 0 HB THR B 26 3.463 11.795 3.602 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.627 12.775 3.510 1.00 0.00 H new ATOM 0 HG21 THR B 26 4.320 13.242 5.432 1.00 0.00 H new ATOM 0 HG22 THR B 26 3.284 11.933 6.049 1.00 0.00 H new ATOM 0 HG23 THR B 26 5.052 11.816 6.205 1.00 0.00 H new ATOM 1003 N MET B 27 1.783 9.725 4.166 1.00 0.00 N ATOM 1004 CA MET B 27 0.412 9.418 4.619 1.00 0.00 C ATOM 1005 C MET B 27 0.260 7.954 5.051 1.00 0.00 C ATOM 1006 O MET B 27 -0.182 7.624 6.152 1.00 0.00 O ATOM 1007 CB MET B 27 -0.598 9.721 3.485 1.00 0.00 C ATOM 1008 CG MET B 27 -0.858 11.220 3.207 1.00 0.00 C ATOM 1009 SD MET B 27 0.621 12.188 2.808 1.00 0.00 S ATOM 1010 CE MET B 27 1.062 12.805 4.453 1.00 0.00 C ATOM 0 H MET B 27 1.836 10.090 3.215 1.00 0.00 H new ATOM 0 HA MET B 27 0.209 10.048 5.485 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.237 9.257 2.567 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.547 9.245 3.731 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.564 11.304 2.381 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.337 11.659 4.082 1.00 0.00 H new ATOM 0 HE1 MET B 27 1.987 13.379 4.391 1.00 0.00 H new ATOM 0 HE2 MET B 27 0.263 13.445 4.828 1.00 0.00 H new ATOM 0 HE3 MET B 27 1.202 11.964 5.132 1.00 0.00 H new ATOM 1020 N ILE B 28 0.647 7.058 4.139 1.00 0.00 N ATOM 1021 CA ILE B 28 0.589 5.598 4.367 1.00 0.00 C ATOM 1022 C ILE B 28 1.293 5.185 5.669 1.00 0.00 C ATOM 1023 O ILE B 28 0.798 4.408 6.486 1.00 0.00 O ATOM 1024 CB ILE B 28 1.240 4.882 3.155 1.00 0.00 C ATOM 1025 CG1 ILE B 28 0.486 5.160 1.833 1.00 0.00 C ATOM 1026 CG2 ILE B 28 1.416 3.361 3.377 1.00 0.00 C ATOM 1027 CD1 ILE B 28 -0.977 4.668 1.828 1.00 0.00 C ATOM 0 H ILE B 28 1.010 7.316 3.221 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.456 5.305 4.468 1.00 0.00 H new ATOM 0 HB ILE B 28 2.238 5.312 3.066 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.498 6.232 1.639 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.022 4.681 1.014 1.00 0.00 H new ATOM 0 HG21 ILE B 28 1.876 2.915 2.495 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.054 3.191 4.244 1.00 0.00 H new ATOM 0 HG23 ILE B 28 0.442 2.903 3.548 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -1.436 4.900 0.867 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -0.999 3.590 1.990 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -1.531 5.166 2.624 1.00 0.00 H new ATOM 1039 N LYS B 29 2.499 5.734 5.838 1.00 0.00 N ATOM 1040 CA LYS B 29 3.334 5.470 7.025 1.00 0.00 C ATOM 1041 C LYS B 29 2.571 5.816 8.316 1.00 0.00 C ATOM 1042 O LYS B 29 2.508 5.050 9.279 1.00 0.00 O ATOM 1043 CB LYS B 29 4.625 6.313 6.879 1.00 0.00 C ATOM 1044 CG LYS B 29 5.798 5.927 7.813 1.00 0.00 C ATOM 1045 CD LYS B 29 5.633 6.197 9.328 1.00 0.00 C ATOM 1046 CE LYS B 29 5.594 7.690 9.732 1.00 0.00 C ATOM 1047 NZ LYS B 29 4.346 8.330 9.290 1.00 0.00 N ATOM 0 H LYS B 29 2.926 6.370 5.165 1.00 0.00 H new ATOM 0 HA LYS B 29 3.589 4.412 7.092 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.969 6.239 5.847 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.374 7.359 7.057 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.994 4.863 7.682 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.686 6.459 7.473 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.713 5.721 9.667 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.455 5.715 9.858 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.687 7.779 10.814 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.447 8.210 9.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 4.194 9.205 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.411 8.556 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 3.548 7.682 9.449 1.00 0.00 H new ATOM 1061 N LYS B 30 1.946 6.997 8.294 1.00 0.00 N ATOM 1062 CA LYS B 30 1.175 7.517 9.440 1.00 0.00 C ATOM 1063 C LYS B 30 0.092 6.538 9.920 1.00 0.00 C ATOM 1064 O LYS B 30 -0.084 6.271 11.110 1.00 0.00 O ATOM 1065 CB LYS B 30 0.539 8.873 9.062 1.00 0.00 C ATOM 1066 CG LYS B 30 -0.160 9.579 10.247 1.00 0.00 C ATOM 1067 CD LYS B 30 0.770 9.827 11.459 1.00 0.00 C ATOM 1068 CE LYS B 30 2.007 10.682 11.110 1.00 0.00 C ATOM 1069 NZ LYS B 30 2.830 10.860 12.315 1.00 0.00 N ATOM 0 H LYS B 30 1.957 7.621 7.487 1.00 0.00 H new ATOM 0 HA LYS B 30 1.870 7.648 10.269 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.313 9.529 8.664 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.187 8.715 8.264 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.559 10.534 9.905 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.009 8.975 10.569 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.204 10.323 12.248 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.100 8.868 11.858 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.589 10.197 10.326 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.695 11.652 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.665 11.436 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 2.271 11.340 13.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.137 9.930 12.666 1.00 0.00 H new ATOM 1083 N LYS B 31 -0.648 5.997 8.946 1.00 0.00 N ATOM 1084 CA LYS B 31 -1.732 5.028 9.213 1.00 0.00 C ATOM 1085 C LYS B 31 -1.243 3.839 10.050 1.00 0.00 C ATOM 1086 O LYS B 31 -1.819 3.435 11.060 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.280 4.484 7.874 1.00 0.00 C ATOM 1088 CG LYS B 31 -2.811 5.580 6.930 1.00 0.00 C ATOM 1089 CD LYS B 31 -3.204 5.010 5.551 1.00 0.00 C ATOM 1090 CE LYS B 31 -3.645 6.092 4.546 1.00 0.00 C ATOM 1091 NZ LYS B 31 -2.541 7.029 4.296 1.00 0.00 N ATOM 0 H LYS B 31 -0.519 6.212 7.957 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.508 5.553 9.771 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.490 3.931 7.366 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.082 3.776 8.081 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -3.677 6.062 7.384 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -2.049 6.349 6.801 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.357 4.463 5.137 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.014 4.292 5.680 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -3.955 5.626 3.611 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.509 6.631 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -2.838 7.992 4.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -1.717 6.756 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -2.285 7.003 3.288 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.130 3.270 9.582 1.00 0.00 N ATOM 1106 CA CYS B 32 0.501 2.107 10.229 1.00 0.00 C ATOM 1107 C CYS B 32 0.923 2.354 11.684 1.00 0.00 C ATOM 1108 O CYS B 32 0.910 1.460 12.530 1.00 0.00 O ATOM 1109 CB CYS B 32 1.700 1.650 9.377 1.00 0.00 C ATOM 1110 SG CYS B 32 1.120 0.890 7.841 1.00 0.00 S ATOM 0 H CYS B 32 0.360 3.596 8.749 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.251 1.320 10.283 1.00 0.00 H new ATOM 0 HB2 CYS B 32 2.341 2.502 9.150 1.00 0.00 H new ATOM 0 HB3 CYS B 32 2.304 0.937 9.939 1.00 0.00 H new