USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 45:sc= 0.845 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.2!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.081) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -1.43 (180deg=-4.74!) USER MOD Single : A 29 GLN : amide:sc= -0.797 X(o=-0.8,f=-1.2!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.08) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0815 USER MOD Single : A 49 CYS SG : rot -50:sc= 0.345 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 151:sc= 1.14 USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= -0.228 (180deg=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0865 K(o=-0.086,f=-1.5!) USER MOD Single : A 61 ASN : amide:sc= -0.0853 K(o=-0.085,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.180 2.731 -21.402 1.00 0.00 N ATOM 2 CA GLY A 1 4.102 2.239 -20.396 1.00 0.00 C ATOM 3 C GLY A 1 5.335 1.599 -21.002 1.00 0.00 C ATOM 4 O GLY A 1 5.454 0.373 -21.036 1.00 0.00 O ATOM 0 H1 GLY A 1 2.354 3.159 -20.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.656 3.446 -21.989 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.868 1.941 -22.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.405 3.064 -19.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.592 1.511 -19.765 1.00 0.00 H new ATOM 8 N SER A 2 6.254 2.429 -21.485 1.00 0.00 N ATOM 9 CA SER A 2 7.482 1.936 -22.098 1.00 0.00 C ATOM 10 C SER A 2 8.598 1.819 -21.064 1.00 0.00 C ATOM 11 O SER A 2 9.226 0.771 -20.928 1.00 0.00 O ATOM 12 CB SER A 2 7.918 2.865 -23.233 1.00 0.00 C ATOM 13 OG SER A 2 9.100 2.391 -23.855 1.00 0.00 O ATOM 0 H SER A 2 6.172 3.445 -21.464 1.00 0.00 H new ATOM 0 HA SER A 2 7.283 0.944 -22.505 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.120 2.941 -23.972 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.087 3.868 -22.842 1.00 0.00 H new ATOM 0 HG SER A 2 9.357 3.001 -24.578 1.00 0.00 H new ATOM 19 N SER A 3 8.838 2.906 -20.337 1.00 0.00 N ATOM 20 CA SER A 3 9.880 2.930 -19.317 1.00 0.00 C ATOM 21 C SER A 3 9.499 2.048 -18.132 1.00 0.00 C ATOM 22 O SER A 3 8.527 2.319 -17.428 1.00 0.00 O ATOM 23 CB SER A 3 10.127 4.363 -18.843 1.00 0.00 C ATOM 24 OG SER A 3 11.003 5.047 -19.722 1.00 0.00 O ATOM 0 H SER A 3 8.325 3.782 -20.436 1.00 0.00 H new ATOM 0 HA SER A 3 10.796 2.539 -19.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.179 4.897 -18.781 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.552 4.349 -17.839 1.00 0.00 H new ATOM 0 HG SER A 3 11.143 5.961 -19.398 1.00 0.00 H new ATOM 30 N GLY A 4 10.274 0.988 -17.917 1.00 0.00 N ATOM 31 CA GLY A 4 10.003 0.082 -16.817 1.00 0.00 C ATOM 32 C GLY A 4 10.208 0.734 -15.464 1.00 0.00 C ATOM 33 O GLY A 4 9.244 1.031 -14.758 1.00 0.00 O ATOM 0 H GLY A 4 11.084 0.742 -18.485 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.977 -0.278 -16.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.653 -0.789 -16.899 1.00 0.00 H new ATOM 37 N SER A 5 11.467 0.956 -15.101 1.00 0.00 N ATOM 38 CA SER A 5 11.796 1.572 -13.821 1.00 0.00 C ATOM 39 C SER A 5 12.169 3.040 -14.005 1.00 0.00 C ATOM 40 O SER A 5 13.315 3.366 -14.312 1.00 0.00 O ATOM 41 CB SER A 5 12.949 0.822 -13.151 1.00 0.00 C ATOM 42 OG SER A 5 14.106 0.830 -13.968 1.00 0.00 O ATOM 0 H SER A 5 12.276 0.719 -15.675 1.00 0.00 H new ATOM 0 HA SER A 5 10.915 1.516 -13.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.176 1.282 -12.189 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.649 -0.206 -12.949 1.00 0.00 H new ATOM 0 HG SER A 5 14.246 1.731 -14.327 1.00 0.00 H new ATOM 48 N SER A 6 11.192 3.921 -13.814 1.00 0.00 N ATOM 49 CA SER A 6 11.415 5.354 -13.962 1.00 0.00 C ATOM 50 C SER A 6 12.383 5.866 -12.900 1.00 0.00 C ATOM 51 O SER A 6 13.344 6.569 -13.208 1.00 0.00 O ATOM 52 CB SER A 6 10.088 6.111 -13.865 1.00 0.00 C ATOM 53 OG SER A 6 10.259 7.481 -14.183 1.00 0.00 O ATOM 0 H SER A 6 10.238 3.667 -13.556 1.00 0.00 H new ATOM 0 HA SER A 6 11.854 5.528 -14.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.361 5.665 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.684 6.016 -12.857 1.00 0.00 H new ATOM 0 HG SER A 6 9.397 7.943 -14.115 1.00 0.00 H new ATOM 59 N GLY A 7 12.123 5.505 -11.647 1.00 0.00 N ATOM 60 CA GLY A 7 12.979 5.936 -10.558 1.00 0.00 C ATOM 61 C GLY A 7 12.383 5.635 -9.197 1.00 0.00 C ATOM 62 O GLY A 7 12.617 4.566 -8.632 1.00 0.00 O ATOM 0 H GLY A 7 11.335 4.922 -11.367 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.947 5.443 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.158 7.008 -10.644 1.00 0.00 H new ATOM 66 N ASP A 8 11.612 6.578 -8.669 1.00 0.00 N ATOM 67 CA ASP A 8 10.980 6.410 -7.366 1.00 0.00 C ATOM 68 C ASP A 8 11.970 5.844 -6.352 1.00 0.00 C ATOM 69 O ASP A 8 11.623 4.979 -5.547 1.00 0.00 O ATOM 70 CB ASP A 8 9.765 5.488 -7.480 1.00 0.00 C ATOM 71 CG ASP A 8 8.503 6.238 -7.857 1.00 0.00 C ATOM 72 OD1 ASP A 8 8.246 6.394 -9.069 1.00 0.00 O ATOM 73 OD2 ASP A 8 7.772 6.670 -6.941 1.00 0.00 O ATOM 0 H ASP A 8 11.409 7.468 -9.124 1.00 0.00 H new ATOM 0 HA ASP A 8 10.651 7.390 -7.019 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.964 4.720 -8.227 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.610 4.977 -6.530 1.00 0.00 H new ATOM 78 N ARG A 9 13.203 6.337 -6.397 1.00 0.00 N ATOM 79 CA ARG A 9 14.243 5.878 -5.484 1.00 0.00 C ATOM 80 C ARG A 9 13.872 6.189 -4.037 1.00 0.00 C ATOM 81 O ARG A 9 14.317 5.510 -3.113 1.00 0.00 O ATOM 82 CB ARG A 9 15.581 6.536 -5.831 1.00 0.00 C ATOM 83 CG ARG A 9 15.536 8.054 -5.815 1.00 0.00 C ATOM 84 CD ARG A 9 16.666 8.654 -6.638 1.00 0.00 C ATOM 85 NE ARG A 9 17.888 8.814 -5.854 1.00 0.00 N ATOM 86 CZ ARG A 9 19.044 9.219 -6.369 1.00 0.00 C ATOM 87 NH1 ARG A 9 19.134 9.503 -7.661 1.00 0.00 N ATOM 88 NH2 ARG A 9 20.112 9.339 -5.592 1.00 0.00 N ATOM 0 H ARG A 9 13.506 7.054 -7.056 1.00 0.00 H new ATOM 0 HA ARG A 9 14.337 4.798 -5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 9 16.337 6.196 -5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.895 6.201 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.578 8.395 -6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.604 8.410 -4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.868 8.015 -7.497 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.356 9.623 -7.028 1.00 0.00 H new ATOM 0 HE ARG A 9 17.852 8.603 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.315 9.411 -8.262 1.00 0.00 H new ATOM 0 HH12 ARG A 9 20.022 9.814 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.047 9.120 -4.598 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.999 9.650 -5.989 1.00 0.00 H new ATOM 102 N GLN A 10 13.055 7.220 -3.849 1.00 0.00 N ATOM 103 CA GLN A 10 12.626 7.622 -2.515 1.00 0.00 C ATOM 104 C GLN A 10 11.804 6.521 -1.854 1.00 0.00 C ATOM 105 O GLN A 10 10.911 5.941 -2.473 1.00 0.00 O ATOM 106 CB GLN A 10 11.808 8.913 -2.585 1.00 0.00 C ATOM 107 CG GLN A 10 12.655 10.174 -2.528 1.00 0.00 C ATOM 108 CD GLN A 10 14.025 9.984 -3.148 1.00 0.00 C ATOM 109 OE1 GLN A 10 14.918 9.391 -2.542 1.00 0.00 O ATOM 110 NE2 GLN A 10 14.200 10.491 -4.363 1.00 0.00 N ATOM 0 H GLN A 10 12.677 7.792 -4.604 1.00 0.00 H new ATOM 0 HA GLN A 10 13.517 7.798 -1.912 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.228 8.916 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.095 8.927 -1.761 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.135 10.980 -3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.770 10.483 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.433 10.975 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.102 10.396 -4.830 1.00 0.00 H new ATOM 119 N PHE A 11 12.111 6.236 -0.593 1.00 0.00 N ATOM 120 CA PHE A 11 11.401 5.203 0.152 1.00 0.00 C ATOM 121 C PHE A 11 9.946 5.599 0.381 1.00 0.00 C ATOM 122 O PHE A 11 9.653 6.496 1.173 1.00 0.00 O ATOM 123 CB PHE A 11 12.089 4.948 1.495 1.00 0.00 C ATOM 124 CG PHE A 11 13.360 4.156 1.376 1.00 0.00 C ATOM 125 CD1 PHE A 11 14.534 4.762 0.960 1.00 0.00 C ATOM 126 CD2 PHE A 11 13.381 2.805 1.682 1.00 0.00 C ATOM 127 CE1 PHE A 11 15.705 4.036 0.850 1.00 0.00 C ATOM 128 CE2 PHE A 11 14.548 2.073 1.573 1.00 0.00 C ATOM 129 CZ PHE A 11 15.712 2.689 1.158 1.00 0.00 C ATOM 0 H PHE A 11 12.847 6.706 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 11 11.421 4.287 -0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.309 5.905 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.400 4.418 2.152 1.00 0.00 H new ATOM 0 HD1 PHE A 11 14.534 5.815 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 11 12.474 2.318 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.613 4.521 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 11 14.550 1.020 1.812 1.00 0.00 H new ATOM 0 HZ PHE A 11 16.626 2.119 1.074 1.00 0.00 H new ATOM 139 N MET A 12 9.038 4.925 -0.317 1.00 0.00 N ATOM 140 CA MET A 12 7.613 5.208 -0.190 1.00 0.00 C ATOM 141 C MET A 12 6.880 4.031 0.445 1.00 0.00 C ATOM 142 O MET A 12 6.771 2.961 -0.152 1.00 0.00 O ATOM 143 CB MET A 12 7.008 5.521 -1.560 1.00 0.00 C ATOM 144 CG MET A 12 7.454 6.856 -2.131 1.00 0.00 C ATOM 145 SD MET A 12 6.448 8.234 -1.543 1.00 0.00 S ATOM 146 CE MET A 12 7.208 9.602 -2.412 1.00 0.00 C ATOM 0 H MET A 12 9.263 4.180 -0.976 1.00 0.00 H new ATOM 0 HA MET A 12 7.498 6.078 0.457 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.279 4.728 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.921 5.515 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 12 8.496 7.032 -1.863 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.407 6.815 -3.219 1.00 0.00 H new ATOM 0 HE1 MET A 12 6.695 10.528 -2.152 1.00 0.00 H new ATOM 0 HE2 MET A 12 8.258 9.676 -2.127 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.134 9.436 -3.487 1.00 0.00 H new ATOM 156 N ASN A 13 6.380 4.236 1.659 1.00 0.00 N ATOM 157 CA ASN A 13 5.658 3.189 2.376 1.00 0.00 C ATOM 158 C ASN A 13 4.166 3.503 2.438 1.00 0.00 C ATOM 159 O ASN A 13 3.663 3.979 3.455 1.00 0.00 O ATOM 160 CB ASN A 13 6.217 3.034 3.791 1.00 0.00 C ATOM 161 CG ASN A 13 7.460 2.166 3.830 1.00 0.00 C ATOM 162 OD1 ASN A 13 8.582 2.670 3.889 1.00 0.00 O ATOM 163 ND2 ASN A 13 7.266 0.852 3.796 1.00 0.00 N ATOM 0 H ASN A 13 6.461 5.117 2.167 1.00 0.00 H new ATOM 0 HA ASN A 13 5.792 2.252 1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.452 4.018 4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.453 2.599 4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.065 0.218 3.819 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.319 0.477 3.747 1.00 0.00 H new ATOM 170 N VAL A 14 3.464 3.232 1.342 1.00 0.00 N ATOM 171 CA VAL A 14 2.030 3.483 1.272 1.00 0.00 C ATOM 172 C VAL A 14 1.361 2.566 0.253 1.00 0.00 C ATOM 173 O VAL A 14 1.862 2.385 -0.856 1.00 0.00 O ATOM 174 CB VAL A 14 1.734 4.948 0.900 1.00 0.00 C ATOM 175 CG1 VAL A 14 2.438 5.323 -0.395 1.00 0.00 C ATOM 176 CG2 VAL A 14 0.234 5.175 0.785 1.00 0.00 C ATOM 0 H VAL A 14 3.865 2.839 0.491 1.00 0.00 H new ATOM 0 HA VAL A 14 1.624 3.279 2.263 1.00 0.00 H new ATOM 0 HB VAL A 14 2.117 5.590 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.217 6.361 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.514 5.200 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.088 4.677 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.043 6.215 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.174 4.524 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.242 4.949 1.739 1.00 0.00 H new ATOM 186 N TRP A 15 0.227 1.991 0.638 1.00 0.00 N ATOM 187 CA TRP A 15 -0.511 1.094 -0.242 1.00 0.00 C ATOM 188 C TRP A 15 -0.843 1.778 -1.564 1.00 0.00 C ATOM 189 O TRP A 15 -1.553 2.784 -1.593 1.00 0.00 O ATOM 190 CB TRP A 15 -1.797 0.622 0.439 1.00 0.00 C ATOM 191 CG TRP A 15 -1.584 -0.524 1.382 1.00 0.00 C ATOM 192 CD1 TRP A 15 -1.452 -0.455 2.739 1.00 0.00 C ATOM 193 CD2 TRP A 15 -1.475 -1.909 1.036 1.00 0.00 C ATOM 194 NE1 TRP A 15 -1.269 -1.714 3.259 1.00 0.00 N ATOM 195 CE2 TRP A 15 -1.280 -2.623 2.235 1.00 0.00 C ATOM 196 CE3 TRP A 15 -1.526 -2.616 -0.168 1.00 0.00 C ATOM 197 CZ2 TRP A 15 -1.135 -4.009 2.261 1.00 0.00 C ATOM 198 CZ3 TRP A 15 -1.382 -3.990 -0.141 1.00 0.00 C ATOM 199 CH2 TRP A 15 -1.188 -4.674 1.067 1.00 0.00 C ATOM 0 H TRP A 15 -0.201 2.130 1.553 1.00 0.00 H new ATOM 0 HA TRP A 15 0.120 0.230 -0.450 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.237 1.456 0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.516 0.326 -0.325 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -1.486 0.455 3.319 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.145 -1.935 4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.675 -2.098 -1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.986 -4.539 3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.420 -4.546 -1.066 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.078 -5.748 1.055 1.00 0.00 H new ATOM 210 N THR A 16 -0.326 1.226 -2.657 1.00 0.00 N ATOM 211 CA THR A 16 -0.567 1.784 -3.982 1.00 0.00 C ATOM 212 C THR A 16 -1.412 0.840 -4.830 1.00 0.00 C ATOM 213 O THR A 16 -1.538 -0.344 -4.520 1.00 0.00 O ATOM 214 CB THR A 16 0.754 2.074 -4.718 1.00 0.00 C ATOM 215 OG1 THR A 16 1.495 0.859 -4.892 1.00 0.00 O ATOM 216 CG2 THR A 16 1.594 3.080 -3.947 1.00 0.00 C ATOM 0 H THR A 16 0.262 0.393 -2.651 1.00 0.00 H new ATOM 0 HA THR A 16 -1.107 2.720 -3.838 1.00 0.00 H new ATOM 0 HB THR A 16 0.515 2.497 -5.694 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.333 1.051 -5.362 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.522 3.269 -4.487 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.039 4.012 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.824 2.681 -2.959 1.00 0.00 H new ATOM 224 N ASP A 17 -1.989 1.372 -5.902 1.00 0.00 N ATOM 225 CA ASP A 17 -2.821 0.576 -6.797 1.00 0.00 C ATOM 226 C ASP A 17 -2.149 -0.752 -7.126 1.00 0.00 C ATOM 227 O ASP A 17 -2.724 -1.820 -6.915 1.00 0.00 O ATOM 228 CB ASP A 17 -3.107 1.351 -8.085 1.00 0.00 C ATOM 229 CG ASP A 17 -4.006 2.550 -7.852 1.00 0.00 C ATOM 230 OD1 ASP A 17 -5.243 2.382 -7.902 1.00 0.00 O ATOM 231 OD2 ASP A 17 -3.474 3.656 -7.621 1.00 0.00 O ATOM 0 H ASP A 17 -1.896 2.351 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.763 0.369 -6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.166 1.686 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.575 0.685 -8.810 1.00 0.00 H new ATOM 236 N HIS A 18 -0.928 -0.679 -7.646 1.00 0.00 N ATOM 237 CA HIS A 18 -0.177 -1.876 -8.005 1.00 0.00 C ATOM 238 C HIS A 18 -0.209 -2.898 -6.873 1.00 0.00 C ATOM 239 O HIS A 18 -0.404 -4.091 -7.107 1.00 0.00 O ATOM 240 CB HIS A 18 1.271 -1.515 -8.340 1.00 0.00 C ATOM 241 CG HIS A 18 1.397 -0.505 -9.439 1.00 0.00 C ATOM 242 ND1 HIS A 18 0.615 -0.527 -10.575 1.00 0.00 N ATOM 243 CD2 HIS A 18 2.220 0.561 -9.572 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.952 0.481 -11.359 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.924 1.158 -10.773 1.00 0.00 N ATOM 0 H HIS A 18 -0.438 0.197 -7.828 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.646 -2.318 -8.884 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.757 -1.128 -7.444 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.806 -2.421 -8.627 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.970 0.883 -8.865 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.509 0.713 -12.316 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.380 1.988 -11.151 1.00 0.00 H new ATOM 253 N GLU A 19 -0.017 -2.422 -5.647 1.00 0.00 N ATOM 254 CA GLU A 19 -0.023 -3.296 -4.479 1.00 0.00 C ATOM 255 C GLU A 19 -1.401 -3.920 -4.274 1.00 0.00 C ATOM 256 O GLU A 19 -1.543 -5.142 -4.241 1.00 0.00 O ATOM 257 CB GLU A 19 0.387 -2.515 -3.229 1.00 0.00 C ATOM 258 CG GLU A 19 1.822 -2.017 -3.265 1.00 0.00 C ATOM 259 CD GLU A 19 2.820 -3.082 -2.852 1.00 0.00 C ATOM 260 OE1 GLU A 19 3.049 -3.238 -1.635 1.00 0.00 O ATOM 261 OE2 GLU A 19 3.371 -3.758 -3.746 1.00 0.00 O ATOM 0 H GLU A 19 0.144 -1.437 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 19 0.697 -4.096 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.281 -1.663 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.254 -3.151 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.058 -1.674 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.921 -1.156 -2.604 1.00 0.00 H new ATOM 268 N LYS A 20 -2.413 -3.071 -4.135 1.00 0.00 N ATOM 269 CA LYS A 20 -3.780 -3.536 -3.933 1.00 0.00 C ATOM 270 C LYS A 20 -4.118 -4.667 -4.899 1.00 0.00 C ATOM 271 O LYS A 20 -4.594 -5.725 -4.487 1.00 0.00 O ATOM 272 CB LYS A 20 -4.767 -2.381 -4.119 1.00 0.00 C ATOM 273 CG LYS A 20 -4.603 -1.271 -3.095 1.00 0.00 C ATOM 274 CD LYS A 20 -5.281 0.011 -3.550 1.00 0.00 C ATOM 275 CE LYS A 20 -5.129 1.118 -2.517 1.00 0.00 C ATOM 276 NZ LYS A 20 -6.222 1.087 -1.507 1.00 0.00 N ATOM 0 H LYS A 20 -2.312 -2.056 -4.159 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.861 -3.915 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.641 -1.964 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.784 -2.770 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.025 -1.589 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.543 -1.083 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.851 0.335 -4.498 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.339 -0.179 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.167 1.016 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.126 2.085 -3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.083 1.856 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.138 1.209 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.210 0.174 -1.010 1.00 0.00 H new ATOM 290 N GLU A 21 -3.867 -4.438 -6.184 1.00 0.00 N ATOM 291 CA GLU A 21 -4.144 -5.438 -7.207 1.00 0.00 C ATOM 292 C GLU A 21 -3.554 -6.791 -6.819 1.00 0.00 C ATOM 293 O GLU A 21 -4.197 -7.829 -6.979 1.00 0.00 O ATOM 294 CB GLU A 21 -3.579 -4.991 -8.556 1.00 0.00 C ATOM 295 CG GLU A 21 -4.451 -3.977 -9.277 1.00 0.00 C ATOM 296 CD GLU A 21 -3.765 -3.371 -10.485 1.00 0.00 C ATOM 297 OE1 GLU A 21 -3.630 -4.076 -11.507 1.00 0.00 O ATOM 298 OE2 GLU A 21 -3.364 -2.191 -10.409 1.00 0.00 O ATOM 0 H GLU A 21 -3.472 -3.568 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.226 -5.543 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.589 -4.561 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.450 -5.865 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.376 -4.459 -9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.726 -3.182 -8.584 1.00 0.00 H new ATOM 305 N ILE A 22 -2.328 -6.770 -6.308 1.00 0.00 N ATOM 306 CA ILE A 22 -1.651 -7.994 -5.897 1.00 0.00 C ATOM 307 C ILE A 22 -2.317 -8.604 -4.668 1.00 0.00 C ATOM 308 O ILE A 22 -2.510 -9.818 -4.591 1.00 0.00 O ATOM 309 CB ILE A 22 -0.164 -7.739 -5.587 1.00 0.00 C ATOM 310 CG1 ILE A 22 0.571 -7.284 -6.850 1.00 0.00 C ATOM 311 CG2 ILE A 22 0.481 -8.991 -5.014 1.00 0.00 C ATOM 312 CD1 ILE A 22 1.853 -6.533 -6.565 1.00 0.00 C ATOM 0 H ILE A 22 -1.783 -5.919 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.725 -8.691 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.094 -6.946 -4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.799 -8.156 -7.462 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.091 -6.647 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.532 -8.794 -4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.029 -9.275 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.404 -9.803 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.321 -6.241 -7.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.630 -5.642 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.534 -7.174 -6.005 1.00 0.00 H new ATOM 324 N PHE A 23 -2.668 -7.754 -3.709 1.00 0.00 N ATOM 325 CA PHE A 23 -3.313 -8.208 -2.483 1.00 0.00 C ATOM 326 C PHE A 23 -4.544 -9.055 -2.798 1.00 0.00 C ATOM 327 O PHE A 23 -4.810 -10.056 -2.134 1.00 0.00 O ATOM 328 CB PHE A 23 -3.711 -7.012 -1.616 1.00 0.00 C ATOM 329 CG PHE A 23 -4.439 -7.396 -0.361 1.00 0.00 C ATOM 330 CD1 PHE A 23 -5.785 -7.726 -0.398 1.00 0.00 C ATOM 331 CD2 PHE A 23 -3.779 -7.430 0.857 1.00 0.00 C ATOM 332 CE1 PHE A 23 -6.458 -8.080 0.756 1.00 0.00 C ATOM 333 CE2 PHE A 23 -4.447 -7.783 2.014 1.00 0.00 C ATOM 334 CZ PHE A 23 -5.788 -8.109 1.964 1.00 0.00 C ATOM 0 H PHE A 23 -2.516 -6.746 -3.757 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.600 -8.823 -1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.814 -6.453 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.341 -6.343 -2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.314 -7.706 -1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.730 -7.178 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.507 -8.334 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.921 -7.804 2.957 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.312 -8.386 2.867 1.00 0.00 H new ATOM 344 N LYS A 24 -5.293 -8.642 -3.816 1.00 0.00 N ATOM 345 CA LYS A 24 -6.495 -9.359 -4.221 1.00 0.00 C ATOM 346 C LYS A 24 -6.148 -10.535 -5.130 1.00 0.00 C ATOM 347 O LYS A 24 -6.660 -11.641 -4.954 1.00 0.00 O ATOM 348 CB LYS A 24 -7.461 -8.413 -4.939 1.00 0.00 C ATOM 349 CG LYS A 24 -8.839 -9.010 -5.168 1.00 0.00 C ATOM 350 CD LYS A 24 -9.698 -8.109 -6.040 1.00 0.00 C ATOM 351 CE LYS A 24 -11.149 -8.564 -6.051 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.984 -7.734 -6.962 1.00 0.00 N ATOM 0 H LYS A 24 -5.088 -7.814 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.976 -9.747 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.563 -7.499 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.032 -8.130 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.739 -9.987 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.332 -9.168 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.640 -7.084 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.308 -8.107 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.200 -9.608 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.553 -8.512 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.966 -8.076 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.956 -6.742 -6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.614 -7.803 -7.931 1.00 0.00 H new ATOM 366 N ASP A 25 -5.275 -10.288 -6.100 1.00 0.00 N ATOM 367 CA ASP A 25 -4.857 -11.326 -7.035 1.00 0.00 C ATOM 368 C ASP A 25 -4.701 -12.667 -6.324 1.00 0.00 C ATOM 369 O ASP A 25 -5.318 -13.660 -6.707 1.00 0.00 O ATOM 370 CB ASP A 25 -3.540 -10.936 -7.708 1.00 0.00 C ATOM 371 CG ASP A 25 -3.754 -10.122 -8.969 1.00 0.00 C ATOM 372 OD1 ASP A 25 -4.698 -9.305 -8.995 1.00 0.00 O ATOM 373 OD2 ASP A 25 -2.979 -10.302 -9.932 1.00 0.00 O ATOM 0 H ASP A 25 -4.843 -9.378 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.630 -11.426 -7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.933 -10.363 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.979 -11.838 -7.952 1.00 0.00 H new ATOM 378 N LYS A 26 -3.870 -12.688 -5.286 1.00 0.00 N ATOM 379 CA LYS A 26 -3.632 -13.905 -4.520 1.00 0.00 C ATOM 380 C LYS A 26 -4.853 -14.267 -3.681 1.00 0.00 C ATOM 381 O LYS A 26 -5.305 -15.413 -3.687 1.00 0.00 O ATOM 382 CB LYS A 26 -2.411 -13.731 -3.615 1.00 0.00 C ATOM 383 CG LYS A 26 -1.087 -13.887 -4.343 1.00 0.00 C ATOM 384 CD LYS A 26 -0.644 -12.582 -4.982 1.00 0.00 C ATOM 385 CE LYS A 26 0.645 -12.757 -5.770 1.00 0.00 C ATOM 386 NZ LYS A 26 0.738 -11.793 -6.902 1.00 0.00 N ATOM 0 H LYS A 26 -3.350 -11.875 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.443 -14.716 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.449 -12.744 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.460 -14.462 -2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.324 -14.228 -3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.181 -14.655 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.429 -12.214 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.499 -11.828 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.498 -12.620 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.700 -13.775 -6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.910 -12.312 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.153 -11.262 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.522 -11.131 -6.731 1.00 0.00 H new ATOM 400 N PHE A 27 -5.384 -13.285 -2.961 1.00 0.00 N ATOM 401 CA PHE A 27 -6.553 -13.500 -2.117 1.00 0.00 C ATOM 402 C PHE A 27 -7.518 -14.486 -2.767 1.00 0.00 C ATOM 403 O PHE A 27 -7.928 -15.469 -2.148 1.00 0.00 O ATOM 404 CB PHE A 27 -7.266 -12.172 -1.848 1.00 0.00 C ATOM 405 CG PHE A 27 -8.313 -12.262 -0.775 1.00 0.00 C ATOM 406 CD1 PHE A 27 -7.980 -12.068 0.555 1.00 0.00 C ATOM 407 CD2 PHE A 27 -9.632 -12.540 -1.097 1.00 0.00 C ATOM 408 CE1 PHE A 27 -8.941 -12.148 1.545 1.00 0.00 C ATOM 409 CE2 PHE A 27 -10.598 -12.622 -0.112 1.00 0.00 C ATOM 410 CZ PHE A 27 -10.252 -12.427 1.211 1.00 0.00 C ATOM 0 H PHE A 27 -5.023 -12.331 -2.945 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.214 -13.920 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.527 -11.423 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.731 -11.825 -2.771 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.956 -11.851 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.908 -12.694 -2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.667 -11.993 2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.623 -12.838 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.005 -12.493 1.983 1.00 0.00 H new ATOM 420 N ILE A 28 -7.878 -14.217 -4.017 1.00 0.00 N ATOM 421 CA ILE A 28 -8.795 -15.080 -4.751 1.00 0.00 C ATOM 422 C ILE A 28 -8.346 -16.535 -4.690 1.00 0.00 C ATOM 423 O ILE A 28 -9.135 -17.424 -4.370 1.00 0.00 O ATOM 424 CB ILE A 28 -8.912 -14.651 -6.226 1.00 0.00 C ATOM 425 CG1 ILE A 28 -9.445 -13.220 -6.323 1.00 0.00 C ATOM 426 CG2 ILE A 28 -9.816 -15.611 -6.986 1.00 0.00 C ATOM 427 CD1 ILE A 28 -9.047 -12.514 -7.600 1.00 0.00 C ATOM 0 H ILE A 28 -7.548 -13.408 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.771 -14.983 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.920 -14.681 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.532 -13.240 -6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.080 -12.646 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.889 -15.295 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.399 -16.617 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.809 -15.609 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.459 -11.505 -7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.960 -12.462 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.435 -13.065 -8.457 1.00 0.00 H new ATOM 439 N GLN A 29 -7.075 -16.771 -4.998 1.00 0.00 N ATOM 440 CA GLN A 29 -6.521 -18.119 -4.977 1.00 0.00 C ATOM 441 C GLN A 29 -6.372 -18.625 -3.546 1.00 0.00 C ATOM 442 O GLN A 29 -7.048 -19.568 -3.135 1.00 0.00 O ATOM 443 CB GLN A 29 -5.165 -18.147 -5.685 1.00 0.00 C ATOM 444 CG GLN A 29 -5.270 -18.253 -7.198 1.00 0.00 C ATOM 445 CD GLN A 29 -5.514 -16.911 -7.860 1.00 0.00 C ATOM 446 OE1 GLN A 29 -4.791 -15.946 -7.618 1.00 0.00 O ATOM 447 NE2 GLN A 29 -6.538 -16.846 -8.704 1.00 0.00 N ATOM 0 H GLN A 29 -6.409 -16.046 -5.265 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.212 -18.777 -5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.613 -17.242 -5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.586 -18.991 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.352 -18.687 -7.593 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.081 -18.934 -7.456 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.111 -17.672 -8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.751 -15.970 -9.181 1.00 0.00 H new ATOM 456 N HIS A 30 -5.480 -17.990 -2.790 1.00 0.00 N ATOM 457 CA HIS A 30 -5.242 -18.375 -1.403 1.00 0.00 C ATOM 458 C HIS A 30 -5.816 -17.337 -0.445 1.00 0.00 C ATOM 459 O HIS A 30 -5.095 -16.521 0.129 1.00 0.00 O ATOM 460 CB HIS A 30 -3.744 -18.548 -1.150 1.00 0.00 C ATOM 461 CG HIS A 30 -3.182 -19.815 -1.718 1.00 0.00 C ATOM 462 ND1 HIS A 30 -3.364 -21.049 -1.131 1.00 0.00 N ATOM 463 CD2 HIS A 30 -2.439 -20.034 -2.829 1.00 0.00 C ATOM 464 CE1 HIS A 30 -2.757 -21.972 -1.855 1.00 0.00 C ATOM 465 NE2 HIS A 30 -2.188 -21.382 -2.891 1.00 0.00 N ATOM 0 H HIS A 30 -4.911 -17.208 -3.114 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.745 -19.325 -1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.211 -17.700 -1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.561 -18.529 -0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.106 -19.287 -3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.730 -23.029 -1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.650 -21.852 -3.619 1.00 0.00 H new ATOM 473 N PRO A 31 -7.146 -17.367 -0.266 1.00 0.00 N ATOM 474 CA PRO A 31 -7.846 -16.434 0.622 1.00 0.00 C ATOM 475 C PRO A 31 -7.544 -16.698 2.093 1.00 0.00 C ATOM 476 O PRO A 31 -7.293 -17.835 2.492 1.00 0.00 O ATOM 477 CB PRO A 31 -9.323 -16.701 0.323 1.00 0.00 C ATOM 478 CG PRO A 31 -9.360 -18.103 -0.180 1.00 0.00 C ATOM 479 CD PRO A 31 -8.067 -18.312 -0.918 1.00 0.00 C ATOM 0 HA PRO A 31 -7.542 -15.401 0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.935 -16.585 1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.709 -16.003 -0.420 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.458 -18.811 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.215 -18.259 -0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.716 -19.340 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.173 -18.101 -1.982 1.00 0.00 H new ATOM 487 N LYS A 32 -7.571 -15.641 2.897 1.00 0.00 N ATOM 488 CA LYS A 32 -7.302 -15.757 4.325 1.00 0.00 C ATOM 489 C LYS A 32 -5.892 -16.284 4.572 1.00 0.00 C ATOM 490 O LYS A 32 -5.626 -16.917 5.592 1.00 0.00 O ATOM 491 CB LYS A 32 -8.327 -16.684 4.984 1.00 0.00 C ATOM 492 CG LYS A 32 -9.645 -16.001 5.306 1.00 0.00 C ATOM 493 CD LYS A 32 -10.540 -16.890 6.153 1.00 0.00 C ATOM 494 CE LYS A 32 -11.319 -17.875 5.296 1.00 0.00 C ATOM 495 NZ LYS A 32 -12.388 -18.562 6.072 1.00 0.00 N ATOM 0 H LYS A 32 -7.777 -14.693 2.583 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.382 -14.764 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.517 -17.530 4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.902 -17.087 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.453 -15.067 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.158 -15.743 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.933 -17.436 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.235 -16.272 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.764 -17.349 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.635 -18.617 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.896 -19.225 5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.961 -19.085 6.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.055 -17.856 6.444 1.00 0.00 H new ATOM 509 N ASN A 33 -4.992 -16.014 3.633 1.00 0.00 N ATOM 510 CA ASN A 33 -3.608 -16.460 3.749 1.00 0.00 C ATOM 511 C ASN A 33 -2.644 -15.286 3.604 1.00 0.00 C ATOM 512 O ASN A 33 -2.178 -14.983 2.505 1.00 0.00 O ATOM 513 CB ASN A 33 -3.301 -17.521 2.690 1.00 0.00 C ATOM 514 CG ASN A 33 -2.146 -18.418 3.089 1.00 0.00 C ATOM 515 OD1 ASN A 33 -2.322 -19.381 3.837 1.00 0.00 O ATOM 516 ND2 ASN A 33 -0.955 -18.108 2.590 1.00 0.00 N ATOM 0 H ASN A 33 -5.196 -15.488 2.783 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.475 -16.896 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.189 -18.130 2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.067 -17.030 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.141 -18.677 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.854 -17.301 1.974 1.00 0.00 H new ATOM 523 N PHE A 34 -2.348 -14.629 4.721 1.00 0.00 N ATOM 524 CA PHE A 34 -1.439 -13.488 4.718 1.00 0.00 C ATOM 525 C PHE A 34 0.010 -13.948 4.588 1.00 0.00 C ATOM 526 O PHE A 34 0.891 -13.167 4.232 1.00 0.00 O ATOM 527 CB PHE A 34 -1.613 -12.668 5.998 1.00 0.00 C ATOM 528 CG PHE A 34 -3.023 -12.203 6.224 1.00 0.00 C ATOM 529 CD1 PHE A 34 -3.704 -11.507 5.237 1.00 0.00 C ATOM 530 CD2 PHE A 34 -3.667 -12.457 7.424 1.00 0.00 C ATOM 531 CE1 PHE A 34 -5.001 -11.076 5.442 1.00 0.00 C ATOM 532 CE2 PHE A 34 -4.965 -12.030 7.634 1.00 0.00 C ATOM 533 CZ PHE A 34 -5.632 -11.337 6.642 1.00 0.00 C ATOM 0 H PHE A 34 -2.724 -14.867 5.639 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.682 -12.863 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.296 -13.268 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.955 -11.800 5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.215 -11.299 4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.149 -12.995 8.204 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.520 -10.536 4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.457 -12.238 8.573 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.645 -11.000 6.805 1.00 0.00 H new ATOM 543 N GLY A 35 0.249 -15.224 4.880 1.00 0.00 N ATOM 544 CA GLY A 35 1.592 -15.766 4.790 1.00 0.00 C ATOM 545 C GLY A 35 2.149 -15.705 3.382 1.00 0.00 C ATOM 546 O GLY A 35 3.354 -15.538 3.189 1.00 0.00 O ATOM 0 H GLY A 35 -0.463 -15.891 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.249 -15.213 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.586 -16.801 5.130 1.00 0.00 H new ATOM 550 N LEU A 36 1.271 -15.845 2.394 1.00 0.00 N ATOM 551 CA LEU A 36 1.682 -15.809 0.995 1.00 0.00 C ATOM 552 C LEU A 36 1.609 -14.387 0.444 1.00 0.00 C ATOM 553 O LEU A 36 2.625 -13.807 0.060 1.00 0.00 O ATOM 554 CB LEU A 36 0.800 -16.737 0.159 1.00 0.00 C ATOM 555 CG LEU A 36 1.351 -17.132 -1.211 1.00 0.00 C ATOM 556 CD1 LEU A 36 2.466 -18.156 -1.063 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.239 -17.677 -2.096 1.00 0.00 C ATOM 0 H LEU A 36 0.271 -15.984 2.536 1.00 0.00 H new ATOM 0 HA LEU A 36 2.715 -16.151 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.619 -17.647 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.166 -16.254 0.014 1.00 0.00 H new ATOM 0 HG LEU A 36 1.763 -16.242 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.846 -18.425 -2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.273 -17.731 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.079 -19.046 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.649 -17.953 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.203 -18.555 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.527 -16.913 -2.230 1.00 0.00 H new ATOM 569 N ILE A 37 0.402 -13.833 0.409 1.00 0.00 N ATOM 570 CA ILE A 37 0.198 -12.479 -0.092 1.00 0.00 C ATOM 571 C ILE A 37 1.319 -11.550 0.361 1.00 0.00 C ATOM 572 O ILE A 37 1.695 -10.622 -0.352 1.00 0.00 O ATOM 573 CB ILE A 37 -1.151 -11.903 0.377 1.00 0.00 C ATOM 574 CG1 ILE A 37 -2.293 -12.847 -0.003 1.00 0.00 C ATOM 575 CG2 ILE A 37 -1.375 -10.524 -0.223 1.00 0.00 C ATOM 576 CD1 ILE A 37 -3.666 -12.240 0.182 1.00 0.00 C ATOM 0 H ILE A 37 -0.449 -14.300 0.721 1.00 0.00 H new ATOM 0 HA ILE A 37 0.199 -12.542 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.130 -11.807 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.175 -13.147 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.221 -13.752 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.333 -10.130 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.574 -9.855 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.379 -10.597 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.426 -12.966 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.805 -11.966 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.758 -11.351 -0.442 1.00 0.00 H new ATOM 588 N ALA A 38 1.851 -11.811 1.551 1.00 0.00 N ATOM 589 CA ALA A 38 2.932 -11.000 2.098 1.00 0.00 C ATOM 590 C ALA A 38 4.276 -11.400 1.497 1.00 0.00 C ATOM 591 O ALA A 38 5.126 -10.550 1.232 1.00 0.00 O ATOM 592 CB ALA A 38 2.971 -11.125 3.614 1.00 0.00 C ATOM 0 H ALA A 38 1.551 -12.577 2.154 1.00 0.00 H new ATOM 0 HA ALA A 38 2.741 -9.959 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.783 -10.514 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.024 -10.783 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.134 -12.167 3.889 1.00 0.00 H new ATOM 598 N SER A 39 4.461 -12.700 1.286 1.00 0.00 N ATOM 599 CA SER A 39 5.703 -13.212 0.721 1.00 0.00 C ATOM 600 C SER A 39 6.045 -12.495 -0.581 1.00 0.00 C ATOM 601 O SER A 39 7.206 -12.182 -0.844 1.00 0.00 O ATOM 602 CB SER A 39 5.592 -14.719 0.473 1.00 0.00 C ATOM 603 OG SER A 39 6.673 -15.188 -0.313 1.00 0.00 O ATOM 0 H SER A 39 3.767 -13.417 1.498 1.00 0.00 H new ATOM 0 HA SER A 39 6.503 -13.026 1.438 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.576 -15.247 1.426 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.650 -14.939 -0.030 1.00 0.00 H new ATOM 0 HG SER A 39 6.579 -16.153 -0.456 1.00 0.00 H new ATOM 609 N TYR A 40 5.025 -12.240 -1.393 1.00 0.00 N ATOM 610 CA TYR A 40 5.216 -11.562 -2.670 1.00 0.00 C ATOM 611 C TYR A 40 5.553 -10.089 -2.459 1.00 0.00 C ATOM 612 O TYR A 40 6.453 -9.546 -3.103 1.00 0.00 O ATOM 613 CB TYR A 40 3.959 -11.689 -3.532 1.00 0.00 C ATOM 614 CG TYR A 40 3.896 -12.977 -4.322 1.00 0.00 C ATOM 615 CD1 TYR A 40 4.546 -13.097 -5.544 1.00 0.00 C ATOM 616 CD2 TYR A 40 3.185 -14.073 -3.847 1.00 0.00 C ATOM 617 CE1 TYR A 40 4.491 -14.271 -6.270 1.00 0.00 C ATOM 618 CE2 TYR A 40 3.126 -15.252 -4.566 1.00 0.00 C ATOM 619 CZ TYR A 40 3.780 -15.345 -5.777 1.00 0.00 C ATOM 620 OH TYR A 40 3.722 -16.517 -6.496 1.00 0.00 O ATOM 0 H TYR A 40 4.058 -12.492 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 40 6.051 -12.038 -3.184 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.080 -11.622 -2.891 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.915 -10.846 -4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.104 -12.258 -5.933 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.670 -14.002 -2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.002 -14.347 -7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.571 -16.095 -4.182 1.00 0.00 H new ATOM 0 HH TYR A 40 3.182 -17.174 -6.008 1.00 0.00 H new ATOM 630 N LEU A 41 4.826 -9.445 -1.552 1.00 0.00 N ATOM 631 CA LEU A 41 5.047 -8.035 -1.254 1.00 0.00 C ATOM 632 C LEU A 41 6.153 -7.864 -0.218 1.00 0.00 C ATOM 633 O LEU A 41 5.882 -7.635 0.960 1.00 0.00 O ATOM 634 CB LEU A 41 3.755 -7.391 -0.749 1.00 0.00 C ATOM 635 CG LEU A 41 2.559 -7.448 -1.700 1.00 0.00 C ATOM 636 CD1 LEU A 41 1.254 -7.385 -0.922 1.00 0.00 C ATOM 637 CD2 LEU A 41 2.631 -6.317 -2.716 1.00 0.00 C ATOM 0 H LEU A 41 4.078 -9.878 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 41 5.357 -7.539 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.473 -7.875 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.960 -6.346 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 41 2.592 -8.396 -2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.414 -7.427 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.199 -8.229 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.212 -6.454 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.772 -6.373 -3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.624 -5.359 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.549 -6.407 -3.297 1.00 0.00 H new ATOM 649 N GLU A 42 7.400 -7.973 -0.667 1.00 0.00 N ATOM 650 CA GLU A 42 8.546 -7.829 0.222 1.00 0.00 C ATOM 651 C GLU A 42 8.466 -6.522 1.006 1.00 0.00 C ATOM 652 O GLU A 42 8.708 -6.495 2.213 1.00 0.00 O ATOM 653 CB GLU A 42 9.850 -7.878 -0.578 1.00 0.00 C ATOM 654 CG GLU A 42 9.983 -6.754 -1.592 1.00 0.00 C ATOM 655 CD GLU A 42 11.256 -6.854 -2.409 1.00 0.00 C ATOM 656 OE1 GLU A 42 12.338 -7.016 -1.805 1.00 0.00 O ATOM 657 OE2 GLU A 42 11.172 -6.770 -3.652 1.00 0.00 O ATOM 0 H GLU A 42 7.641 -8.160 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 42 8.531 -8.658 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.692 -7.835 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.912 -8.834 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.123 -6.770 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.964 -5.796 -1.072 1.00 0.00 H new ATOM 664 N ARG A 43 8.126 -5.442 0.311 1.00 0.00 N ATOM 665 CA ARG A 43 8.016 -4.132 0.941 1.00 0.00 C ATOM 666 C ARG A 43 7.111 -4.193 2.168 1.00 0.00 C ATOM 667 O ARG A 43 7.256 -3.401 3.100 1.00 0.00 O ATOM 668 CB ARG A 43 7.472 -3.107 -0.056 1.00 0.00 C ATOM 669 CG ARG A 43 8.394 -2.859 -1.239 1.00 0.00 C ATOM 670 CD ARG A 43 9.602 -2.028 -0.839 1.00 0.00 C ATOM 671 NE ARG A 43 10.114 -1.234 -1.953 1.00 0.00 N ATOM 672 CZ ARG A 43 9.413 -0.284 -2.561 1.00 0.00 C ATOM 673 NH1 ARG A 43 8.177 -0.012 -2.166 1.00 0.00 N ATOM 674 NH2 ARG A 43 9.947 0.395 -3.568 1.00 0.00 N ATOM 0 H ARG A 43 7.922 -5.448 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 43 9.012 -3.826 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.505 -3.449 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.299 -2.164 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.727 -3.813 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.844 -2.347 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.330 -1.366 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.389 -2.686 -0.471 1.00 0.00 H new ATOM 0 HE ARG A 43 11.062 -1.419 -2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.762 -0.533 -1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.641 0.718 -2.635 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.897 0.188 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.408 1.124 -4.034 1.00 0.00 H new ATOM 688 N LYS A 44 6.178 -5.138 2.162 1.00 0.00 N ATOM 689 CA LYS A 44 5.250 -5.306 3.274 1.00 0.00 C ATOM 690 C LYS A 44 5.509 -6.616 4.009 1.00 0.00 C ATOM 691 O LYS A 44 6.123 -7.533 3.463 1.00 0.00 O ATOM 692 CB LYS A 44 3.805 -5.268 2.770 1.00 0.00 C ATOM 693 CG LYS A 44 3.450 -3.987 2.035 1.00 0.00 C ATOM 694 CD LYS A 44 3.306 -2.816 2.992 1.00 0.00 C ATOM 695 CE LYS A 44 3.112 -1.506 2.245 1.00 0.00 C ATOM 696 NZ LYS A 44 3.501 -0.332 3.075 1.00 0.00 N ATOM 0 H LYS A 44 6.044 -5.801 1.398 1.00 0.00 H new ATOM 0 HA LYS A 44 5.407 -4.483 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.638 -6.116 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.130 -5.390 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.222 -3.763 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.518 -4.127 1.487 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.457 -2.988 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.193 -2.749 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.706 -1.518 1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.068 -1.410 1.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.354 0.542 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.917 -0.306 3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.504 -0.411 3.340 1.00 0.00 H new ATOM 710 N SER A 45 5.037 -6.699 5.248 1.00 0.00 N ATOM 711 CA SER A 45 5.221 -7.898 6.058 1.00 0.00 C ATOM 712 C SER A 45 3.916 -8.681 6.173 1.00 0.00 C ATOM 713 O SER A 45 2.882 -8.267 5.648 1.00 0.00 O ATOM 714 CB SER A 45 5.730 -7.525 7.452 1.00 0.00 C ATOM 715 OG SER A 45 6.376 -8.625 8.070 1.00 0.00 O ATOM 0 H SER A 45 4.524 -5.950 5.714 1.00 0.00 H new ATOM 0 HA SER A 45 5.961 -8.529 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.423 -6.687 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.896 -7.194 8.071 1.00 0.00 H new ATOM 0 HG SER A 45 6.694 -8.361 8.959 1.00 0.00 H new ATOM 721 N VAL A 46 3.973 -9.814 6.865 1.00 0.00 N ATOM 722 CA VAL A 46 2.797 -10.656 7.052 1.00 0.00 C ATOM 723 C VAL A 46 1.737 -9.943 7.884 1.00 0.00 C ATOM 724 O VAL A 46 0.601 -9.746 7.452 1.00 0.00 O ATOM 725 CB VAL A 46 3.161 -11.986 7.735 1.00 0.00 C ATOM 726 CG1 VAL A 46 2.014 -12.470 8.610 1.00 0.00 C ATOM 727 CG2 VAL A 46 3.529 -13.035 6.697 1.00 0.00 C ATOM 0 H VAL A 46 4.821 -10.170 7.306 1.00 0.00 H new ATOM 0 HA VAL A 46 2.397 -10.864 6.060 1.00 0.00 H new ATOM 0 HB VAL A 46 4.028 -11.820 8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.290 -13.412 9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.803 -11.725 9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.126 -12.620 7.996 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.784 -13.969 7.198 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.683 -13.200 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.385 -12.689 6.118 1.00 0.00 H new ATOM 737 N PRO A 47 2.115 -9.545 9.108 1.00 0.00 N ATOM 738 CA PRO A 47 1.213 -8.847 10.028 1.00 0.00 C ATOM 739 C PRO A 47 0.891 -7.431 9.561 1.00 0.00 C ATOM 740 O PRO A 47 0.156 -6.701 10.225 1.00 0.00 O ATOM 741 CB PRO A 47 2.001 -8.811 11.340 1.00 0.00 C ATOM 742 CG PRO A 47 3.429 -8.893 10.926 1.00 0.00 C ATOM 743 CD PRO A 47 3.454 -9.747 9.689 1.00 0.00 C ATOM 0 HA PRO A 47 0.248 -9.346 10.109 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.802 -7.895 11.896 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.728 -9.644 11.989 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.834 -7.901 10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.039 -9.332 11.715 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.241 -9.436 9.002 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.635 -10.795 9.928 1.00 0.00 H new ATOM 751 N ASP A 48 1.446 -7.050 8.415 1.00 0.00 N ATOM 752 CA ASP A 48 1.217 -5.722 7.859 1.00 0.00 C ATOM 753 C ASP A 48 -0.004 -5.719 6.945 1.00 0.00 C ATOM 754 O ASP A 48 -0.745 -4.737 6.885 1.00 0.00 O ATOM 755 CB ASP A 48 2.450 -5.251 7.085 1.00 0.00 C ATOM 756 CG ASP A 48 3.516 -4.670 7.992 1.00 0.00 C ATOM 757 OD1 ASP A 48 3.706 -5.207 9.104 1.00 0.00 O ATOM 758 OD2 ASP A 48 4.162 -3.680 7.590 1.00 0.00 O ATOM 0 H ASP A 48 2.058 -7.642 7.853 1.00 0.00 H new ATOM 0 HA ASP A 48 1.032 -5.036 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.868 -6.090 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.151 -4.500 6.353 1.00 0.00 H new ATOM 763 N CYS A 49 -0.208 -6.823 6.235 1.00 0.00 N ATOM 764 CA CYS A 49 -1.340 -6.947 5.323 1.00 0.00 C ATOM 765 C CYS A 49 -2.612 -7.311 6.081 1.00 0.00 C ATOM 766 O CYS A 49 -3.694 -6.810 5.775 1.00 0.00 O ATOM 767 CB CYS A 49 -1.047 -8.003 4.256 1.00 0.00 C ATOM 768 SG CYS A 49 0.190 -7.499 3.038 1.00 0.00 S ATOM 0 H CYS A 49 0.395 -7.645 6.273 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.492 -5.983 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.707 -8.915 4.747 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.974 -8.246 3.737 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.112 -6.323 2.574 1.00 0.00 H new ATOM 774 N VAL A 50 -2.475 -8.188 7.071 1.00 0.00 N ATOM 775 CA VAL A 50 -3.613 -8.619 7.873 1.00 0.00 C ATOM 776 C VAL A 50 -4.550 -7.453 8.170 1.00 0.00 C ATOM 777 O VAL A 50 -5.768 -7.625 8.246 1.00 0.00 O ATOM 778 CB VAL A 50 -3.157 -9.248 9.203 1.00 0.00 C ATOM 779 CG1 VAL A 50 -2.709 -8.170 10.177 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.272 -10.091 9.803 1.00 0.00 C ATOM 0 H VAL A 50 -1.587 -8.614 7.336 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.145 -9.369 7.288 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.307 -9.900 9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.390 -8.633 11.111 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.877 -7.613 9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.538 -7.490 10.374 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.933 -10.528 10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.143 -9.463 9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.540 -10.887 9.109 1.00 0.00 H new ATOM 790 N LEU A 51 -3.975 -6.268 8.337 1.00 0.00 N ATOM 791 CA LEU A 51 -4.759 -5.071 8.625 1.00 0.00 C ATOM 792 C LEU A 51 -5.707 -4.751 7.474 1.00 0.00 C ATOM 793 O LEU A 51 -6.916 -4.624 7.668 1.00 0.00 O ATOM 794 CB LEU A 51 -3.833 -3.882 8.885 1.00 0.00 C ATOM 795 CG LEU A 51 -3.081 -3.895 10.217 1.00 0.00 C ATOM 796 CD1 LEU A 51 -1.783 -3.111 10.104 1.00 0.00 C ATOM 797 CD2 LEU A 51 -3.954 -3.328 11.327 1.00 0.00 C ATOM 0 H LEU A 51 -2.969 -6.109 8.278 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.354 -5.262 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.102 -3.834 8.078 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.425 -2.968 8.834 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.837 -4.928 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.261 -3.131 11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.152 -3.561 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.004 -2.079 9.833 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.403 -3.345 12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.228 -2.301 11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.857 -3.931 11.424 1.00 0.00 H new ATOM 809 N TYR A 52 -5.150 -4.623 6.274 1.00 0.00 N ATOM 810 CA TYR A 52 -5.945 -4.318 5.091 1.00 0.00 C ATOM 811 C TYR A 52 -7.245 -5.116 5.087 1.00 0.00 C ATOM 812 O TYR A 52 -8.332 -4.554 4.946 1.00 0.00 O ATOM 813 CB TYR A 52 -5.146 -4.616 3.822 1.00 0.00 C ATOM 814 CG TYR A 52 -5.798 -4.099 2.560 1.00 0.00 C ATOM 815 CD1 TYR A 52 -6.817 -4.810 1.939 1.00 0.00 C ATOM 816 CD2 TYR A 52 -5.395 -2.898 1.988 1.00 0.00 C ATOM 817 CE1 TYR A 52 -7.415 -4.342 0.785 1.00 0.00 C ATOM 818 CE2 TYR A 52 -5.988 -2.422 0.835 1.00 0.00 C ATOM 819 CZ TYR A 52 -6.998 -3.147 0.237 1.00 0.00 C ATOM 820 OH TYR A 52 -7.592 -2.677 -0.912 1.00 0.00 O ATOM 0 H TYR A 52 -4.151 -4.726 6.096 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.192 -3.257 5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.154 -4.174 3.915 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.008 -5.694 3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.148 -5.745 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.605 -2.327 2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.205 -4.909 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.663 -1.487 0.404 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.184 -1.823 -1.166 1.00 0.00 H new ATOM 830 N TYR A 53 -7.125 -6.429 5.243 1.00 0.00 N ATOM 831 CA TYR A 53 -8.289 -7.307 5.256 1.00 0.00 C ATOM 832 C TYR A 53 -9.400 -6.727 6.125 1.00 0.00 C ATOM 833 O TYR A 53 -10.583 -6.856 5.809 1.00 0.00 O ATOM 834 CB TYR A 53 -7.900 -8.696 5.765 1.00 0.00 C ATOM 835 CG TYR A 53 -9.080 -9.526 6.219 1.00 0.00 C ATOM 836 CD1 TYR A 53 -10.016 -9.997 5.307 1.00 0.00 C ATOM 837 CD2 TYR A 53 -9.257 -9.841 7.561 1.00 0.00 C ATOM 838 CE1 TYR A 53 -11.095 -10.755 5.719 1.00 0.00 C ATOM 839 CE2 TYR A 53 -10.332 -10.599 7.981 1.00 0.00 C ATOM 840 CZ TYR A 53 -11.249 -11.053 7.056 1.00 0.00 C ATOM 841 OH TYR A 53 -12.322 -11.809 7.470 1.00 0.00 O ATOM 0 H TYR A 53 -6.233 -6.909 5.362 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.660 -7.392 4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.374 -9.230 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.202 -8.587 6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -9.898 -9.767 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.541 -9.487 8.288 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.814 -11.112 4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.454 -10.835 9.028 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.282 -11.929 8.442 1.00 0.00 H new ATOM 851 N TYR A 54 -9.010 -6.086 7.222 1.00 0.00 N ATOM 852 CA TYR A 54 -9.971 -5.487 8.139 1.00 0.00 C ATOM 853 C TYR A 54 -10.490 -4.159 7.594 1.00 0.00 C ATOM 854 O TYR A 54 -11.697 -3.920 7.555 1.00 0.00 O ATOM 855 CB TYR A 54 -9.332 -5.273 9.512 1.00 0.00 C ATOM 856 CG TYR A 54 -9.262 -6.530 10.350 1.00 0.00 C ATOM 857 CD1 TYR A 54 -8.438 -7.586 9.984 1.00 0.00 C ATOM 858 CD2 TYR A 54 -10.020 -6.659 11.508 1.00 0.00 C ATOM 859 CE1 TYR A 54 -8.371 -8.736 10.746 1.00 0.00 C ATOM 860 CE2 TYR A 54 -9.958 -7.806 12.276 1.00 0.00 C ATOM 861 CZ TYR A 54 -9.132 -8.841 11.891 1.00 0.00 C ATOM 862 OH TYR A 54 -9.069 -9.986 12.654 1.00 0.00 O ATOM 0 H TYR A 54 -8.035 -5.968 7.497 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.813 -6.171 8.240 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.324 -4.880 9.377 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.900 -4.516 10.054 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.839 -7.507 9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.668 -5.850 11.812 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.726 -9.549 10.447 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.553 -7.891 13.173 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.665 -9.898 13.427 1.00 0.00 H new ATOM 872 N LEU A 55 -9.568 -3.300 7.174 1.00 0.00 N ATOM 873 CA LEU A 55 -9.930 -1.996 6.629 1.00 0.00 C ATOM 874 C LEU A 55 -11.021 -2.131 5.572 1.00 0.00 C ATOM 875 O LEU A 55 -12.021 -1.413 5.600 1.00 0.00 O ATOM 876 CB LEU A 55 -8.701 -1.314 6.026 1.00 0.00 C ATOM 877 CG LEU A 55 -7.764 -0.622 7.017 1.00 0.00 C ATOM 878 CD1 LEU A 55 -8.349 0.710 7.464 1.00 0.00 C ATOM 879 CD2 LEU A 55 -7.498 -1.519 8.216 1.00 0.00 C ATOM 0 H LEU A 55 -8.565 -3.483 7.200 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.314 -1.383 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.129 -2.061 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.040 -0.575 5.300 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.815 -0.429 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.669 1.188 8.169 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.486 1.356 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.312 0.541 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.829 -1.010 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.439 -1.744 8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.035 -2.447 7.881 1.00 0.00 H new ATOM 891 N THR A 56 -10.823 -3.057 4.639 1.00 0.00 N ATOM 892 CA THR A 56 -11.789 -3.288 3.573 1.00 0.00 C ATOM 893 C THR A 56 -13.061 -3.932 4.113 1.00 0.00 C ATOM 894 O THR A 56 -14.130 -3.818 3.514 1.00 0.00 O ATOM 895 CB THR A 56 -11.202 -4.186 2.468 1.00 0.00 C ATOM 896 OG1 THR A 56 -9.987 -3.617 1.968 1.00 0.00 O ATOM 897 CG2 THR A 56 -12.194 -4.358 1.327 1.00 0.00 C ATOM 0 H THR A 56 -10.001 -3.660 4.600 1.00 0.00 H new ATOM 0 HA THR A 56 -12.030 -2.313 3.149 1.00 0.00 H new ATOM 0 HB THR A 56 -10.994 -5.165 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.399 -4.332 1.646 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.758 -4.996 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.107 -4.818 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.429 -3.383 0.899 1.00 0.00 H new ATOM 905 N LYS A 57 -12.939 -4.608 5.251 1.00 0.00 N ATOM 906 CA LYS A 57 -14.079 -5.269 5.874 1.00 0.00 C ATOM 907 C LYS A 57 -14.407 -4.633 7.221 1.00 0.00 C ATOM 908 O LYS A 57 -14.653 -5.330 8.206 1.00 0.00 O ATOM 909 CB LYS A 57 -13.791 -6.761 6.059 1.00 0.00 C ATOM 910 CG LYS A 57 -14.138 -7.602 4.843 1.00 0.00 C ATOM 911 CD LYS A 57 -15.579 -8.082 4.889 1.00 0.00 C ATOM 912 CE LYS A 57 -15.711 -9.379 5.670 1.00 0.00 C ATOM 913 NZ LYS A 57 -15.945 -9.132 7.120 1.00 0.00 N ATOM 0 H LYS A 57 -12.061 -4.712 5.760 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.940 -5.150 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.734 -6.892 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.355 -7.128 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.977 -7.017 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.469 -8.461 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.204 -7.315 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.947 -8.229 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.535 -9.965 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.805 -9.972 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.495 -9.918 7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.031 -9.062 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.472 -8.244 7.240 1.00 0.00 H new ATOM 927 N LYS A 58 -14.410 -3.305 7.258 1.00 0.00 N ATOM 928 CA LYS A 58 -14.710 -2.573 8.483 1.00 0.00 C ATOM 929 C LYS A 58 -16.110 -1.969 8.427 1.00 0.00 C ATOM 930 O LYS A 58 -16.361 -1.030 7.673 1.00 0.00 O ATOM 931 CB LYS A 58 -13.676 -1.469 8.709 1.00 0.00 C ATOM 932 CG LYS A 58 -14.045 -0.510 9.826 1.00 0.00 C ATOM 933 CD LYS A 58 -13.337 0.826 9.671 1.00 0.00 C ATOM 934 CE LYS A 58 -13.912 1.875 10.611 1.00 0.00 C ATOM 935 NZ LYS A 58 -13.298 3.214 10.391 1.00 0.00 N ATOM 0 H LYS A 58 -14.208 -2.713 6.453 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.669 -3.276 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.713 -1.926 8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.550 -0.906 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.124 -0.353 9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.783 -0.952 10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.273 0.700 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.429 1.170 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.990 1.942 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.749 1.566 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.717 3.900 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.273 3.157 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.475 3.521 9.413 1.00 0.00 H new ATOM 949 N ASN A 59 -17.018 -2.514 9.231 1.00 0.00 N ATOM 950 CA ASN A 59 -18.392 -2.028 9.272 1.00 0.00 C ATOM 951 C ASN A 59 -18.756 -1.548 10.674 1.00 0.00 C ATOM 952 O ASN A 59 -18.024 -1.788 11.633 1.00 0.00 O ATOM 953 CB ASN A 59 -19.358 -3.129 8.831 1.00 0.00 C ATOM 954 CG ASN A 59 -19.512 -3.193 7.324 1.00 0.00 C ATOM 955 OD1 ASN A 59 -19.416 -2.177 6.635 1.00 0.00 O ATOM 956 ND2 ASN A 59 -19.753 -4.391 6.804 1.00 0.00 N ATOM 0 H ASN A 59 -16.827 -3.292 9.862 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.474 -1.186 8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -19.000 -4.091 9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -20.333 -2.957 9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.866 -4.496 5.796 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -19.825 -5.206 7.413 1.00 0.00 H new ATOM 963 N GLU A 60 -19.894 -0.868 10.783 1.00 0.00 N ATOM 964 CA GLU A 60 -20.355 -0.354 12.068 1.00 0.00 C ATOM 965 C GLU A 60 -21.410 -1.275 12.675 1.00 0.00 C ATOM 966 O GLU A 60 -22.576 -1.241 12.286 1.00 0.00 O ATOM 967 CB GLU A 60 -20.927 1.055 11.903 1.00 0.00 C ATOM 968 CG GLU A 60 -21.074 1.810 13.213 1.00 0.00 C ATOM 969 CD GLU A 60 -22.200 1.270 14.074 1.00 0.00 C ATOM 970 OE1 GLU A 60 -23.253 0.905 13.511 1.00 0.00 O ATOM 971 OE2 GLU A 60 -22.027 1.213 15.309 1.00 0.00 O ATOM 0 H GLU A 60 -20.512 -0.661 9.999 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.500 -0.314 12.743 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.280 1.625 11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -21.902 0.988 11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.138 1.753 13.768 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.256 2.864 13.002 1.00 0.00 H new ATOM 978 N ASN A 61 -20.990 -2.096 13.631 1.00 0.00 N ATOM 979 CA ASN A 61 -21.897 -3.027 14.292 1.00 0.00 C ATOM 980 C ASN A 61 -22.597 -2.360 15.473 1.00 0.00 C ATOM 981 O ASN A 61 -23.476 -2.950 16.100 1.00 0.00 O ATOM 982 CB ASN A 61 -21.133 -4.264 14.771 1.00 0.00 C ATOM 983 CG ASN A 61 -22.053 -5.431 15.073 1.00 0.00 C ATOM 984 OD1 ASN A 61 -23.259 -5.365 14.831 1.00 0.00 O ATOM 985 ND2 ASN A 61 -21.487 -6.508 15.605 1.00 0.00 N ATOM 0 H ASN A 61 -20.027 -2.136 13.966 1.00 0.00 H new ATOM 0 HA ASN A 61 -22.653 -3.332 13.569 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.413 -4.561 14.009 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.564 -4.012 15.666 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -22.056 -7.324 15.830 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.484 -6.519 15.789 1.00 0.00 H new TER 992 ASN A 61