USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 526 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 NoAdj-H: A 51 HIS HE2 : A 51 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HE2 : A 56 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 29 LYS NZ :NH3+ -179:sc= -1.84 (180deg=0) USER MOD Set 1.2: A 38 GLN : amide:sc= -3.73! C(o=-5.6!,f=0.081!) 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 24:sc= 0.841 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 57:sc= 0.0395 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 34:sc= 0.149 USER MOD Single : A 19 ASN : amide:sc= -3.99! C(o=-4!,f=-7.4!) USER MOD Single : A 23 CYS SG : rot 180:sc= -0.032 USER MOD Single : A 26 GLN : amide:sc= 0.76 K(o=0.76,f=-6.8!) USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= 1.42 (180deg=0.207) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.341 USER MOD Single : A 44 ASN : amide:sc= -3.48 K(o=-3.5,f=-4.6!) USER MOD Single : A 45 THR OG1 : rot 63:sc= 0.0911 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.515 K(o=-0.51,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -7.18! C(o=-7.2!,f=-18!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.4) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.437 -10.612 10.250 1.00 0.00 N ATOM 2 CA GLY A 1 -12.873 -11.752 9.551 1.00 0.00 C ATOM 3 C GLY A 1 -11.584 -12.240 10.181 1.00 0.00 C ATOM 4 O GLY A 1 -10.494 -11.864 9.751 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.317 -10.317 9.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.642 -10.875 11.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.757 -9.825 10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.600 -12.564 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.686 -11.481 8.512 1.00 0.00 H new ATOM 8 N SER A 2 -11.708 -13.078 11.206 1.00 0.00 N ATOM 9 CA SER A 2 -10.544 -13.613 11.901 1.00 0.00 C ATOM 10 C SER A 2 -9.391 -13.847 10.929 1.00 0.00 C ATOM 11 O SER A 2 -8.240 -13.524 11.225 1.00 0.00 O ATOM 12 CB SER A 2 -10.902 -14.922 12.608 1.00 0.00 C ATOM 13 OG SER A 2 -10.059 -15.145 13.725 1.00 0.00 O ATOM 0 H SER A 2 -12.603 -13.401 11.573 1.00 0.00 H new ATOM 0 HA SER A 2 -10.228 -12.881 12.644 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.942 -14.891 12.934 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.812 -15.753 11.909 1.00 0.00 H new ATOM 0 HG SER A 2 -10.309 -15.987 14.161 1.00 0.00 H new ATOM 19 N SER A 3 -9.709 -14.410 9.768 1.00 0.00 N ATOM 20 CA SER A 3 -8.700 -14.691 8.753 1.00 0.00 C ATOM 21 C SER A 3 -9.340 -14.825 7.374 1.00 0.00 C ATOM 22 O SER A 3 -10.416 -15.403 7.230 1.00 0.00 O ATOM 23 CB SER A 3 -7.939 -15.971 9.101 1.00 0.00 C ATOM 24 OG SER A 3 -6.923 -15.717 10.056 1.00 0.00 O ATOM 0 H SER A 3 -10.657 -14.681 9.507 1.00 0.00 H new ATOM 0 HA SER A 3 -8.000 -13.856 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.633 -16.715 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.497 -16.392 8.198 1.00 0.00 H new ATOM 0 HG SER A 3 -7.147 -14.911 10.566 1.00 0.00 H new ATOM 30 N GLY A 4 -8.667 -14.285 6.362 1.00 0.00 N ATOM 31 CA GLY A 4 -9.184 -14.355 5.007 1.00 0.00 C ATOM 32 C GLY A 4 -8.624 -13.263 4.117 1.00 0.00 C ATOM 33 O GLY A 4 -7.476 -12.849 4.278 1.00 0.00 O ATOM 0 H GLY A 4 -7.774 -13.801 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.943 -15.328 4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.271 -14.278 5.031 1.00 0.00 H new ATOM 37 N SER A 5 -9.437 -12.796 3.174 1.00 0.00 N ATOM 38 CA SER A 5 -9.014 -11.750 2.251 1.00 0.00 C ATOM 39 C SER A 5 -8.509 -10.527 3.010 1.00 0.00 C ATOM 40 O SER A 5 -9.292 -9.674 3.427 1.00 0.00 O ATOM 41 CB SER A 5 -10.172 -11.352 1.333 1.00 0.00 C ATOM 42 OG SER A 5 -9.805 -10.278 0.485 1.00 0.00 O ATOM 0 H SER A 5 -10.391 -13.126 3.030 1.00 0.00 H new ATOM 0 HA SER A 5 -8.197 -12.143 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.473 -12.209 0.730 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.035 -11.066 1.934 1.00 0.00 H new ATOM 0 HG SER A 5 -10.561 -10.044 -0.092 1.00 0.00 H new ATOM 48 N SER A 6 -7.193 -10.449 3.185 1.00 0.00 N ATOM 49 CA SER A 6 -6.582 -9.333 3.898 1.00 0.00 C ATOM 50 C SER A 6 -6.105 -8.262 2.922 1.00 0.00 C ATOM 51 O SER A 6 -5.163 -8.474 2.160 1.00 0.00 O ATOM 52 CB SER A 6 -5.408 -9.825 4.747 1.00 0.00 C ATOM 53 OG SER A 6 -5.863 -10.543 5.880 1.00 0.00 O ATOM 0 H SER A 6 -6.530 -11.145 2.843 1.00 0.00 H new ATOM 0 HA SER A 6 -7.336 -8.894 4.552 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.761 -10.463 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.807 -8.975 5.069 1.00 0.00 H new ATOM 0 HG SER A 6 -6.422 -11.293 5.589 1.00 0.00 H new ATOM 59 N GLY A 7 -6.765 -7.107 2.952 1.00 0.00 N ATOM 60 CA GLY A 7 -6.395 -6.019 2.066 1.00 0.00 C ATOM 61 C GLY A 7 -6.086 -4.739 2.818 1.00 0.00 C ATOM 62 O GLY A 7 -6.991 -3.978 3.160 1.00 0.00 O ATOM 0 H GLY A 7 -7.548 -6.906 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.524 -6.312 1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.206 -5.836 1.361 1.00 0.00 H new ATOM 66 N SER A 8 -4.804 -4.502 3.077 1.00 0.00 N ATOM 67 CA SER A 8 -4.378 -3.309 3.798 1.00 0.00 C ATOM 68 C SER A 8 -4.389 -2.088 2.883 1.00 0.00 C ATOM 69 O SER A 8 -4.947 -1.045 3.226 1.00 0.00 O ATOM 70 CB SER A 8 -2.977 -3.511 4.379 1.00 0.00 C ATOM 71 OG SER A 8 -2.932 -4.655 5.215 1.00 0.00 O ATOM 0 H SER A 8 -4.042 -5.121 2.798 1.00 0.00 H new ATOM 0 HA SER A 8 -5.081 -3.138 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.256 -3.620 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.685 -2.629 4.949 1.00 0.00 H new ATOM 0 HG SER A 8 -2.026 -4.763 5.573 1.00 0.00 H new ATOM 77 N LYS A 9 -3.770 -2.226 1.716 1.00 0.00 N ATOM 78 CA LYS A 9 -3.709 -1.136 0.749 1.00 0.00 C ATOM 79 C LYS A 9 -3.291 0.167 1.423 1.00 0.00 C ATOM 80 O LYS A 9 -3.650 1.254 0.970 1.00 0.00 O ATOM 81 CB LYS A 9 -5.066 -0.957 0.065 1.00 0.00 C ATOM 82 CG LYS A 9 -5.397 -2.059 -0.927 1.00 0.00 C ATOM 83 CD LYS A 9 -6.448 -1.610 -1.928 1.00 0.00 C ATOM 84 CE LYS A 9 -6.995 -2.784 -2.726 1.00 0.00 C ATOM 85 NZ LYS A 9 -8.097 -2.370 -3.638 1.00 0.00 N ATOM 0 H LYS A 9 -3.303 -3.082 1.416 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.962 -1.392 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.845 -0.919 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.079 0.002 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.492 -2.357 -1.457 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.756 -2.937 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.264 -1.114 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.015 -0.877 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.191 -3.233 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.359 -3.550 -2.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.442 -3.198 -4.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.876 -1.965 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.744 -1.657 -4.308 1.00 0.00 H new ATOM 99 N VAL A 10 -2.530 0.050 2.506 1.00 0.00 N ATOM 100 CA VAL A 10 -2.061 1.219 3.240 1.00 0.00 C ATOM 101 C VAL A 10 -0.539 1.239 3.329 1.00 0.00 C ATOM 102 O VAL A 10 0.056 2.236 3.738 1.00 0.00 O ATOM 103 CB VAL A 10 -2.648 1.260 4.664 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.143 0.083 5.484 1.00 0.00 C ATOM 105 CG2 VAL A 10 -2.308 2.578 5.342 1.00 0.00 C ATOM 0 H VAL A 10 -2.225 -0.842 2.895 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.401 2.096 2.689 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.733 1.183 4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.568 0.129 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.443 -0.849 5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.056 0.125 5.549 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.730 2.590 6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.225 2.687 5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.724 3.403 4.764 1.00 0.00 H new ATOM 115 N TRP A 11 0.084 0.131 2.945 1.00 0.00 N ATOM 116 CA TRP A 11 1.538 0.021 2.981 1.00 0.00 C ATOM 117 C TRP A 11 2.168 0.741 1.793 1.00 0.00 C ATOM 118 O TRP A 11 3.183 1.423 1.935 1.00 0.00 O ATOM 119 CB TRP A 11 1.959 -1.450 2.983 1.00 0.00 C ATOM 120 CG TRP A 11 1.709 -2.137 4.291 1.00 0.00 C ATOM 121 CD1 TRP A 11 0.635 -2.916 4.615 1.00 0.00 C ATOM 122 CD2 TRP A 11 2.548 -2.105 5.451 1.00 0.00 C ATOM 123 NE1 TRP A 11 0.757 -3.370 5.907 1.00 0.00 N ATOM 124 CE2 TRP A 11 1.922 -2.887 6.440 1.00 0.00 C ATOM 125 CE3 TRP A 11 3.769 -1.493 5.748 1.00 0.00 C ATOM 126 CZ2 TRP A 11 2.476 -3.071 7.704 1.00 0.00 C ATOM 127 CZ3 TRP A 11 4.317 -1.676 7.003 1.00 0.00 C ATOM 128 CH2 TRP A 11 3.672 -2.460 7.969 1.00 0.00 C ATOM 0 H TRP A 11 -0.394 -0.703 2.605 1.00 0.00 H new ATOM 0 HA TRP A 11 1.891 0.494 3.898 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.419 -1.976 2.195 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.020 -1.517 2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.189 -3.142 3.954 1.00 0.00 H new ATOM 0 HE1 TRP A 11 0.088 -3.970 6.390 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.275 -0.888 5.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.980 -3.675 8.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 5.259 -1.206 7.244 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.127 -2.584 8.941 1.00 0.00 H new ATOM 139 N LYS A 12 1.561 0.584 0.622 1.00 0.00 N ATOM 140 CA LYS A 12 2.061 1.221 -0.591 1.00 0.00 C ATOM 141 C LYS A 12 2.516 2.649 -0.308 1.00 0.00 C ATOM 142 O LYS A 12 3.547 3.094 -0.814 1.00 0.00 O ATOM 143 CB LYS A 12 0.979 1.224 -1.673 1.00 0.00 C ATOM 144 CG LYS A 12 0.609 -0.164 -2.167 1.00 0.00 C ATOM 145 CD LYS A 12 0.132 -0.134 -3.609 1.00 0.00 C ATOM 146 CE LYS A 12 -0.075 -1.538 -4.157 1.00 0.00 C ATOM 147 NZ LYS A 12 -0.841 -1.527 -5.435 1.00 0.00 N ATOM 0 H LYS A 12 0.721 0.021 0.487 1.00 0.00 H new ATOM 0 HA LYS A 12 2.919 0.649 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.086 1.711 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.323 1.821 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.473 -0.824 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.173 -0.580 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.802 0.424 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.861 0.394 -4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.893 -2.012 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.606 -2.141 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.961 -2.502 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.775 -1.098 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.322 -0.973 -6.146 1.00 0.00 H new ATOM 161 N TYR A 13 1.743 3.361 0.504 1.00 0.00 N ATOM 162 CA TYR A 13 2.066 4.739 0.853 1.00 0.00 C ATOM 163 C TYR A 13 3.250 4.794 1.814 1.00 0.00 C ATOM 164 O TYR A 13 4.194 5.558 1.612 1.00 0.00 O ATOM 165 CB TYR A 13 0.853 5.427 1.480 1.00 0.00 C ATOM 166 CG TYR A 13 -0.369 5.430 0.590 1.00 0.00 C ATOM 167 CD1 TYR A 13 -1.262 4.365 0.598 1.00 0.00 C ATOM 168 CD2 TYR A 13 -0.632 6.498 -0.259 1.00 0.00 C ATOM 169 CE1 TYR A 13 -2.379 4.363 -0.215 1.00 0.00 C ATOM 170 CE2 TYR A 13 -1.747 6.506 -1.074 1.00 0.00 C ATOM 171 CZ TYR A 13 -2.617 5.436 -1.049 1.00 0.00 C ATOM 172 OH TYR A 13 -3.730 5.438 -1.859 1.00 0.00 O ATOM 0 H TYR A 13 0.888 3.007 0.933 1.00 0.00 H new ATOM 0 HA TYR A 13 2.339 5.264 -0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.608 4.929 2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.116 6.456 1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.080 3.524 1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.048 7.337 -0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.062 3.526 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.937 7.345 -1.727 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.752 6.266 -2.383 1.00 0.00 H new ATOM 182 N PHE A 14 3.191 3.978 2.861 1.00 0.00 N ATOM 183 CA PHE A 14 4.257 3.932 3.856 1.00 0.00 C ATOM 184 C PHE A 14 5.093 2.666 3.699 1.00 0.00 C ATOM 185 O PHE A 14 4.644 1.568 4.025 1.00 0.00 O ATOM 186 CB PHE A 14 3.669 3.998 5.267 1.00 0.00 C ATOM 187 CG PHE A 14 2.703 5.131 5.462 1.00 0.00 C ATOM 188 CD1 PHE A 14 1.463 5.116 4.843 1.00 0.00 C ATOM 189 CD2 PHE A 14 3.033 6.211 6.264 1.00 0.00 C ATOM 190 CE1 PHE A 14 0.571 6.157 5.020 1.00 0.00 C ATOM 191 CE2 PHE A 14 2.145 7.254 6.446 1.00 0.00 C ATOM 192 CZ PHE A 14 0.913 7.228 5.822 1.00 0.00 C ATOM 0 H PHE A 14 2.417 3.340 3.043 1.00 0.00 H new ATOM 0 HA PHE A 14 4.904 4.795 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.162 3.058 5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.482 4.096 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.190 4.281 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.996 6.238 6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.392 6.133 4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.414 8.089 7.076 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.219 8.043 5.961 1.00 0.00 H new ATOM 202 N GLY A 15 6.313 2.828 3.196 1.00 0.00 N ATOM 203 CA GLY A 15 7.193 1.690 3.004 1.00 0.00 C ATOM 204 C GLY A 15 7.907 1.287 4.279 1.00 0.00 C ATOM 205 O GLY A 15 7.806 1.970 5.298 1.00 0.00 O ATOM 0 H GLY A 15 6.708 3.727 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.613 0.845 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.931 1.930 2.239 1.00 0.00 H new ATOM 209 N PHE A 16 8.631 0.174 4.223 1.00 0.00 N ATOM 210 CA PHE A 16 9.362 -0.321 5.384 1.00 0.00 C ATOM 211 C PHE A 16 10.774 -0.750 4.994 1.00 0.00 C ATOM 212 O PHE A 16 11.086 -0.897 3.813 1.00 0.00 O ATOM 213 CB PHE A 16 8.617 -1.496 6.020 1.00 0.00 C ATOM 214 CG PHE A 16 8.082 -2.479 5.018 1.00 0.00 C ATOM 215 CD1 PHE A 16 8.944 -3.256 4.261 1.00 0.00 C ATOM 216 CD2 PHE A 16 6.717 -2.627 4.834 1.00 0.00 C ATOM 217 CE1 PHE A 16 8.455 -4.161 3.338 1.00 0.00 C ATOM 218 CE2 PHE A 16 6.221 -3.531 3.913 1.00 0.00 C ATOM 219 CZ PHE A 16 7.091 -4.299 3.165 1.00 0.00 C ATOM 0 H PHE A 16 8.727 -0.402 3.387 1.00 0.00 H new ATOM 0 HA PHE A 16 9.434 0.489 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.289 -2.015 6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.790 -1.111 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.011 -3.153 4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.032 -2.029 5.417 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.138 -4.759 2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.155 -3.636 3.779 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.706 -5.007 2.446 1.00 0.00 H new ATOM 229 N ASP A 17 11.623 -0.947 5.997 1.00 0.00 N ATOM 230 CA ASP A 17 13.002 -1.359 5.761 1.00 0.00 C ATOM 231 C ASP A 17 13.253 -2.759 6.313 1.00 0.00 C ATOM 232 O ASP A 17 13.416 -2.943 7.519 1.00 0.00 O ATOM 233 CB ASP A 17 13.971 -0.364 6.401 1.00 0.00 C ATOM 234 CG ASP A 17 15.339 -0.385 5.747 1.00 0.00 C ATOM 235 OD1 ASP A 17 15.798 -1.482 5.369 1.00 0.00 O ATOM 236 OD2 ASP A 17 15.950 0.696 5.614 1.00 0.00 O ATOM 0 H ASP A 17 11.381 -0.828 6.981 1.00 0.00 H new ATOM 0 HA ASP A 17 13.170 -1.377 4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.554 0.641 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.075 -0.594 7.461 1.00 0.00 H new ATOM 241 N THR A 18 13.282 -3.745 5.421 1.00 0.00 N ATOM 242 CA THR A 18 13.510 -5.128 5.819 1.00 0.00 C ATOM 243 C THR A 18 14.800 -5.669 5.212 1.00 0.00 C ATOM 244 O THR A 18 15.011 -5.584 4.003 1.00 0.00 O ATOM 245 CB THR A 18 12.339 -6.035 5.397 1.00 0.00 C ATOM 246 OG1 THR A 18 12.061 -5.859 4.003 1.00 0.00 O ATOM 247 CG2 THR A 18 11.092 -5.722 6.211 1.00 0.00 C ATOM 0 H THR A 18 13.150 -3.611 4.418 1.00 0.00 H new ATOM 0 HA THR A 18 13.591 -5.134 6.906 1.00 0.00 H new ATOM 0 HB THR A 18 12.625 -7.070 5.582 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.896 -5.677 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.278 -6.375 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.298 -5.884 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.805 -4.682 6.052 1.00 0.00 H new ATOM 255 N ASN A 19 15.660 -6.225 6.060 1.00 0.00 N ATOM 256 CA ASN A 19 16.930 -6.780 5.606 1.00 0.00 C ATOM 257 C ASN A 19 16.723 -7.706 4.411 1.00 0.00 C ATOM 258 O ASN A 19 17.304 -7.501 3.346 1.00 0.00 O ATOM 259 CB ASN A 19 17.613 -7.541 6.744 1.00 0.00 C ATOM 260 CG ASN A 19 18.105 -6.619 7.842 1.00 0.00 C ATOM 261 OD1 ASN A 19 17.871 -5.411 7.806 1.00 0.00 O ATOM 262 ND2 ASN A 19 18.793 -7.187 8.827 1.00 0.00 N ATOM 0 H ASN A 19 15.500 -6.303 7.064 1.00 0.00 H new ATOM 0 HA ASN A 19 17.569 -5.954 5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.914 -8.263 7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.454 -8.108 6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.151 -6.617 9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.963 -8.193 8.816 1.00 0.00 H new ATOM 269 N ALA A 20 15.891 -8.725 4.597 1.00 0.00 N ATOM 270 CA ALA A 20 15.605 -9.681 3.535 1.00 0.00 C ATOM 271 C ALA A 20 14.197 -9.484 2.983 1.00 0.00 C ATOM 272 O ALA A 20 13.388 -8.764 3.566 1.00 0.00 O ATOM 273 CB ALA A 20 15.780 -11.104 4.044 1.00 0.00 C ATOM 0 H ALA A 20 15.403 -8.910 5.473 1.00 0.00 H new ATOM 0 HA ALA A 20 16.312 -9.507 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 20 15.563 -11.807 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 20 16.806 -11.246 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.096 -11.280 4.874 1.00 0.00 H new ATOM 279 N GLU A 21 13.913 -10.129 1.855 1.00 0.00 N ATOM 280 CA GLU A 21 12.602 -10.022 1.225 1.00 0.00 C ATOM 281 C GLU A 21 11.506 -10.529 2.159 1.00 0.00 C ATOM 282 O GLU A 21 10.415 -9.963 2.217 1.00 0.00 O ATOM 283 CB GLU A 21 12.576 -10.811 -0.086 1.00 0.00 C ATOM 284 CG GLU A 21 12.711 -12.313 0.105 1.00 0.00 C ATOM 285 CD GLU A 21 12.667 -13.074 -1.205 1.00 0.00 C ATOM 286 OE1 GLU A 21 13.199 -12.557 -2.210 1.00 0.00 O ATOM 287 OE2 GLU A 21 12.100 -14.186 -1.226 1.00 0.00 O ATOM 0 H GLU A 21 14.572 -10.730 1.360 1.00 0.00 H new ATOM 0 HA GLU A 21 12.415 -8.970 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.642 -10.602 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.385 -10.461 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.651 -12.528 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.909 -12.667 0.753 1.00 0.00 H new ATOM 294 N GLY A 22 11.806 -11.599 2.887 1.00 0.00 N ATOM 295 CA GLY A 22 10.838 -12.165 3.808 1.00 0.00 C ATOM 296 C GLY A 22 11.007 -11.644 5.221 1.00 0.00 C ATOM 297 O GLY A 22 10.342 -10.687 5.620 1.00 0.00 O ATOM 0 H GLY A 22 12.702 -12.085 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.831 -11.936 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.935 -13.251 3.811 1.00 0.00 H new ATOM 301 N CYS A 23 11.897 -12.274 5.980 1.00 0.00 N ATOM 302 CA CYS A 23 12.150 -11.869 7.358 1.00 0.00 C ATOM 303 C CYS A 23 12.077 -10.352 7.501 1.00 0.00 C ATOM 304 O CYS A 23 12.330 -9.616 6.547 1.00 0.00 O ATOM 305 CB CYS A 23 13.520 -12.372 7.816 1.00 0.00 C ATOM 306 SG CYS A 23 13.763 -12.322 9.607 1.00 0.00 S ATOM 0 H CYS A 23 12.455 -13.067 5.664 1.00 0.00 H new ATOM 0 HA CYS A 23 11.379 -12.312 7.989 1.00 0.00 H new ATOM 0 HB2 CYS A 23 13.653 -13.397 7.470 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.294 -11.772 7.338 1.00 0.00 H new ATOM 0 HG CYS A 23 14.949 -12.769 9.897 1.00 0.00 H new ATOM 312 N ILE A 24 11.728 -9.893 8.698 1.00 0.00 N ATOM 313 CA ILE A 24 11.621 -8.464 8.965 1.00 0.00 C ATOM 314 C ILE A 24 12.610 -8.031 10.042 1.00 0.00 C ATOM 315 O ILE A 24 12.764 -8.700 11.065 1.00 0.00 O ATOM 316 CB ILE A 24 10.197 -8.078 9.407 1.00 0.00 C ATOM 317 CG1 ILE A 24 9.188 -8.426 8.311 1.00 0.00 C ATOM 318 CG2 ILE A 24 10.130 -6.597 9.745 1.00 0.00 C ATOM 319 CD1 ILE A 24 7.765 -8.536 8.813 1.00 0.00 C ATOM 0 H ILE A 24 11.515 -10.489 9.498 1.00 0.00 H new ATOM 0 HA ILE A 24 11.854 -7.951 8.032 1.00 0.00 H new ATOM 0 HB ILE A 24 9.944 -8.646 10.302 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.232 -7.664 7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.476 -9.371 7.850 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.117 -6.340 10.056 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.825 -6.377 10.555 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.400 -6.011 8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.104 -8.785 7.982 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.706 -9.318 9.570 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.458 -7.585 9.248 1.00 0.00 H new ATOM 331 N LEU A 25 13.278 -6.906 9.807 1.00 0.00 N ATOM 332 CA LEU A 25 14.251 -6.381 10.758 1.00 0.00 C ATOM 333 C LEU A 25 13.730 -6.491 12.188 1.00 0.00 C ATOM 334 O LEU A 25 12.536 -6.328 12.437 1.00 0.00 O ATOM 335 CB LEU A 25 14.576 -4.922 10.433 1.00 0.00 C ATOM 336 CG LEU A 25 15.854 -4.363 11.059 1.00 0.00 C ATOM 337 CD1 LEU A 25 17.072 -5.123 10.557 1.00 0.00 C ATOM 338 CD2 LEU A 25 15.989 -2.878 10.759 1.00 0.00 C ATOM 0 H LEU A 25 13.163 -6.340 8.966 1.00 0.00 H new ATOM 0 HA LEU A 25 15.160 -6.977 10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.651 -4.820 9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.738 -4.304 10.754 1.00 0.00 H new ATOM 0 HG LEU A 25 15.792 -4.491 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.972 -4.711 11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.979 -6.176 10.824 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.139 -5.028 9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.904 -2.497 11.212 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.028 -2.727 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.132 -2.345 11.169 1.00 0.00 H new ATOM 350 N GLN A 26 14.635 -6.767 13.122 1.00 0.00 N ATOM 351 CA GLN A 26 14.266 -6.897 14.526 1.00 0.00 C ATOM 352 C GLN A 26 13.274 -5.812 14.932 1.00 0.00 C ATOM 353 O GLN A 26 12.146 -6.105 15.327 1.00 0.00 O ATOM 354 CB GLN A 26 15.511 -6.823 15.412 1.00 0.00 C ATOM 355 CG GLN A 26 16.446 -8.010 15.248 1.00 0.00 C ATOM 356 CD GLN A 26 17.481 -7.793 14.162 1.00 0.00 C ATOM 357 OE1 GLN A 26 17.322 -6.928 13.301 1.00 0.00 O ATOM 358 NE2 GLN A 26 18.551 -8.579 14.198 1.00 0.00 N ATOM 0 H GLN A 26 15.628 -6.905 12.932 1.00 0.00 H new ATOM 0 HA GLN A 26 13.790 -7.868 14.661 1.00 0.00 H new ATOM 0 HB2 GLN A 26 16.056 -5.907 15.183 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.201 -6.757 16.455 1.00 0.00 H new ATOM 0 HG2 GLN A 26 16.952 -8.202 16.194 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.860 -8.899 15.014 1.00 0.00 H new ATOM 0 HE21 GLN A 26 18.642 -9.283 14.930 1.00 0.00 H new ATOM 0 HE22 GLN A 26 19.282 -8.478 13.494 1.00 0.00 H new ATOM 367 N TRP A 27 13.703 -4.559 14.831 1.00 0.00 N ATOM 368 CA TRP A 27 12.852 -3.429 15.188 1.00 0.00 C ATOM 369 C TRP A 27 11.917 -3.067 14.039 1.00 0.00 C ATOM 370 O TRP A 27 12.350 -2.534 13.017 1.00 0.00 O ATOM 371 CB TRP A 27 13.707 -2.219 15.566 1.00 0.00 C ATOM 372 CG TRP A 27 14.361 -2.350 16.909 1.00 0.00 C ATOM 373 CD1 TRP A 27 13.764 -2.729 18.077 1.00 0.00 C ATOM 374 CD2 TRP A 27 15.735 -2.099 17.221 1.00 0.00 C ATOM 375 NE1 TRP A 27 14.685 -2.730 19.097 1.00 0.00 N ATOM 376 CE2 TRP A 27 15.902 -2.348 18.597 1.00 0.00 C ATOM 377 CE3 TRP A 27 16.842 -1.691 16.471 1.00 0.00 C ATOM 378 CZ2 TRP A 27 17.130 -2.200 19.237 1.00 0.00 C ATOM 379 CZ3 TRP A 27 18.060 -1.545 17.107 1.00 0.00 C ATOM 380 CH2 TRP A 27 18.197 -1.799 18.478 1.00 0.00 C ATOM 0 H TRP A 27 14.634 -4.300 14.505 1.00 0.00 H new ATOM 0 HA TRP A 27 12.247 -3.720 16.047 1.00 0.00 H new ATOM 0 HB2 TRP A 27 14.477 -2.076 14.807 1.00 0.00 H new ATOM 0 HB3 TRP A 27 13.083 -1.326 15.559 1.00 0.00 H new ATOM 0 HD1 TRP A 27 12.721 -2.990 18.184 1.00 0.00 H new ATOM 0 HE1 TRP A 27 14.494 -2.975 20.068 1.00 0.00 H new ATOM 0 HE3 TRP A 27 16.747 -1.493 15.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 17.237 -2.394 20.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 18.922 -1.230 16.537 1.00 0.00 H new ATOM 0 HH2 TRP A 27 19.163 -1.676 18.945 1.00 0.00 H new ATOM 391 N LYS A 28 10.633 -3.360 14.212 1.00 0.00 N ATOM 392 CA LYS A 28 9.636 -3.064 13.190 1.00 0.00 C ATOM 393 C LYS A 28 9.172 -1.614 13.286 1.00 0.00 C ATOM 394 O LYS A 28 8.510 -1.226 14.249 1.00 0.00 O ATOM 395 CB LYS A 28 8.437 -4.005 13.331 1.00 0.00 C ATOM 396 CG LYS A 28 7.585 -4.096 12.077 1.00 0.00 C ATOM 397 CD LYS A 28 6.503 -3.029 12.058 1.00 0.00 C ATOM 398 CE LYS A 28 5.357 -3.413 11.136 1.00 0.00 C ATOM 399 NZ LYS A 28 4.501 -4.478 11.728 1.00 0.00 N ATOM 0 H LYS A 28 10.258 -3.803 15.051 1.00 0.00 H new ATOM 0 HA LYS A 28 10.096 -3.215 12.214 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.796 -5.001 13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.815 -3.666 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.219 -3.988 11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.125 -5.083 12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.123 -2.877 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.931 -2.081 11.732 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.749 -2.533 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.758 -3.757 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.228 -5.155 10.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.030 -4.974 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.647 -4.049 12.137 1.00 0.00 H new ATOM 413 N LYS A 29 9.521 -0.818 12.281 1.00 0.00 N ATOM 414 CA LYS A 29 9.139 0.588 12.250 1.00 0.00 C ATOM 415 C LYS A 29 8.719 1.007 10.844 1.00 0.00 C ATOM 416 O LYS A 29 9.283 0.541 9.854 1.00 0.00 O ATOM 417 CB LYS A 29 10.299 1.464 12.730 1.00 0.00 C ATOM 418 CG LYS A 29 9.944 2.937 12.838 1.00 0.00 C ATOM 419 CD LYS A 29 10.787 3.637 13.891 1.00 0.00 C ATOM 420 CE LYS A 29 10.035 4.797 14.525 1.00 0.00 C ATOM 421 NZ LYS A 29 10.819 5.434 15.619 1.00 0.00 N ATOM 0 H LYS A 29 10.068 -1.124 11.476 1.00 0.00 H new ATOM 0 HA LYS A 29 8.289 0.723 12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.634 1.107 13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.138 1.350 12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.092 3.420 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.888 3.041 13.088 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.074 2.923 14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.708 4.003 13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.805 5.541 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.084 4.441 14.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.266 6.209 16.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.032 4.727 16.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.708 5.812 15.234 1.00 0.00 H new ATOM 435 N ILE A 30 7.729 1.889 10.766 1.00 0.00 N ATOM 436 CA ILE A 30 7.236 2.371 9.481 1.00 0.00 C ATOM 437 C ILE A 30 7.530 3.857 9.303 1.00 0.00 C ATOM 438 O ILE A 30 7.738 4.581 10.278 1.00 0.00 O ATOM 439 CB ILE A 30 5.721 2.138 9.336 1.00 0.00 C ATOM 440 CG1 ILE A 30 5.378 0.675 9.625 1.00 0.00 C ATOM 441 CG2 ILE A 30 5.257 2.530 7.941 1.00 0.00 C ATOM 442 CD1 ILE A 30 3.896 0.424 9.792 1.00 0.00 C ATOM 0 H ILE A 30 7.252 2.285 11.576 1.00 0.00 H new ATOM 0 HA ILE A 30 7.757 1.804 8.710 1.00 0.00 H new ATOM 0 HB ILE A 30 5.201 2.764 10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.754 0.054 8.812 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.896 0.361 10.531 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.184 2.360 7.853 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.472 3.585 7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.782 1.927 7.200 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.727 -0.634 9.994 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.518 1.018 10.624 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.374 0.707 8.878 1.00 0.00 H new ATOM 454 N TYR A 31 7.544 4.306 8.053 1.00 0.00 N ATOM 455 CA TYR A 31 7.812 5.706 7.747 1.00 0.00 C ATOM 456 C TYR A 31 7.089 6.133 6.473 1.00 0.00 C ATOM 457 O TYR A 31 6.946 5.350 5.533 1.00 0.00 O ATOM 458 CB TYR A 31 9.317 5.937 7.595 1.00 0.00 C ATOM 459 CG TYR A 31 9.844 5.606 6.217 1.00 0.00 C ATOM 460 CD1 TYR A 31 9.812 6.547 5.195 1.00 0.00 C ATOM 461 CD2 TYR A 31 10.373 4.352 5.936 1.00 0.00 C ATOM 462 CE1 TYR A 31 10.292 6.248 3.934 1.00 0.00 C ATOM 463 CE2 TYR A 31 10.856 4.045 4.679 1.00 0.00 C ATOM 464 CZ TYR A 31 10.814 4.997 3.682 1.00 0.00 C ATOM 465 OH TYR A 31 11.293 4.695 2.427 1.00 0.00 O ATOM 0 H TYR A 31 7.373 3.721 7.235 1.00 0.00 H new ATOM 0 HA TYR A 31 7.440 6.311 8.574 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.541 6.980 7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.845 5.332 8.332 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.405 7.528 5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.407 3.604 6.714 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.258 6.990 3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.264 3.065 4.478 1.00 0.00 H new ATOM 0 HH TYR A 31 11.627 3.774 2.417 1.00 0.00 H new ATOM 475 N CYS A 32 6.636 7.382 6.448 1.00 0.00 N ATOM 476 CA CYS A 32 5.928 7.916 5.291 1.00 0.00 C ATOM 477 C CYS A 32 6.906 8.504 4.279 1.00 0.00 C ATOM 478 O CYS A 32 7.442 9.595 4.478 1.00 0.00 O ATOM 479 CB CYS A 32 4.926 8.986 5.730 1.00 0.00 C ATOM 480 SG CYS A 32 3.809 9.547 4.404 1.00 0.00 S ATOM 0 H CYS A 32 6.747 8.043 7.216 1.00 0.00 H new ATOM 0 HA CYS A 32 5.389 7.096 4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.328 8.593 6.552 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.474 9.845 6.117 1.00 0.00 H new ATOM 485 N ARG A 33 7.134 7.774 3.192 1.00 0.00 N ATOM 486 CA ARG A 33 8.049 8.222 2.148 1.00 0.00 C ATOM 487 C ARG A 33 7.521 9.482 1.468 1.00 0.00 C ATOM 488 O ARG A 33 8.296 10.343 1.049 1.00 0.00 O ATOM 489 CB ARG A 33 8.253 7.117 1.111 1.00 0.00 C ATOM 490 CG ARG A 33 6.985 6.742 0.362 1.00 0.00 C ATOM 491 CD ARG A 33 7.255 5.688 -0.700 1.00 0.00 C ATOM 492 NE ARG A 33 7.822 6.268 -1.915 1.00 0.00 N ATOM 493 CZ ARG A 33 8.476 5.562 -2.831 1.00 0.00 C ATOM 494 NH1 ARG A 33 8.645 4.257 -2.670 1.00 0.00 N ATOM 495 NH2 ARG A 33 8.962 6.162 -3.910 1.00 0.00 N ATOM 0 H ARG A 33 6.698 6.870 3.011 1.00 0.00 H new ATOM 0 HA ARG A 33 9.007 8.455 2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.007 7.439 0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.646 6.231 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.242 6.368 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.561 7.631 -0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.940 4.939 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.326 5.173 -0.944 1.00 0.00 H new ATOM 0 HE ARG A 33 7.710 7.270 -2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.273 3.793 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.147 3.717 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.834 7.166 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.464 5.619 -4.613 1.00 0.00 H new ATOM 509 N ILE A 34 6.201 9.583 1.362 1.00 0.00 N ATOM 510 CA ILE A 34 5.571 10.737 0.733 1.00 0.00 C ATOM 511 C ILE A 34 6.108 12.041 1.314 1.00 0.00 C ATOM 512 O ILE A 34 6.592 12.906 0.584 1.00 0.00 O ATOM 513 CB ILE A 34 4.040 10.705 0.902 1.00 0.00 C ATOM 514 CG1 ILE A 34 3.464 9.431 0.282 1.00 0.00 C ATOM 515 CG2 ILE A 34 3.412 11.939 0.272 1.00 0.00 C ATOM 516 CD1 ILE A 34 2.021 9.176 0.658 1.00 0.00 C ATOM 0 H ILE A 34 5.546 8.879 1.704 1.00 0.00 H new ATOM 0 HA ILE A 34 5.812 10.688 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 34 3.806 10.706 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.542 9.497 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.068 8.579 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.330 11.902 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.804 12.834 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.651 11.967 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.678 8.257 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.939 9.078 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.405 10.010 0.322 1.00 0.00 H new ATOM 528 N CYS A 35 6.022 12.174 2.633 1.00 0.00 N ATOM 529 CA CYS A 35 6.500 13.371 3.314 1.00 0.00 C ATOM 530 C CYS A 35 7.742 13.064 4.146 1.00 0.00 C ATOM 531 O CYS A 35 8.033 13.753 5.123 1.00 0.00 O ATOM 532 CB CYS A 35 5.402 13.946 4.211 1.00 0.00 C ATOM 533 SG CYS A 35 4.986 12.898 5.642 1.00 0.00 S ATOM 0 H CYS A 35 5.625 11.467 3.252 1.00 0.00 H new ATOM 0 HA CYS A 35 6.764 14.108 2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.717 14.925 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.503 14.100 3.614 1.00 0.00 H new ATOM 538 N MET A 36 8.471 12.025 3.750 1.00 0.00 N ATOM 539 CA MET A 36 9.682 11.628 4.457 1.00 0.00 C ATOM 540 C MET A 36 9.490 11.734 5.967 1.00 0.00 C ATOM 541 O MET A 36 10.376 12.198 6.684 1.00 0.00 O ATOM 542 CB MET A 36 10.863 12.497 4.020 1.00 0.00 C ATOM 543 CG MET A 36 11.240 12.318 2.558 1.00 0.00 C ATOM 544 SD MET A 36 12.997 12.590 2.256 1.00 0.00 S ATOM 545 CE MET A 36 13.623 10.915 2.369 1.00 0.00 C ATOM 0 H MET A 36 8.244 11.443 2.943 1.00 0.00 H new ATOM 0 HA MET A 36 9.893 10.588 4.207 1.00 0.00 H new ATOM 0 HB2 MET A 36 10.619 13.544 4.198 1.00 0.00 H new ATOM 0 HB3 MET A 36 11.727 12.261 4.641 1.00 0.00 H new ATOM 0 HG2 MET A 36 10.972 11.311 2.238 1.00 0.00 H new ATOM 0 HG3 MET A 36 10.659 13.011 1.949 1.00 0.00 H new ATOM 0 HE1 MET A 36 14.700 10.917 2.204 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.408 10.512 3.359 1.00 0.00 H new ATOM 0 HE3 MET A 36 13.142 10.295 1.613 1.00 0.00 H new ATOM 555 N ALA A 37 8.327 11.301 6.443 1.00 0.00 N ATOM 556 CA ALA A 37 8.020 11.346 7.867 1.00 0.00 C ATOM 557 C ALA A 37 8.213 9.979 8.514 1.00 0.00 C ATOM 558 O ALA A 37 8.455 8.987 7.827 1.00 0.00 O ATOM 559 CB ALA A 37 6.597 11.839 8.085 1.00 0.00 C ATOM 0 H ALA A 37 7.582 10.915 5.863 1.00 0.00 H new ATOM 0 HA ALA A 37 8.711 12.044 8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.381 11.868 9.153 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.491 12.840 7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.898 11.163 7.592 1.00 0.00 H new ATOM 565 N GLN A 38 8.105 9.935 9.838 1.00 0.00 N ATOM 566 CA GLN A 38 8.270 8.689 10.577 1.00 0.00 C ATOM 567 C GLN A 38 7.019 8.367 11.386 1.00 0.00 C ATOM 568 O GLN A 38 6.651 9.106 12.299 1.00 0.00 O ATOM 569 CB GLN A 38 9.483 8.778 11.504 1.00 0.00 C ATOM 570 CG GLN A 38 9.583 7.623 12.488 1.00 0.00 C ATOM 571 CD GLN A 38 10.895 7.614 13.246 1.00 0.00 C ATOM 572 OE1 GLN A 38 11.953 7.343 12.677 1.00 0.00 O ATOM 573 NE2 GLN A 38 10.834 7.912 14.539 1.00 0.00 N ATOM 0 H GLN A 38 7.904 10.748 10.421 1.00 0.00 H new ATOM 0 HA GLN A 38 8.431 7.887 9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.390 8.809 10.900 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.437 9.715 12.059 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.758 7.683 13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.472 6.682 11.950 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.936 8.130 14.970 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.685 7.922 15.101 1.00 0.00 H new ATOM 582 N ILE A 39 6.369 7.259 11.046 1.00 0.00 N ATOM 583 CA ILE A 39 5.159 6.839 11.742 1.00 0.00 C ATOM 584 C ILE A 39 5.325 5.446 12.341 1.00 0.00 C ATOM 585 O ILE A 39 5.478 4.463 11.618 1.00 0.00 O ATOM 586 CB ILE A 39 3.939 6.839 10.802 1.00 0.00 C ATOM 587 CG1 ILE A 39 3.739 8.228 10.191 1.00 0.00 C ATOM 588 CG2 ILE A 39 2.692 6.400 11.553 1.00 0.00 C ATOM 589 CD1 ILE A 39 4.567 8.466 8.948 1.00 0.00 C ATOM 0 H ILE A 39 6.660 6.636 10.293 1.00 0.00 H new ATOM 0 HA ILE A 39 4.990 7.559 12.543 1.00 0.00 H new ATOM 0 HB ILE A 39 4.121 6.130 9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.685 8.360 9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.991 8.983 10.936 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.838 6.405 10.875 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.838 5.393 11.944 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.504 7.086 12.379 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.375 9.470 8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.625 8.366 9.191 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.299 7.734 8.187 1.00 0.00 H new ATOM 601 N ALA A 40 5.291 5.371 13.668 1.00 0.00 N ATOM 602 CA ALA A 40 5.434 4.099 14.364 1.00 0.00 C ATOM 603 C ALA A 40 4.165 3.261 14.243 1.00 0.00 C ATOM 604 O ALA A 40 3.056 3.770 14.407 1.00 0.00 O ATOM 605 CB ALA A 40 5.776 4.334 15.828 1.00 0.00 C ATOM 0 H ALA A 40 5.166 6.176 14.282 1.00 0.00 H new ATOM 0 HA ALA A 40 6.249 3.547 13.896 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.880 3.375 16.336 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.714 4.885 15.899 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.980 4.910 16.300 1.00 0.00 H new ATOM 611 N TYR A 41 4.335 1.976 13.955 1.00 0.00 N ATOM 612 CA TYR A 41 3.203 1.069 13.809 1.00 0.00 C ATOM 613 C TYR A 41 2.504 0.850 15.147 1.00 0.00 C ATOM 614 O TYR A 41 3.145 0.820 16.198 1.00 0.00 O ATOM 615 CB TYR A 41 3.668 -0.272 13.238 1.00 0.00 C ATOM 616 CG TYR A 41 2.546 -1.105 12.660 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.599 -0.539 11.815 1.00 0.00 C ATOM 618 CD2 TYR A 41 2.433 -2.457 12.959 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.573 -1.296 11.284 1.00 0.00 C ATOM 620 CE2 TYR A 41 1.410 -3.222 12.431 1.00 0.00 C ATOM 621 CZ TYR A 41 0.483 -2.637 11.595 1.00 0.00 C ATOM 622 OH TYR A 41 -0.538 -3.395 11.069 1.00 0.00 O ATOM 0 H TYR A 41 5.246 1.539 13.818 1.00 0.00 H new ATOM 0 HA TYR A 41 2.492 1.524 13.119 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.411 -0.089 12.461 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.163 -0.841 14.025 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.666 0.511 11.569 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.157 -2.918 13.615 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.155 -0.841 10.629 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.337 -4.272 12.672 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.456 -4.319 11.386 1.00 0.00 H new ATOM 632 N SER A 42 1.185 0.697 15.100 1.00 0.00 N ATOM 633 CA SER A 42 0.396 0.484 16.308 1.00 0.00 C ATOM 634 C SER A 42 -0.423 -0.799 16.203 1.00 0.00 C ATOM 635 O SER A 42 -0.340 -1.674 17.064 1.00 0.00 O ATOM 636 CB SER A 42 -0.531 1.676 16.554 1.00 0.00 C ATOM 637 OG SER A 42 -1.560 1.730 15.582 1.00 0.00 O ATOM 0 H SER A 42 0.640 0.717 14.238 1.00 0.00 H new ATOM 0 HA SER A 42 1.083 0.388 17.149 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.970 1.600 17.549 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.046 2.601 16.529 1.00 0.00 H new ATOM 0 HG SER A 42 -2.140 2.499 15.762 1.00 0.00 H new ATOM 643 N GLY A 43 -1.214 -0.903 15.140 1.00 0.00 N ATOM 644 CA GLY A 43 -2.037 -2.081 14.940 1.00 0.00 C ATOM 645 C GLY A 43 -3.096 -1.876 13.875 1.00 0.00 C ATOM 646 O GLY A 43 -3.583 -0.763 13.681 1.00 0.00 O ATOM 0 H GLY A 43 -1.300 -0.192 14.413 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.401 -2.921 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.519 -2.347 15.881 1.00 0.00 H new ATOM 650 N ASN A 44 -3.452 -2.952 13.181 1.00 0.00 N ATOM 651 CA ASN A 44 -4.458 -2.883 12.127 1.00 0.00 C ATOM 652 C ASN A 44 -4.322 -1.591 11.328 1.00 0.00 C ATOM 653 O ASN A 44 -5.318 -0.971 10.953 1.00 0.00 O ATOM 654 CB ASN A 44 -5.862 -2.980 12.727 1.00 0.00 C ATOM 655 CG ASN A 44 -6.140 -1.876 13.730 1.00 0.00 C ATOM 656 OD1 ASN A 44 -6.706 -0.839 13.386 1.00 0.00 O ATOM 657 ND2 ASN A 44 -5.740 -2.096 14.977 1.00 0.00 N ATOM 0 H ASN A 44 -3.059 -3.882 13.329 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.299 -3.724 11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.600 -2.934 11.926 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.980 -3.948 13.214 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.898 -1.390 15.696 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.274 -2.971 15.216 1.00 0.00 H new ATOM 664 N THR A 45 -3.081 -1.189 11.070 1.00 0.00 N ATOM 665 CA THR A 45 -2.814 0.030 10.316 1.00 0.00 C ATOM 666 C THR A 45 -3.847 1.106 10.627 1.00 0.00 C ATOM 667 O THR A 45 -4.455 1.677 9.722 1.00 0.00 O ATOM 668 CB THR A 45 -2.809 -0.238 8.799 1.00 0.00 C ATOM 669 OG1 THR A 45 -4.064 -0.798 8.396 1.00 0.00 O ATOM 670 CG2 THR A 45 -1.680 -1.185 8.421 1.00 0.00 C ATOM 0 H THR A 45 -2.245 -1.690 11.372 1.00 0.00 H new ATOM 0 HA THR A 45 -1.827 0.380 10.619 1.00 0.00 H new ATOM 0 HB THR A 45 -2.654 0.711 8.285 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.781 -0.152 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.696 -1.360 7.345 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.724 -0.743 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.809 -2.132 8.944 1.00 0.00 H new ATOM 678 N SER A 46 -4.041 1.380 11.914 1.00 0.00 N ATOM 679 CA SER A 46 -5.004 2.387 12.344 1.00 0.00 C ATOM 680 C SER A 46 -4.439 3.792 12.161 1.00 0.00 C ATOM 681 O SER A 46 -5.088 4.664 11.586 1.00 0.00 O ATOM 682 CB SER A 46 -5.385 2.165 13.809 1.00 0.00 C ATOM 683 OG SER A 46 -6.084 3.283 14.329 1.00 0.00 O ATOM 0 H SER A 46 -3.544 0.919 12.676 1.00 0.00 H new ATOM 0 HA SER A 46 -5.896 2.290 11.725 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.004 1.272 13.896 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.486 1.988 14.399 1.00 0.00 H new ATOM 0 HG SER A 46 -6.318 3.116 15.266 1.00 0.00 H new ATOM 689 N ASN A 47 -3.223 4.003 12.656 1.00 0.00 N ATOM 690 CA ASN A 47 -2.569 5.302 12.548 1.00 0.00 C ATOM 691 C ASN A 47 -2.154 5.585 11.107 1.00 0.00 C ATOM 692 O ASN A 47 -2.344 6.691 10.600 1.00 0.00 O ATOM 693 CB ASN A 47 -1.344 5.357 13.463 1.00 0.00 C ATOM 694 CG ASN A 47 -0.887 6.778 13.732 1.00 0.00 C ATOM 695 OD1 ASN A 47 -1.267 7.385 14.734 1.00 0.00 O ATOM 696 ND2 ASN A 47 -0.066 7.315 12.836 1.00 0.00 N ATOM 0 H ASN A 47 -2.671 3.291 13.135 1.00 0.00 H new ATOM 0 HA ASN A 47 -3.282 6.066 12.859 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -1.578 4.868 14.409 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.528 4.796 13.008 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.276 8.268 12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.223 6.775 12.020 1.00 0.00 H new ATOM 703 N LEU A 48 -1.588 4.577 10.452 1.00 0.00 N ATOM 704 CA LEU A 48 -1.147 4.716 9.068 1.00 0.00 C ATOM 705 C LEU A 48 -2.092 5.620 8.283 1.00 0.00 C ATOM 706 O LEU A 48 -1.700 6.690 7.818 1.00 0.00 O ATOM 707 CB LEU A 48 -1.063 3.343 8.399 1.00 0.00 C ATOM 708 CG LEU A 48 0.263 2.599 8.558 1.00 0.00 C ATOM 709 CD1 LEU A 48 1.382 3.344 7.846 1.00 0.00 C ATOM 710 CD2 LEU A 48 0.597 2.412 10.030 1.00 0.00 C ATOM 0 H LEU A 48 -1.424 3.655 10.857 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.157 5.173 9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.859 2.716 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.262 3.467 7.334 1.00 0.00 H new ATOM 0 HG LEU A 48 0.162 1.614 8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.318 2.800 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.147 3.425 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.483 4.342 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.544 1.881 10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.679 3.387 10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.192 1.835 10.512 1.00 0.00 H new ATOM 722 N SER A 49 -3.339 5.184 8.142 1.00 0.00 N ATOM 723 CA SER A 49 -4.340 5.953 7.413 1.00 0.00 C ATOM 724 C SER A 49 -4.565 7.312 8.068 1.00 0.00 C ATOM 725 O SER A 49 -4.557 8.345 7.399 1.00 0.00 O ATOM 726 CB SER A 49 -5.660 5.181 7.348 1.00 0.00 C ATOM 727 OG SER A 49 -6.160 4.916 8.647 1.00 0.00 O ATOM 0 H SER A 49 -3.681 4.302 8.523 1.00 0.00 H new ATOM 0 HA SER A 49 -3.971 6.114 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.394 5.756 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.510 4.243 6.814 1.00 0.00 H new ATOM 0 HG SER A 49 -7.004 4.423 8.578 1.00 0.00 H new ATOM 733 N TYR A 50 -4.767 7.302 9.381 1.00 0.00 N ATOM 734 CA TYR A 50 -4.996 8.533 10.128 1.00 0.00 C ATOM 735 C TYR A 50 -4.005 9.616 9.712 1.00 0.00 C ATOM 736 O TYR A 50 -4.386 10.761 9.467 1.00 0.00 O ATOM 737 CB TYR A 50 -4.882 8.271 11.631 1.00 0.00 C ATOM 738 CG TYR A 50 -5.751 9.179 12.472 1.00 0.00 C ATOM 739 CD1 TYR A 50 -5.306 10.439 12.854 1.00 0.00 C ATOM 740 CD2 TYR A 50 -7.015 8.777 12.885 1.00 0.00 C ATOM 741 CE1 TYR A 50 -6.096 11.272 13.623 1.00 0.00 C ATOM 742 CE2 TYR A 50 -7.812 9.604 13.652 1.00 0.00 C ATOM 743 CZ TYR A 50 -7.348 10.850 14.019 1.00 0.00 C ATOM 744 OH TYR A 50 -8.139 11.676 14.785 1.00 0.00 O ATOM 0 H TYR A 50 -4.777 6.455 9.950 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.003 8.883 9.902 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.153 7.235 11.832 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.842 8.394 11.935 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.326 10.773 12.545 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.381 7.801 12.601 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.735 12.248 13.912 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -8.793 9.277 13.963 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.990 11.229 14.977 1.00 0.00 H new ATOM 754 N HIS A 51 -2.731 9.245 9.635 1.00 0.00 N ATOM 755 CA HIS A 51 -1.684 10.183 9.248 1.00 0.00 C ATOM 756 C HIS A 51 -2.075 10.943 7.984 1.00 0.00 C ATOM 757 O HIS A 51 -2.073 12.174 7.961 1.00 0.00 O ATOM 758 CB HIS A 51 -0.365 9.443 9.024 1.00 0.00 C ATOM 759 CG HIS A 51 0.670 10.264 8.317 1.00 0.00 C ATOM 760 ND1 HIS A 51 1.652 10.970 8.978 1.00 0.00 N ATOM 761 CD2 HIS A 51 0.872 10.487 6.997 1.00 0.00 C ATOM 762 CE1 HIS A 51 2.413 11.593 8.096 1.00 0.00 C ATOM 763 NE2 HIS A 51 1.961 11.316 6.886 1.00 0.00 N ATOM 0 H HIS A 51 -2.399 8.302 9.835 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.557 10.901 10.058 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.032 9.125 9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.558 8.540 8.445 1.00 0.00 H new ATOM 0 HD1 HIS A 51 1.772 11.006 9.990 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.286 10.087 6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.261 12.222 8.325 1.00 0.00 H new ATOM 771 N LEU A 52 -2.410 10.201 6.934 1.00 0.00 N ATOM 772 CA LEU A 52 -2.803 10.805 5.665 1.00 0.00 C ATOM 773 C LEU A 52 -3.968 11.770 5.859 1.00 0.00 C ATOM 774 O LEU A 52 -3.848 12.965 5.591 1.00 0.00 O ATOM 775 CB LEU A 52 -3.187 9.719 4.659 1.00 0.00 C ATOM 776 CG LEU A 52 -2.188 8.573 4.493 1.00 0.00 C ATOM 777 CD1 LEU A 52 -2.876 7.344 3.920 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.029 9.001 3.604 1.00 0.00 C ATOM 0 H LEU A 52 -2.417 9.181 6.936 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.952 11.366 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.146 9.297 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.335 10.189 3.687 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.791 8.317 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.150 6.539 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.671 7.025 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.301 7.586 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.328 8.173 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.409 9.284 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.519 9.852 4.055 1.00 0.00 H new ATOM 790 N GLU A 53 -5.095 11.242 6.328 1.00 0.00 N ATOM 791 CA GLU A 53 -6.281 12.058 6.559 1.00 0.00 C ATOM 792 C GLU A 53 -5.936 13.303 7.372 1.00 0.00 C ATOM 793 O GLU A 53 -6.689 14.276 7.390 1.00 0.00 O ATOM 794 CB GLU A 53 -7.354 11.243 7.285 1.00 0.00 C ATOM 795 CG GLU A 53 -8.723 11.902 7.283 1.00 0.00 C ATOM 796 CD GLU A 53 -8.867 12.952 8.367 1.00 0.00 C ATOM 797 OE1 GLU A 53 -8.839 12.582 9.560 1.00 0.00 O ATOM 798 OE2 GLU A 53 -9.007 14.144 8.023 1.00 0.00 O ATOM 0 H GLU A 53 -5.211 10.254 6.555 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.667 12.374 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.432 10.262 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.040 11.081 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.899 12.362 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.490 11.139 7.418 1.00 0.00 H new ATOM 805 N LYS A 54 -4.791 13.263 8.045 1.00 0.00 N ATOM 806 CA LYS A 54 -4.343 14.386 8.860 1.00 0.00 C ATOM 807 C LYS A 54 -3.506 15.359 8.034 1.00 0.00 C ATOM 808 O LYS A 54 -3.625 16.574 8.182 1.00 0.00 O ATOM 809 CB LYS A 54 -3.528 13.884 10.054 1.00 0.00 C ATOM 810 CG LYS A 54 -4.367 13.608 11.290 1.00 0.00 C ATOM 811 CD LYS A 54 -4.704 14.890 12.033 1.00 0.00 C ATOM 812 CE LYS A 54 -5.714 14.642 13.143 1.00 0.00 C ATOM 813 NZ LYS A 54 -6.348 15.906 13.608 1.00 0.00 N ATOM 0 H LYS A 54 -4.156 12.465 8.042 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.226 14.912 9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.005 12.971 9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.766 14.624 10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.288 13.102 11.000 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.827 12.933 11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.794 15.316 12.456 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.104 15.623 11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.485 13.959 12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.219 14.154 13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.030 15.695 14.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.615 16.548 13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.842 16.359 12.813 1.00 0.00 H new ATOM 827 N ASN A 55 -2.662 14.815 7.164 1.00 0.00 N ATOM 828 CA ASN A 55 -1.807 15.635 6.314 1.00 0.00 C ATOM 829 C ASN A 55 -2.239 15.538 4.853 1.00 0.00 C ATOM 830 O ASN A 55 -2.778 16.491 4.290 1.00 0.00 O ATOM 831 CB ASN A 55 -0.346 15.202 6.455 1.00 0.00 C ATOM 832 CG ASN A 55 -0.210 13.730 6.796 1.00 0.00 C ATOM 833 OD1 ASN A 55 -0.310 12.867 5.924 1.00 0.00 O ATOM 834 ND2 ASN A 55 0.020 13.438 8.071 1.00 0.00 N ATOM 0 H ASN A 55 -2.552 13.810 7.029 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.904 16.672 6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.182 15.407 5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.134 15.798 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.121 12.465 8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.095 14.186 8.760 1.00 0.00 H new ATOM 841 N HIS A 56 -1.998 14.381 4.246 1.00 0.00 N ATOM 842 CA HIS A 56 -2.363 14.159 2.851 1.00 0.00 C ATOM 843 C HIS A 56 -3.857 13.875 2.719 1.00 0.00 C ATOM 844 O HIS A 56 -4.357 12.837 3.152 1.00 0.00 O ATOM 845 CB HIS A 56 -1.558 12.997 2.270 1.00 0.00 C ATOM 846 CG HIS A 56 -0.086 13.100 2.526 1.00 0.00 C ATOM 847 ND1 HIS A 56 0.728 14.006 1.880 1.00 0.00 N ATOM 848 CD2 HIS A 56 0.717 12.406 3.366 1.00 0.00 C ATOM 849 CE1 HIS A 56 1.969 13.863 2.310 1.00 0.00 C ATOM 850 NE2 HIS A 56 1.990 12.899 3.212 1.00 0.00 N ATOM 0 H HIS A 56 -1.552 13.583 4.697 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.133 15.066 2.292 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.927 12.063 2.693 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.729 12.950 1.195 1.00 0.00 H new ATOM 0 HD1 HIS A 56 0.420 14.681 1.180 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.414 11.613 4.033 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.822 14.437 1.980 1.00 0.00 H new ATOM 858 N PRO A 57 -4.587 14.820 2.108 1.00 0.00 N ATOM 859 CA PRO A 57 -6.033 14.694 1.905 1.00 0.00 C ATOM 860 C PRO A 57 -6.384 13.620 0.880 1.00 0.00 C ATOM 861 O PRO A 57 -7.210 12.746 1.141 1.00 0.00 O ATOM 862 CB PRO A 57 -6.441 16.077 1.391 1.00 0.00 C ATOM 863 CG PRO A 57 -5.207 16.628 0.765 1.00 0.00 C ATOM 864 CD PRO A 57 -4.057 16.083 1.567 1.00 0.00 C ATOM 0 HA PRO A 57 -6.548 14.394 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.254 16.007 0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.791 16.714 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.132 16.327 -0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.213 17.718 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.177 15.916 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.761 16.768 2.362 1.00 0.00 H new ATOM 872 N GLU A 58 -5.750 13.693 -0.287 1.00 0.00 N ATOM 873 CA GLU A 58 -5.996 12.727 -1.350 1.00 0.00 C ATOM 874 C GLU A 58 -5.606 11.319 -0.908 1.00 0.00 C ATOM 875 O GLU A 58 -6.432 10.407 -0.909 1.00 0.00 O ATOM 876 CB GLU A 58 -5.217 13.111 -2.610 1.00 0.00 C ATOM 877 CG GLU A 58 -3.733 13.324 -2.366 1.00 0.00 C ATOM 878 CD GLU A 58 -3.101 14.250 -3.387 1.00 0.00 C ATOM 879 OE1 GLU A 58 -3.741 14.514 -4.426 1.00 0.00 O ATOM 880 OE2 GLU A 58 -1.965 14.711 -3.146 1.00 0.00 O ATOM 0 H GLU A 58 -5.063 14.411 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.063 12.737 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.345 12.329 -3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.643 14.024 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.588 13.737 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.223 12.361 -2.389 1.00 0.00 H new ATOM 887 N GLU A 59 -4.342 11.153 -0.532 1.00 0.00 N ATOM 888 CA GLU A 59 -3.842 9.856 -0.088 1.00 0.00 C ATOM 889 C GLU A 59 -4.857 9.162 0.815 1.00 0.00 C ATOM 890 O GLU A 59 -4.991 7.938 0.792 1.00 0.00 O ATOM 891 CB GLU A 59 -2.514 10.023 0.652 1.00 0.00 C ATOM 892 CG GLU A 59 -1.297 9.946 -0.255 1.00 0.00 C ATOM 893 CD GLU A 59 -1.303 11.015 -1.331 1.00 0.00 C ATOM 894 OE1 GLU A 59 -1.384 12.211 -0.980 1.00 0.00 O ATOM 895 OE2 GLU A 59 -1.227 10.655 -2.524 1.00 0.00 O ATOM 0 H GLU A 59 -3.646 11.899 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.682 9.235 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.513 10.984 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.435 9.251 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.393 10.046 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.260 8.963 -0.725 1.00 0.00 H new ATOM 902 N PHE A 60 -5.570 9.952 1.611 1.00 0.00 N ATOM 903 CA PHE A 60 -6.572 9.414 2.524 1.00 0.00 C ATOM 904 C PHE A 60 -7.797 8.923 1.759 1.00 0.00 C ATOM 905 O PHE A 60 -8.166 7.751 1.844 1.00 0.00 O ATOM 906 CB PHE A 60 -6.986 10.477 3.544 1.00 0.00 C ATOM 907 CG PHE A 60 -8.150 10.066 4.399 1.00 0.00 C ATOM 908 CD1 PHE A 60 -8.138 8.856 5.074 1.00 0.00 C ATOM 909 CD2 PHE A 60 -9.257 10.890 4.530 1.00 0.00 C ATOM 910 CE1 PHE A 60 -9.208 8.475 5.861 1.00 0.00 C ATOM 911 CE2 PHE A 60 -10.330 10.514 5.316 1.00 0.00 C ATOM 912 CZ PHE A 60 -10.305 9.305 5.983 1.00 0.00 C ATOM 0 H PHE A 60 -5.473 10.967 1.642 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.131 8.567 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.135 10.703 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -7.240 11.396 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.282 8.203 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -9.281 11.837 4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -9.186 7.528 6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -11.187 11.165 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 60 -11.142 9.009 6.599 1.00 0.00 H new ATOM 922 N CYS A 61 -8.423 9.826 1.013 1.00 0.00 N ATOM 923 CA CYS A 61 -9.608 9.486 0.233 1.00 0.00 C ATOM 924 C CYS A 61 -9.344 8.275 -0.655 1.00 0.00 C ATOM 925 O CYS A 61 -10.123 7.322 -0.668 1.00 0.00 O ATOM 926 CB CYS A 61 -10.040 10.677 -0.623 1.00 0.00 C ATOM 927 SG CYS A 61 -11.734 10.565 -1.244 1.00 0.00 S ATOM 0 H CYS A 61 -8.130 10.800 0.932 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.411 9.237 0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.940 11.589 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.359 10.768 -1.470 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.006 11.619 -1.955 1.00 0.00 H new ATOM 933 N GLU A 62 -8.243 8.320 -1.397 1.00 0.00 N ATOM 934 CA GLU A 62 -7.879 7.226 -2.291 1.00 0.00 C ATOM 935 C GLU A 62 -7.884 5.893 -1.549 1.00 0.00 C ATOM 936 O GLU A 62 -8.126 4.841 -2.141 1.00 0.00 O ATOM 937 CB GLU A 62 -6.499 7.476 -2.904 1.00 0.00 C ATOM 938 CG GLU A 62 -6.462 8.660 -3.856 1.00 0.00 C ATOM 939 CD GLU A 62 -7.641 8.680 -4.808 1.00 0.00 C ATOM 940 OE1 GLU A 62 -7.795 7.712 -5.582 1.00 0.00 O ATOM 941 OE2 GLU A 62 -8.410 9.664 -4.781 1.00 0.00 O ATOM 0 H GLU A 62 -7.587 9.101 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.620 7.181 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.779 7.642 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.180 6.581 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.450 9.585 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.536 8.631 -4.431 1.00 0.00 H new ATOM 948 N PHE A 63 -7.614 5.945 -0.248 1.00 0.00 N ATOM 949 CA PHE A 63 -7.586 4.742 0.575 1.00 0.00 C ATOM 950 C PHE A 63 -8.987 4.383 1.063 1.00 0.00 C ATOM 951 O PHE A 63 -9.272 3.226 1.370 1.00 0.00 O ATOM 952 CB PHE A 63 -6.653 4.940 1.772 1.00 0.00 C ATOM 953 CG PHE A 63 -6.837 3.913 2.852 1.00 0.00 C ATOM 954 CD1 PHE A 63 -7.804 4.082 3.830 1.00 0.00 C ATOM 955 CD2 PHE A 63 -6.043 2.778 2.890 1.00 0.00 C ATOM 956 CE1 PHE A 63 -7.977 3.139 4.825 1.00 0.00 C ATOM 957 CE2 PHE A 63 -6.212 1.831 3.883 1.00 0.00 C ATOM 958 CZ PHE A 63 -7.179 2.012 4.852 1.00 0.00 C ATOM 0 H PHE A 63 -7.412 6.807 0.258 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.213 3.922 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.620 4.910 1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.820 5.932 2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.430 4.962 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.284 2.632 2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.735 3.283 5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.588 0.950 3.901 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.311 1.274 5.629 1.00 0.00 H new ATOM 968 N VAL A 64 -9.857 5.385 1.131 1.00 0.00 N ATOM 969 CA VAL A 64 -11.229 5.177 1.580 1.00 0.00 C ATOM 970 C VAL A 64 -12.160 4.916 0.401 1.00 0.00 C ATOM 971 O VAL A 64 -13.087 5.684 0.145 1.00 0.00 O ATOM 972 CB VAL A 64 -11.751 6.390 2.373 1.00 0.00 C ATOM 973 CG1 VAL A 64 -12.995 6.016 3.164 1.00 0.00 C ATOM 974 CG2 VAL A 64 -10.666 6.931 3.293 1.00 0.00 C ATOM 0 H VAL A 64 -9.637 6.349 0.881 1.00 0.00 H new ATOM 0 HA VAL A 64 -11.219 4.303 2.232 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.022 7.175 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.349 6.886 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.774 5.680 2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.755 5.214 3.862 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.052 7.788 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.362 6.154 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.806 7.240 2.699 1.00 0.00 H new ATOM 984 N LYS A 65 -11.907 3.825 -0.315 1.00 0.00 N ATOM 985 CA LYS A 65 -12.722 3.460 -1.467 1.00 0.00 C ATOM 986 C LYS A 65 -13.790 2.443 -1.077 1.00 0.00 C ATOM 987 O LYS A 65 -14.069 1.505 -1.823 1.00 0.00 O ATOM 988 CB LYS A 65 -11.841 2.889 -2.581 1.00 0.00 C ATOM 989 CG LYS A 65 -11.328 3.940 -3.550 1.00 0.00 C ATOM 990 CD LYS A 65 -12.412 4.381 -4.519 1.00 0.00 C ATOM 991 CE LYS A 65 -13.019 3.196 -5.253 1.00 0.00 C ATOM 992 NZ LYS A 65 -13.742 3.618 -6.485 1.00 0.00 N ATOM 0 H LYS A 65 -11.143 3.178 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.218 4.360 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.991 2.374 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.409 2.142 -3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.964 4.803 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.481 3.540 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.193 4.913 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.993 5.082 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.231 2.491 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.707 2.672 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.141 2.782 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.510 4.271 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.080 4.096 -7.129 1.00 0.00 H new ATOM 1006 N SER A 66 -14.385 2.637 0.096 1.00 0.00 N ATOM 1007 CA SER A 66 -15.421 1.735 0.585 1.00 0.00 C ATOM 1008 C SER A 66 -16.793 2.400 0.526 1.00 0.00 C ATOM 1009 O SER A 66 -17.776 1.785 0.117 1.00 0.00 O ATOM 1010 CB SER A 66 -15.113 1.302 2.020 1.00 0.00 C ATOM 1011 OG SER A 66 -16.152 0.491 2.542 1.00 0.00 O ATOM 0 H SER A 66 -14.167 3.410 0.725 1.00 0.00 H new ATOM 0 HA SER A 66 -15.435 0.855 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.172 0.753 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.984 2.183 2.649 1.00 0.00 H new ATOM 0 HG SER A 66 -15.931 0.226 3.459 1.00 0.00 H new ATOM 1017 N ASN A 67 -16.849 3.662 0.939 1.00 0.00 N ATOM 1018 CA ASN A 67 -18.100 4.412 0.934 1.00 0.00 C ATOM 1019 C ASN A 67 -17.955 5.707 0.139 1.00 0.00 C ATOM 1020 O ASN A 67 -16.848 6.103 -0.225 1.00 0.00 O ATOM 1021 CB ASN A 67 -18.536 4.727 2.367 1.00 0.00 C ATOM 1022 CG ASN A 67 -19.998 5.120 2.453 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -20.337 6.303 2.435 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -20.873 4.125 2.548 1.00 0.00 N ATOM 0 H ASN A 67 -16.044 4.186 1.281 1.00 0.00 H new ATOM 0 HA ASN A 67 -18.862 3.796 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -18.359 3.856 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -17.921 5.536 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -21.871 4.327 2.610 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -20.547 3.159 2.559 1.00 0.00 H new ATOM 1031 N SER A 68 -19.081 6.361 -0.126 1.00 0.00 N ATOM 1032 CA SER A 68 -19.081 7.609 -0.880 1.00 0.00 C ATOM 1033 C SER A 68 -18.570 8.763 -0.022 1.00 0.00 C ATOM 1034 O SER A 68 -19.351 9.479 0.603 1.00 0.00 O ATOM 1035 CB SER A 68 -20.489 7.922 -1.390 1.00 0.00 C ATOM 1036 OG SER A 68 -20.473 9.014 -2.293 1.00 0.00 O ATOM 0 H SER A 68 -20.005 6.047 0.170 1.00 0.00 H new ATOM 0 HA SER A 68 -18.412 7.489 -1.732 1.00 0.00 H new ATOM 0 HB2 SER A 68 -20.904 7.043 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 68 -21.142 8.152 -0.548 1.00 0.00 H new ATOM 0 HG SER A 68 -21.384 9.193 -2.606 1.00 0.00 H new ATOM 1042 N GLY A 69 -17.252 8.935 0.004 1.00 0.00 N ATOM 1043 CA GLY A 69 -16.658 10.002 0.788 1.00 0.00 C ATOM 1044 C GLY A 69 -16.782 9.763 2.280 1.00 0.00 C ATOM 1045 O GLY A 69 -17.760 9.188 2.759 1.00 0.00 O ATOM 0 H GLY A 69 -16.585 8.354 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.605 10.099 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.138 10.947 0.533 1.00 0.00 H new ATOM 1049 N PRO A 70 -15.771 10.209 3.040 1.00 0.00 N ATOM 1050 CA PRO A 70 -15.747 10.050 4.498 1.00 0.00 C ATOM 1051 C PRO A 70 -16.785 10.924 5.193 1.00 0.00 C ATOM 1052 O PRO A 70 -17.594 11.583 4.539 1.00 0.00 O ATOM 1053 CB PRO A 70 -14.333 10.494 4.879 1.00 0.00 C ATOM 1054 CG PRO A 70 -13.918 11.418 3.787 1.00 0.00 C ATOM 1055 CD PRO A 70 -14.574 10.902 2.536 1.00 0.00 C ATOM 0 HA PRO A 70 -15.985 9.030 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.323 10.995 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.657 9.642 4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -14.233 12.440 4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.833 11.434 3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.835 11.712 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.918 10.225 1.988 1.00 0.00 H new ATOM 1063 N SER A 71 -16.757 10.925 6.522 1.00 0.00 N ATOM 1064 CA SER A 71 -17.698 11.716 7.306 1.00 0.00 C ATOM 1065 C SER A 71 -17.061 13.025 7.761 1.00 0.00 C ATOM 1066 O SER A 71 -15.888 13.061 8.133 1.00 0.00 O ATOM 1067 CB SER A 71 -18.178 10.920 8.521 1.00 0.00 C ATOM 1068 OG SER A 71 -17.083 10.439 9.280 1.00 0.00 O ATOM 0 H SER A 71 -16.093 10.387 7.078 1.00 0.00 H new ATOM 0 HA SER A 71 -18.554 11.950 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.809 11.551 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.792 10.082 8.191 1.00 0.00 H new ATOM 0 HG SER A 71 -17.416 9.935 10.052 1.00 0.00 H new ATOM 1074 N SER A 72 -17.842 14.100 7.729 1.00 0.00 N ATOM 1075 CA SER A 72 -17.354 15.413 8.135 1.00 0.00 C ATOM 1076 C SER A 72 -16.447 15.301 9.356 1.00 0.00 C ATOM 1077 O SER A 72 -16.727 14.544 10.284 1.00 0.00 O ATOM 1078 CB SER A 72 -18.529 16.345 8.440 1.00 0.00 C ATOM 1079 OG SER A 72 -18.073 17.630 8.824 1.00 0.00 O ATOM 0 H SER A 72 -18.816 14.088 7.426 1.00 0.00 H new ATOM 0 HA SER A 72 -16.774 15.829 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 72 -19.168 16.430 7.561 1.00 0.00 H new ATOM 0 HB3 SER A 72 -19.138 15.919 9.237 1.00 0.00 H new ATOM 0 HG SER A 72 -18.842 18.207 9.012 1.00 0.00 H new ATOM 1085 N GLY A 73 -15.358 16.064 9.348 1.00 0.00 N ATOM 1086 CA GLY A 73 -14.425 16.037 10.459 1.00 0.00 C ATOM 1087 C GLY A 73 -13.138 16.777 10.154 1.00 0.00 C ATOM 1088 O GLY A 73 -12.459 16.426 9.190 1.00 0.00 O ATOM 0 H GLY A 73 -15.105 16.700 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.896 16.481 11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.194 15.002 10.711 1.00 0.00 H new TER 1092 GLY A 73 HETATM 1093 ZN ZN A 201 3.104 11.737 4.897 1.00 0.00 ZN