USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 69:sc= 0.822 USER MOD Set 1.2: A 100 GLN :FLIP amide:sc= 0.733 F(o=0.078,f=1.6) USER MOD Set 2.1: A 83 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 85 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Set 3.1: A 36 SER OG : rot -29:sc= 1.54 USER MOD Set 3.2: A 91 ASN : amide:sc= 0.393 K(o=1.9,f=0.72) USER MOD Set 4.1: A 33 MET CE :methyl -140:sc= -1.11 (180deg=-3.51!) USER MOD Set 4.2: A 37 THR OG1 : rot -174:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.202 K(o=-0.2,f=-5.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= 0.601 (180deg=0.592) USER MOD Single : A 8 SER OG : rot 180:sc= 0.4 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 165:sc= 1.2 USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= 1.22 (180deg=1.15) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.864 K(o=0.86,f=-0.038) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -3.55! C(o=-3.5!,f=-8.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= -0.836 (180deg=-2.22!) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0574) USER MOD Single : A 46 HIS : no HE2:sc= 1.19 K(o=1.2,f=-4.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc=-0.00358 F(o=-0.91,f=-0.0036) USER MOD Single : A 67 ASN : amide:sc= -0.422 K(o=-0.42,f=-9.8!) USER MOD Single : A 71 THR OG1 : rot 125:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0201) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0488 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -139:sc= -0.373 (180deg=-2.83!) USER MOD Single : A 102 GLN :FLIP amide:sc= -1.34 F(o=-5.8!,f=-1.3) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0075 X(o=-0.0075,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 19.320 15.872 -10.382 1.00 0.00 N ATOM 2 CA VAL A 2 20.691 15.420 -10.228 1.00 0.00 C ATOM 3 C VAL A 2 21.210 15.803 -8.841 1.00 0.00 C ATOM 4 O VAL A 2 21.585 16.950 -8.580 1.00 0.00 O ATOM 5 CB VAL A 2 21.618 15.968 -11.350 1.00 0.00 C ATOM 6 CG1 VAL A 2 21.529 17.484 -11.462 1.00 0.00 C ATOM 7 CG2 VAL A 2 23.060 15.533 -11.126 1.00 0.00 C ATOM 0 HA VAL A 2 20.702 14.334 -10.322 1.00 0.00 H new ATOM 0 HB VAL A 2 21.271 15.544 -12.292 1.00 0.00 H new ATOM 0 HG11 VAL A 2 22.191 17.830 -12.256 1.00 0.00 H new ATOM 0 HG12 VAL A 2 20.503 17.772 -11.693 1.00 0.00 H new ATOM 0 HG13 VAL A 2 21.829 17.937 -10.517 1.00 0.00 H new ATOM 0 HG21 VAL A 2 23.688 15.929 -11.924 1.00 0.00 H new ATOM 0 HG22 VAL A 2 23.410 15.914 -10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 2 23.116 14.444 -11.127 1.00 0.00 H new ATOM 17 N ASN A 3 21.193 14.839 -7.935 1.00 0.00 N ATOM 18 CA ASN A 3 21.571 15.082 -6.553 1.00 0.00 C ATOM 19 C ASN A 3 21.983 13.786 -5.864 1.00 0.00 C ATOM 20 O ASN A 3 23.017 13.741 -5.197 1.00 0.00 O ATOM 21 CB ASN A 3 20.422 15.774 -5.793 1.00 0.00 C ATOM 22 CG ASN A 3 19.126 14.972 -5.752 1.00 0.00 C ATOM 23 OD1 ASN A 3 18.836 14.173 -6.642 1.00 0.00 O ATOM 24 ND2 ASN A 3 18.327 15.198 -4.722 1.00 0.00 N ATOM 0 H ASN A 3 20.920 13.876 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 3 22.433 15.749 -6.546 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.745 15.973 -4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 3 20.224 16.740 -6.258 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.438 14.703 -4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 3 18.600 15.867 -4.002 1.00 0.00 H new ATOM 31 N PHE A 4 21.177 12.744 -6.059 1.00 0.00 N ATOM 32 CA PHE A 4 21.417 11.417 -5.486 1.00 0.00 C ATOM 33 C PHE A 4 21.462 11.463 -3.957 1.00 0.00 C ATOM 34 O PHE A 4 20.454 11.216 -3.294 1.00 0.00 O ATOM 35 CB PHE A 4 22.709 10.806 -6.050 1.00 0.00 C ATOM 36 CG PHE A 4 22.940 9.376 -5.637 1.00 0.00 C ATOM 37 CD1 PHE A 4 22.155 8.358 -6.154 1.00 0.00 C ATOM 38 CD2 PHE A 4 23.944 9.051 -4.739 1.00 0.00 C ATOM 39 CE1 PHE A 4 22.364 7.044 -5.782 1.00 0.00 C ATOM 40 CE2 PHE A 4 24.158 7.737 -4.362 1.00 0.00 C ATOM 41 CZ PHE A 4 23.367 6.733 -4.885 1.00 0.00 C ATOM 0 H PHE A 4 20.330 12.796 -6.625 1.00 0.00 H new ATOM 0 HA PHE A 4 20.580 10.780 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 4 22.679 10.859 -7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.557 11.409 -5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.370 8.595 -6.857 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.567 9.832 -4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.744 6.261 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 4 24.943 7.497 -3.660 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.532 5.706 -4.593 1.00 0.00 H new ATOM 51 N LYS A 5 22.631 11.814 -3.421 1.00 0.00 N ATOM 52 CA LYS A 5 22.882 11.852 -1.980 1.00 0.00 C ATOM 53 C LYS A 5 22.757 10.471 -1.345 1.00 0.00 C ATOM 54 O LYS A 5 21.653 9.945 -1.174 1.00 0.00 O ATOM 55 CB LYS A 5 21.959 12.844 -1.266 1.00 0.00 C ATOM 56 CG LYS A 5 22.197 14.290 -1.665 1.00 0.00 C ATOM 57 CD LYS A 5 21.534 15.253 -0.697 1.00 0.00 C ATOM 58 CE LYS A 5 22.089 15.085 0.708 1.00 0.00 C ATOM 59 NZ LYS A 5 21.572 16.116 1.642 1.00 0.00 N ATOM 0 H LYS A 5 23.440 12.083 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 5 23.910 12.193 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 5 20.923 12.582 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 5 22.097 12.745 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 5 23.268 14.487 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.810 14.459 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.691 16.278 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.458 15.082 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.830 14.095 1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.177 15.139 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.977 15.962 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.841 17.061 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.536 16.049 1.694 1.00 0.00 H new ATOM 73 N ASP A 6 23.903 9.896 -0.999 1.00 0.00 N ATOM 74 CA ASP A 6 23.958 8.585 -0.355 1.00 0.00 C ATOM 75 C ASP A 6 23.169 8.586 0.947 1.00 0.00 C ATOM 76 O ASP A 6 23.228 9.542 1.724 1.00 0.00 O ATOM 77 CB ASP A 6 25.406 8.184 -0.065 1.00 0.00 C ATOM 78 CG ASP A 6 26.209 7.904 -1.317 1.00 0.00 C ATOM 79 OD1 ASP A 6 26.702 8.864 -1.943 1.00 0.00 O ATOM 80 OD2 ASP A 6 26.376 6.714 -1.666 1.00 0.00 O ATOM 0 H ASP A 6 24.817 10.321 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 6 23.515 7.863 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 6 25.891 8.981 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 6 25.411 7.297 0.568 1.00 0.00 H new ATOM 85 N LYS A 7 22.435 7.510 1.187 1.00 0.00 N ATOM 86 CA LYS A 7 21.580 7.412 2.363 1.00 0.00 C ATOM 87 C LYS A 7 21.701 6.033 2.991 1.00 0.00 C ATOM 88 O LYS A 7 22.178 5.887 4.116 1.00 0.00 O ATOM 89 CB LYS A 7 20.118 7.674 1.981 1.00 0.00 C ATOM 90 CG LYS A 7 19.881 9.035 1.352 1.00 0.00 C ATOM 91 CD LYS A 7 18.433 9.216 0.937 1.00 0.00 C ATOM 92 CE LYS A 7 18.211 10.578 0.306 1.00 0.00 C ATOM 93 NZ LYS A 7 18.974 10.746 -0.961 1.00 0.00 N ATOM 0 H LYS A 7 22.414 6.689 0.582 1.00 0.00 H new ATOM 0 HA LYS A 7 21.902 8.163 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 7 19.790 6.901 1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.498 7.584 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.157 9.816 2.060 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.526 9.151 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.154 8.435 0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.786 9.105 1.807 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.148 10.715 0.108 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.507 11.355 1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.764 11.678 -1.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.993 10.676 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.699 10.002 -1.633 1.00 0.00 H new ATOM 107 N SER A 8 21.278 5.037 2.231 1.00 0.00 N ATOM 108 CA SER A 8 21.237 3.654 2.676 1.00 0.00 C ATOM 109 C SER A 8 20.610 2.822 1.558 1.00 0.00 C ATOM 110 O SER A 8 20.653 3.224 0.392 1.00 0.00 O ATOM 111 CB SER A 8 20.411 3.534 3.969 1.00 0.00 C ATOM 112 OG SER A 8 20.524 2.240 4.538 1.00 0.00 O ATOM 0 H SER A 8 20.949 5.168 1.274 1.00 0.00 H new ATOM 0 HA SER A 8 22.243 3.294 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 8 20.749 4.280 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.364 3.749 3.755 1.00 0.00 H new ATOM 0 HG SER A 8 19.990 2.196 5.358 1.00 0.00 H new ATOM 118 N MET A 9 20.046 1.675 1.901 1.00 0.00 N ATOM 119 CA MET A 9 19.285 0.894 0.940 1.00 0.00 C ATOM 120 C MET A 9 18.040 1.681 0.527 1.00 0.00 C ATOM 121 O MET A 9 17.452 2.387 1.347 1.00 0.00 O ATOM 122 CB MET A 9 18.880 -0.460 1.533 1.00 0.00 C ATOM 123 CG MET A 9 17.964 -0.344 2.740 1.00 0.00 C ATOM 124 SD MET A 9 17.431 -1.944 3.373 1.00 0.00 S ATOM 125 CE MET A 9 16.404 -1.428 4.743 1.00 0.00 C ATOM 0 H MET A 9 20.100 1.266 2.834 1.00 0.00 H new ATOM 0 HA MET A 9 19.908 0.705 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.381 -1.050 0.764 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.779 -1.005 1.820 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.481 0.200 3.531 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.087 0.244 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 9 15.996 -2.306 5.243 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.002 -0.854 5.450 1.00 0.00 H new ATOM 0 HE3 MET A 9 15.587 -0.809 4.372 1.00 0.00 H new ATOM 135 N PRO A 10 17.649 1.595 -0.751 1.00 0.00 N ATOM 136 CA PRO A 10 16.465 2.291 -1.263 1.00 0.00 C ATOM 137 C PRO A 10 15.203 1.935 -0.477 1.00 0.00 C ATOM 138 O PRO A 10 14.732 0.793 -0.507 1.00 0.00 O ATOM 139 CB PRO A 10 16.355 1.812 -2.718 1.00 0.00 C ATOM 140 CG PRO A 10 17.235 0.613 -2.812 1.00 0.00 C ATOM 141 CD PRO A 10 18.321 0.814 -1.797 1.00 0.00 C ATOM 0 HA PRO A 10 16.560 3.373 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.325 1.563 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.676 2.589 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.674 -0.299 -2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.652 0.513 -3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.697 -0.135 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.173 1.349 -2.217 1.00 0.00 H new ATOM 149 N THR A 11 14.672 2.915 0.243 1.00 0.00 N ATOM 150 CA THR A 11 13.504 2.711 1.074 1.00 0.00 C ATOM 151 C THR A 11 12.237 2.560 0.241 1.00 0.00 C ATOM 152 O THR A 11 11.632 3.544 -0.192 1.00 0.00 O ATOM 153 CB THR A 11 13.343 3.862 2.081 1.00 0.00 C ATOM 154 OG1 THR A 11 13.876 5.072 1.526 1.00 0.00 O ATOM 155 CG2 THR A 11 14.048 3.534 3.391 1.00 0.00 C ATOM 0 H THR A 11 15.040 3.866 0.264 1.00 0.00 H new ATOM 0 HA THR A 11 13.656 1.781 1.622 1.00 0.00 H new ATOM 0 HB THR A 11 12.281 3.998 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.569 5.838 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.922 4.361 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.617 2.629 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.110 3.377 3.203 1.00 0.00 H new ATOM 163 N ALA A 12 11.847 1.308 0.017 1.00 0.00 N ATOM 164 CA ALA A 12 10.627 0.999 -0.718 1.00 0.00 C ATOM 165 C ALA A 12 9.418 1.590 -0.013 1.00 0.00 C ATOM 166 O ALA A 12 8.440 1.977 -0.651 1.00 0.00 O ATOM 167 CB ALA A 12 10.469 -0.507 -0.861 1.00 0.00 C ATOM 0 H ALA A 12 12.362 0.488 0.337 1.00 0.00 H new ATOM 0 HA ALA A 12 10.698 1.441 -1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.554 -0.726 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.324 -0.913 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.415 -0.963 0.128 1.00 0.00 H new ATOM 173 N ILE A 13 9.508 1.672 1.310 1.00 0.00 N ATOM 174 CA ILE A 13 8.433 2.210 2.130 1.00 0.00 C ATOM 175 C ILE A 13 8.080 3.634 1.704 1.00 0.00 C ATOM 176 O ILE A 13 6.940 3.913 1.339 1.00 0.00 O ATOM 177 CB ILE A 13 8.824 2.207 3.622 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.233 0.796 4.059 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.668 2.717 4.472 1.00 0.00 C ATOM 180 CD1 ILE A 13 9.717 0.721 5.490 1.00 0.00 C ATOM 0 H ILE A 13 10.325 1.369 1.840 1.00 0.00 H new ATOM 0 HA ILE A 13 7.563 1.569 1.987 1.00 0.00 H new ATOM 0 HB ILE A 13 9.675 2.873 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.382 0.126 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.021 0.434 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.958 2.709 5.523 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.417 3.734 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.800 2.073 4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.989 -0.307 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.588 1.365 5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.923 1.051 6.160 1.00 0.00 H new ATOM 192 N GLU A 14 9.075 4.517 1.719 1.00 0.00 N ATOM 193 CA GLU A 14 8.862 5.924 1.385 1.00 0.00 C ATOM 194 C GLU A 14 8.284 6.082 -0.022 1.00 0.00 C ATOM 195 O GLU A 14 7.415 6.919 -0.247 1.00 0.00 O ATOM 196 CB GLU A 14 10.177 6.704 1.509 1.00 0.00 C ATOM 197 CG GLU A 14 10.645 6.889 2.944 1.00 0.00 C ATOM 198 CD GLU A 14 11.944 7.667 3.039 1.00 0.00 C ATOM 199 OE1 GLU A 14 13.021 7.040 2.983 1.00 0.00 O ATOM 200 OE2 GLU A 14 11.899 8.906 3.181 1.00 0.00 O ATOM 0 H GLU A 14 10.038 4.283 1.959 1.00 0.00 H new ATOM 0 HA GLU A 14 8.138 6.330 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.953 6.183 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.053 7.684 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.872 7.409 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.777 5.912 3.408 1.00 0.00 H new ATOM 207 N LYS A 15 8.747 5.258 -0.953 1.00 0.00 N ATOM 208 CA LYS A 15 8.279 5.342 -2.328 1.00 0.00 C ATOM 209 C LYS A 15 6.866 4.777 -2.454 1.00 0.00 C ATOM 210 O LYS A 15 6.063 5.264 -3.249 1.00 0.00 O ATOM 211 CB LYS A 15 9.235 4.614 -3.276 1.00 0.00 C ATOM 212 CG LYS A 15 8.923 4.853 -4.748 1.00 0.00 C ATOM 213 CD LYS A 15 8.872 6.340 -5.070 1.00 0.00 C ATOM 214 CE LYS A 15 8.517 6.589 -6.526 1.00 0.00 C ATOM 215 NZ LYS A 15 8.362 8.038 -6.820 1.00 0.00 N ATOM 0 H LYS A 15 9.441 4.530 -0.782 1.00 0.00 H new ATOM 0 HA LYS A 15 8.255 6.394 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.255 4.938 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.193 3.544 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.681 4.371 -5.365 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.968 4.392 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.137 6.826 -4.428 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.838 6.793 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.294 6.170 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.590 6.069 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.624 8.221 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.373 8.320 -6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.981 8.588 -6.190 1.00 0.00 H new ATOM 229 N ALA A 16 6.558 3.755 -1.667 1.00 0.00 N ATOM 230 CA ALA A 16 5.210 3.195 -1.644 1.00 0.00 C ATOM 231 C ALA A 16 4.216 4.234 -1.135 1.00 0.00 C ATOM 232 O ALA A 16 3.092 4.330 -1.628 1.00 0.00 O ATOM 233 CB ALA A 16 5.163 1.944 -0.783 1.00 0.00 C ATOM 0 H ALA A 16 7.218 3.297 -1.038 1.00 0.00 H new ATOM 0 HA ALA A 16 4.933 2.917 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.150 1.543 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.847 1.198 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.458 2.193 0.236 1.00 0.00 H new ATOM 239 N LEU A 17 4.648 5.016 -0.151 1.00 0.00 N ATOM 240 CA LEU A 17 3.840 6.111 0.373 1.00 0.00 C ATOM 241 C LEU A 17 3.621 7.174 -0.697 1.00 0.00 C ATOM 242 O LEU A 17 2.569 7.815 -0.740 1.00 0.00 O ATOM 243 CB LEU A 17 4.503 6.737 1.607 1.00 0.00 C ATOM 244 CG LEU A 17 4.130 6.107 2.955 1.00 0.00 C ATOM 245 CD1 LEU A 17 2.628 6.136 3.151 1.00 0.00 C ATOM 246 CD2 LEU A 17 4.647 4.685 3.069 1.00 0.00 C ATOM 0 H LEU A 17 5.556 4.911 0.301 1.00 0.00 H new ATOM 0 HA LEU A 17 2.873 5.704 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.585 6.676 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.245 7.795 1.638 1.00 0.00 H new ATOM 0 HG LEU A 17 4.604 6.697 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.378 5.686 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.278 7.168 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.146 5.575 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.364 4.271 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.216 4.076 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.733 4.684 2.978 1.00 0.00 H new ATOM 258 N ASP A 18 4.615 7.350 -1.559 1.00 0.00 N ATOM 259 CA ASP A 18 4.519 8.291 -2.669 1.00 0.00 C ATOM 260 C ASP A 18 3.473 7.831 -3.681 1.00 0.00 C ATOM 261 O ASP A 18 2.714 8.644 -4.210 1.00 0.00 O ATOM 262 CB ASP A 18 5.883 8.451 -3.345 1.00 0.00 C ATOM 263 CG ASP A 18 5.823 9.302 -4.597 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.475 10.494 -4.497 1.00 0.00 O ATOM 265 OD2 ASP A 18 6.126 8.776 -5.690 1.00 0.00 O ATOM 0 H ASP A 18 5.503 6.850 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 18 4.207 9.258 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.582 8.900 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.275 7.466 -3.599 1.00 0.00 H new ATOM 270 N PHE A 19 3.427 6.524 -3.935 1.00 0.00 N ATOM 271 CA PHE A 19 2.424 5.950 -4.829 1.00 0.00 C ATOM 272 C PHE A 19 1.011 6.182 -4.297 1.00 0.00 C ATOM 273 O PHE A 19 0.100 6.520 -5.051 1.00 0.00 O ATOM 274 CB PHE A 19 2.651 4.446 -5.019 1.00 0.00 C ATOM 275 CG PHE A 19 3.741 4.083 -5.994 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.568 4.290 -7.354 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.926 3.515 -5.553 1.00 0.00 C ATOM 278 CE1 PHE A 19 4.560 3.940 -8.255 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.919 3.160 -6.448 1.00 0.00 C ATOM 280 CZ PHE A 19 5.735 3.373 -7.802 1.00 0.00 C ATOM 0 H PHE A 19 4.072 5.843 -3.534 1.00 0.00 H new ATOM 0 HA PHE A 19 2.528 6.452 -5.791 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.889 4.005 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.718 3.993 -5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.650 4.729 -7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.076 3.347 -4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.415 4.110 -9.312 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.837 2.717 -6.090 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.508 3.097 -8.503 1.00 0.00 H new ATOM 290 N ILE A 20 0.834 5.992 -2.994 1.00 0.00 N ATOM 291 CA ILE A 20 -0.480 6.141 -2.373 1.00 0.00 C ATOM 292 C ILE A 20 -0.858 7.617 -2.244 1.00 0.00 C ATOM 293 O ILE A 20 -1.975 8.013 -2.579 1.00 0.00 O ATOM 294 CB ILE A 20 -0.525 5.483 -0.978 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.084 4.017 -1.059 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.925 5.580 -0.393 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.036 3.318 0.283 1.00 0.00 C ATOM 0 H ILE A 20 1.580 5.735 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.197 5.638 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 20 0.165 6.016 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.767 3.478 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.903 3.969 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.941 5.112 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.209 6.628 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.630 5.070 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.284 2.285 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.669 3.832 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.027 3.333 0.737 1.00 0.00 H new ATOM 309 N GLY A 21 0.079 8.421 -1.753 1.00 0.00 N ATOM 310 CA GLY A 21 -0.177 9.834 -1.560 1.00 0.00 C ATOM 311 C GLY A 21 -0.406 10.560 -2.868 1.00 0.00 C ATOM 312 O GLY A 21 -1.370 11.313 -3.010 1.00 0.00 O ATOM 0 H GLY A 21 1.015 8.116 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.051 9.959 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.667 10.286 -1.039 1.00 0.00 H new ATOM 316 N GLY A 22 0.500 10.355 -3.817 1.00 0.00 N ATOM 317 CA GLY A 22 0.355 10.945 -5.135 1.00 0.00 C ATOM 318 C GLY A 22 0.584 12.446 -5.157 1.00 0.00 C ATOM 319 O GLY A 22 0.623 13.045 -6.231 1.00 0.00 O ATOM 0 H GLY A 22 1.338 9.787 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.059 10.468 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.646 10.733 -5.511 1.00 0.00 H new ATOM 323 N MET A 23 0.716 13.055 -3.974 1.00 0.00 N ATOM 324 CA MET A 23 0.904 14.503 -3.841 1.00 0.00 C ATOM 325 C MET A 23 -0.327 15.251 -4.371 1.00 0.00 C ATOM 326 O MET A 23 -0.262 16.423 -4.737 1.00 0.00 O ATOM 327 CB MET A 23 2.185 14.950 -4.568 1.00 0.00 C ATOM 328 CG MET A 23 2.589 16.388 -4.280 1.00 0.00 C ATOM 329 SD MET A 23 4.109 16.871 -5.125 1.00 0.00 S ATOM 330 CE MET A 23 4.180 18.610 -4.698 1.00 0.00 C ATOM 0 H MET A 23 0.696 12.559 -3.083 1.00 0.00 H new ATOM 0 HA MET A 23 1.018 14.747 -2.785 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.003 14.289 -4.281 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.041 14.832 -5.642 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.782 17.055 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.720 16.515 -3.205 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.067 19.059 -5.146 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.289 19.114 -5.074 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.227 18.717 -3.614 1.00 0.00 H new ATOM 340 N ASN A 24 -1.462 14.562 -4.380 1.00 0.00 N ATOM 341 CA ASN A 24 -2.710 15.140 -4.868 1.00 0.00 C ATOM 342 C ASN A 24 -3.846 14.863 -3.895 1.00 0.00 C ATOM 343 O ASN A 24 -3.735 13.998 -3.027 1.00 0.00 O ATOM 344 CB ASN A 24 -3.061 14.591 -6.256 1.00 0.00 C ATOM 345 CG ASN A 24 -2.229 15.211 -7.368 1.00 0.00 C ATOM 346 OD1 ASN A 24 -2.602 16.236 -7.935 1.00 0.00 O ATOM 347 ND2 ASN A 24 -1.098 14.602 -7.686 1.00 0.00 N ATOM 0 H ASN A 24 -1.545 13.599 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.571 16.218 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.916 13.511 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.117 14.772 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.504 14.982 -8.423 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.820 13.753 -7.194 1.00 0.00 H new ATOM 354 N THR A 25 -4.931 15.607 -4.033 1.00 0.00 N ATOM 355 CA THR A 25 -6.075 15.457 -3.149 1.00 0.00 C ATOM 356 C THR A 25 -7.341 15.198 -3.979 1.00 0.00 C ATOM 357 O THR A 25 -7.247 14.729 -5.115 1.00 0.00 O ATOM 358 CB THR A 25 -6.255 16.727 -2.285 1.00 0.00 C ATOM 359 OG1 THR A 25 -4.980 17.361 -2.082 1.00 0.00 O ATOM 360 CG2 THR A 25 -6.862 16.391 -0.929 1.00 0.00 C ATOM 0 H THR A 25 -5.044 16.323 -4.751 1.00 0.00 H new ATOM 0 HA THR A 25 -5.903 14.609 -2.487 1.00 0.00 H new ATOM 0 HB THR A 25 -6.931 17.399 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.098 18.166 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.976 17.304 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.838 15.928 -1.072 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.207 15.700 -0.398 1.00 0.00 H new ATOM 368 N SER A 26 -8.511 15.472 -3.391 1.00 0.00 N ATOM 369 CA SER A 26 -9.806 15.349 -4.076 1.00 0.00 C ATOM 370 C SER A 26 -10.200 13.886 -4.311 1.00 0.00 C ATOM 371 O SER A 26 -11.184 13.600 -4.997 1.00 0.00 O ATOM 372 CB SER A 26 -9.791 16.121 -5.396 1.00 0.00 C ATOM 373 OG SER A 26 -9.462 17.482 -5.172 1.00 0.00 O ATOM 0 H SER A 26 -8.588 15.786 -2.424 1.00 0.00 H new ATOM 0 HA SER A 26 -10.560 15.784 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.068 15.673 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.767 16.051 -5.876 1.00 0.00 H new ATOM 0 HG SER A 26 -9.455 17.962 -6.027 1.00 0.00 H new ATOM 379 N ALA A 27 -9.441 12.966 -3.735 1.00 0.00 N ATOM 380 CA ALA A 27 -9.790 11.557 -3.790 1.00 0.00 C ATOM 381 C ALA A 27 -10.436 11.133 -2.480 1.00 0.00 C ATOM 382 O ALA A 27 -9.756 10.720 -1.541 1.00 0.00 O ATOM 383 CB ALA A 27 -8.565 10.708 -4.088 1.00 0.00 C ATOM 0 H ALA A 27 -8.581 13.170 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.505 11.404 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.851 9.657 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.143 11.003 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.821 10.855 -3.305 1.00 0.00 H new ATOM 389 N SER A 28 -11.748 11.269 -2.414 1.00 0.00 N ATOM 390 CA SER A 28 -12.480 10.984 -1.196 1.00 0.00 C ATOM 391 C SER A 28 -13.545 9.920 -1.441 1.00 0.00 C ATOM 392 O SER A 28 -13.595 8.908 -0.741 1.00 0.00 O ATOM 393 CB SER A 28 -13.130 12.267 -0.683 1.00 0.00 C ATOM 394 OG SER A 28 -12.188 13.331 -0.636 1.00 0.00 O ATOM 0 H SER A 28 -12.329 11.576 -3.194 1.00 0.00 H new ATOM 0 HA SER A 28 -11.784 10.603 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.962 12.542 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.543 12.098 0.312 1.00 0.00 H new ATOM 0 HG SER A 28 -12.627 14.143 -0.306 1.00 0.00 H new ATOM 400 N VAL A 29 -14.379 10.133 -2.457 1.00 0.00 N ATOM 401 CA VAL A 29 -15.458 9.191 -2.749 1.00 0.00 C ATOM 402 C VAL A 29 -15.247 8.509 -4.109 1.00 0.00 C ATOM 403 O VAL A 29 -15.241 7.281 -4.175 1.00 0.00 O ATOM 404 CB VAL A 29 -16.869 9.829 -2.668 1.00 0.00 C ATOM 405 CG1 VAL A 29 -17.949 8.764 -2.792 1.00 0.00 C ATOM 406 CG2 VAL A 29 -17.035 10.603 -1.368 1.00 0.00 C ATOM 0 H VAL A 29 -14.331 10.937 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.415 8.434 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.974 10.525 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.931 9.233 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.848 8.253 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.842 8.042 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -18.032 11.043 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -16.905 9.927 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.287 11.394 -1.318 1.00 0.00 H new ATOM 416 N PRO A 30 -15.052 9.261 -5.214 1.00 0.00 N ATOM 417 CA PRO A 30 -14.668 8.681 -6.488 1.00 0.00 C ATOM 418 C PRO A 30 -13.149 8.666 -6.626 1.00 0.00 C ATOM 419 O PRO A 30 -12.549 9.605 -7.150 1.00 0.00 O ATOM 420 CB PRO A 30 -15.305 9.621 -7.522 1.00 0.00 C ATOM 421 CG PRO A 30 -15.685 10.868 -6.772 1.00 0.00 C ATOM 422 CD PRO A 30 -15.190 10.712 -5.357 1.00 0.00 C ATOM 0 HA PRO A 30 -14.994 7.648 -6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.605 9.848 -8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.180 9.160 -7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.241 11.747 -7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.766 11.011 -6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.241 11.225 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.895 11.123 -4.635 1.00 0.00 H new ATOM 430 N HIS A 31 -12.528 7.617 -6.115 1.00 0.00 N ATOM 431 CA HIS A 31 -11.075 7.558 -6.046 1.00 0.00 C ATOM 432 C HIS A 31 -10.554 6.216 -6.552 1.00 0.00 C ATOM 433 O HIS A 31 -10.534 5.226 -5.830 1.00 0.00 O ATOM 434 CB HIS A 31 -10.582 7.849 -4.611 1.00 0.00 C ATOM 435 CG HIS A 31 -11.197 7.001 -3.529 1.00 0.00 C ATOM 436 ND1 HIS A 31 -10.482 6.089 -2.791 1.00 0.00 N ATOM 437 CD2 HIS A 31 -12.461 6.946 -3.052 1.00 0.00 C ATOM 438 CE1 HIS A 31 -11.275 5.504 -1.917 1.00 0.00 C ATOM 439 NE2 HIS A 31 -12.484 6.005 -2.053 1.00 0.00 N ATOM 0 H HIS A 31 -13.004 6.796 -5.742 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.673 8.332 -6.700 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.501 7.715 -4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.779 8.897 -4.383 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -9.487 5.894 -2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.299 7.535 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.983 4.743 -1.209 1.00 0.00 H new ATOM 448 N SER A 32 -10.159 6.190 -7.820 1.00 0.00 N ATOM 449 CA SER A 32 -9.619 4.982 -8.433 1.00 0.00 C ATOM 450 C SER A 32 -8.116 4.872 -8.182 1.00 0.00 C ATOM 451 O SER A 32 -7.520 3.808 -8.357 1.00 0.00 O ATOM 452 CB SER A 32 -9.898 5.005 -9.938 1.00 0.00 C ATOM 453 OG SER A 32 -11.242 5.371 -10.201 1.00 0.00 O ATOM 0 H SER A 32 -10.203 6.995 -8.445 1.00 0.00 H new ATOM 0 HA SER A 32 -10.104 4.115 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.224 5.709 -10.426 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.695 4.022 -10.364 1.00 0.00 H new ATOM 0 HG SER A 32 -11.395 5.380 -11.169 1.00 0.00 H new ATOM 459 N MET A 33 -7.520 5.982 -7.756 1.00 0.00 N ATOM 460 CA MET A 33 -6.080 6.059 -7.528 1.00 0.00 C ATOM 461 C MET A 33 -5.646 5.063 -6.455 1.00 0.00 C ATOM 462 O MET A 33 -4.908 4.114 -6.727 1.00 0.00 O ATOM 463 CB MET A 33 -5.700 7.486 -7.108 1.00 0.00 C ATOM 464 CG MET A 33 -4.204 7.723 -6.910 1.00 0.00 C ATOM 465 SD MET A 33 -3.268 7.760 -8.458 1.00 0.00 S ATOM 466 CE MET A 33 -3.020 6.016 -8.777 1.00 0.00 C ATOM 0 H MET A 33 -8.019 6.850 -7.560 1.00 0.00 H new ATOM 0 HA MET A 33 -5.566 5.805 -8.455 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.066 8.181 -7.864 1.00 0.00 H new ATOM 0 HB3 MET A 33 -6.217 7.725 -6.179 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.060 8.667 -6.385 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.801 6.938 -6.270 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.012 5.856 -9.158 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.152 5.455 -7.852 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.746 5.674 -9.515 1.00 0.00 H new ATOM 476 N ASP A 34 -6.133 5.268 -5.245 1.00 0.00 N ATOM 477 CA ASP A 34 -5.769 4.427 -4.114 1.00 0.00 C ATOM 478 C ASP A 34 -6.551 3.118 -4.128 1.00 0.00 C ATOM 479 O ASP A 34 -6.082 2.104 -3.613 1.00 0.00 O ATOM 480 CB ASP A 34 -6.030 5.175 -2.810 1.00 0.00 C ATOM 481 CG ASP A 34 -7.480 5.571 -2.678 1.00 0.00 C ATOM 482 OD1 ASP A 34 -7.960 6.356 -3.526 1.00 0.00 O ATOM 483 OD2 ASP A 34 -8.155 5.087 -1.754 1.00 0.00 O ATOM 0 H ASP A 34 -6.788 6.016 -5.017 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.708 4.189 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.746 4.547 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.404 6.066 -2.769 1.00 0.00 H new ATOM 488 N GLU A 35 -7.737 3.134 -4.722 1.00 0.00 N ATOM 489 CA GLU A 35 -8.552 1.932 -4.795 1.00 0.00 C ATOM 490 C GLU A 35 -7.846 0.874 -5.630 1.00 0.00 C ATOM 491 O GLU A 35 -7.243 -0.048 -5.090 1.00 0.00 O ATOM 492 CB GLU A 35 -9.935 2.248 -5.382 1.00 0.00 C ATOM 493 CG GLU A 35 -10.999 1.173 -5.140 1.00 0.00 C ATOM 494 CD GLU A 35 -10.729 -0.133 -5.868 1.00 0.00 C ATOM 495 OE1 GLU A 35 -10.718 -0.138 -7.115 1.00 0.00 O ATOM 496 OE2 GLU A 35 -10.523 -1.160 -5.187 1.00 0.00 O ATOM 0 H GLU A 35 -8.152 3.959 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.694 1.546 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.287 3.189 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.831 2.401 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.065 0.975 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.969 1.559 -5.453 1.00 0.00 H new ATOM 503 N SER A 36 -7.889 1.032 -6.939 1.00 0.00 N ATOM 504 CA SER A 36 -7.402 0.008 -7.845 1.00 0.00 C ATOM 505 C SER A 36 -5.878 -0.091 -7.811 1.00 0.00 C ATOM 506 O SER A 36 -5.318 -1.175 -7.639 1.00 0.00 O ATOM 507 CB SER A 36 -7.895 0.318 -9.256 1.00 0.00 C ATOM 508 OG SER A 36 -9.294 0.572 -9.252 1.00 0.00 O ATOM 0 H SER A 36 -8.258 1.863 -7.401 1.00 0.00 H new ATOM 0 HA SER A 36 -7.791 -0.959 -7.526 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.364 1.184 -9.651 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.674 -0.520 -9.917 1.00 0.00 H new ATOM 0 HG SER A 36 -9.716 0.069 -8.524 1.00 0.00 H new ATOM 514 N THR A 37 -5.211 1.045 -7.942 1.00 0.00 N ATOM 515 CA THR A 37 -3.763 1.062 -8.057 1.00 0.00 C ATOM 516 C THR A 37 -3.081 0.752 -6.721 1.00 0.00 C ATOM 517 O THR A 37 -2.285 -0.185 -6.629 1.00 0.00 O ATOM 518 CB THR A 37 -3.272 2.421 -8.590 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.033 2.784 -9.751 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.795 2.364 -8.948 1.00 0.00 C ATOM 0 H THR A 37 -5.649 1.966 -7.971 1.00 0.00 H new ATOM 0 HA THR A 37 -3.491 0.280 -8.766 1.00 0.00 H new ATOM 0 HB THR A 37 -3.409 3.168 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.660 3.600 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.473 3.336 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.215 2.106 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.636 1.609 -9.718 1.00 0.00 H new ATOM 528 N ALA A 38 -3.412 1.515 -5.682 1.00 0.00 N ATOM 529 CA ALA A 38 -2.741 1.364 -4.395 1.00 0.00 C ATOM 530 C ALA A 38 -3.077 0.034 -3.727 1.00 0.00 C ATOM 531 O ALA A 38 -2.208 -0.582 -3.110 1.00 0.00 O ATOM 532 CB ALA A 38 -3.061 2.525 -3.469 1.00 0.00 C ATOM 0 H ALA A 38 -4.133 2.236 -5.705 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.669 1.369 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.547 2.384 -2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.730 3.457 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.137 2.568 -3.297 1.00 0.00 H new ATOM 538 N LYS A 39 -4.323 -0.425 -3.854 1.00 0.00 N ATOM 539 CA LYS A 39 -4.691 -1.715 -3.280 1.00 0.00 C ATOM 540 C LYS A 39 -3.970 -2.831 -4.020 1.00 0.00 C ATOM 541 O LYS A 39 -3.580 -3.829 -3.419 1.00 0.00 O ATOM 542 CB LYS A 39 -6.201 -1.940 -3.331 1.00 0.00 C ATOM 543 CG LYS A 39 -6.662 -3.191 -2.605 1.00 0.00 C ATOM 544 CD LYS A 39 -8.158 -3.446 -2.770 1.00 0.00 C ATOM 545 CE LYS A 39 -9.010 -2.348 -2.145 1.00 0.00 C ATOM 546 NZ LYS A 39 -9.111 -1.141 -3.011 1.00 0.00 N ATOM 0 H LYS A 39 -5.076 0.065 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.390 -1.718 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.702 -1.075 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.514 -2.000 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.107 -4.050 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.427 -3.099 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.395 -3.525 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.413 -4.403 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.010 -2.736 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.584 -2.066 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.055 -0.286 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.330 -1.140 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.019 -1.153 -3.519 1.00 0.00 H new ATOM 560 N GLY A 40 -3.786 -2.646 -5.325 1.00 0.00 N ATOM 561 CA GLY A 40 -3.029 -3.601 -6.109 1.00 0.00 C ATOM 562 C GLY A 40 -1.603 -3.719 -5.613 1.00 0.00 C ATOM 563 O GLY A 40 -1.063 -4.821 -5.510 1.00 0.00 O ATOM 0 H GLY A 40 -4.149 -1.851 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.513 -4.576 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.027 -3.295 -7.155 1.00 0.00 H new ATOM 567 N ILE A 41 -1.001 -2.575 -5.294 1.00 0.00 N ATOM 568 CA ILE A 41 0.345 -2.534 -4.733 1.00 0.00 C ATOM 569 C ILE A 41 0.371 -3.175 -3.345 1.00 0.00 C ATOM 570 O ILE A 41 1.224 -4.012 -3.051 1.00 0.00 O ATOM 571 CB ILE A 41 0.860 -1.078 -4.630 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.863 -0.415 -6.011 1.00 0.00 C ATOM 573 CG2 ILE A 41 2.252 -1.041 -4.015 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.288 1.040 -5.991 1.00 0.00 C ATOM 0 H ILE A 41 -1.430 -1.658 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 41 0.996 -3.095 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 41 0.187 -0.520 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.532 -0.970 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.137 -0.486 -6.440 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.595 -0.008 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.220 -1.474 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.940 -1.614 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.265 1.440 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.605 1.610 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.300 1.118 -5.593 1.00 0.00 H new ATOM 586 N LEU A 42 -0.582 -2.783 -2.510 1.00 0.00 N ATOM 587 CA LEU A 42 -0.689 -3.288 -1.147 1.00 0.00 C ATOM 588 C LEU A 42 -0.866 -4.808 -1.140 1.00 0.00 C ATOM 589 O LEU A 42 -0.225 -5.524 -0.367 1.00 0.00 O ATOM 590 CB LEU A 42 -1.875 -2.615 -0.447 1.00 0.00 C ATOM 591 CG LEU A 42 -1.996 -2.883 1.052 1.00 0.00 C ATOM 592 CD1 LEU A 42 -0.803 -2.308 1.795 1.00 0.00 C ATOM 593 CD2 LEU A 42 -3.291 -2.297 1.591 1.00 0.00 C ATOM 0 H LEU A 42 -1.303 -2.106 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 42 0.232 -3.054 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.801 -1.538 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.794 -2.944 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.011 -3.961 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.907 -2.509 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.113 -2.770 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.757 -1.231 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.363 -2.496 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.302 -1.220 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.138 -2.754 1.079 1.00 0.00 H new ATOM 605 N LYS A 43 -1.736 -5.288 -2.018 1.00 0.00 N ATOM 606 CA LYS A 43 -2.017 -6.713 -2.134 1.00 0.00 C ATOM 607 C LYS A 43 -0.818 -7.453 -2.726 1.00 0.00 C ATOM 608 O LYS A 43 -0.568 -8.613 -2.399 1.00 0.00 O ATOM 609 CB LYS A 43 -3.262 -6.919 -3.000 1.00 0.00 C ATOM 610 CG LYS A 43 -3.796 -8.341 -3.000 1.00 0.00 C ATOM 611 CD LYS A 43 -5.063 -8.446 -3.827 1.00 0.00 C ATOM 612 CE LYS A 43 -5.675 -9.833 -3.748 1.00 0.00 C ATOM 613 NZ LYS A 43 -4.783 -10.875 -4.322 1.00 0.00 N ATOM 0 H LYS A 43 -2.264 -4.705 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.203 -7.121 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.048 -6.249 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.029 -6.631 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.040 -9.017 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.998 -8.657 -1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.787 -7.709 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.839 -8.206 -4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.890 -10.075 -2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.627 -9.839 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.275 -11.791 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.529 -10.616 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.919 -10.948 -3.747 1.00 0.00 H new ATOM 627 N TYR A 44 -0.069 -6.763 -3.580 1.00 0.00 N ATOM 628 CA TYR A 44 1.123 -7.331 -4.195 1.00 0.00 C ATOM 629 C TYR A 44 2.199 -7.566 -3.138 1.00 0.00 C ATOM 630 O TYR A 44 2.802 -8.635 -3.086 1.00 0.00 O ATOM 631 CB TYR A 44 1.645 -6.401 -5.298 1.00 0.00 C ATOM 632 CG TYR A 44 2.896 -6.895 -5.994 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.895 -8.083 -6.718 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.073 -6.162 -5.944 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.034 -8.524 -7.366 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.215 -6.596 -6.588 1.00 0.00 C ATOM 637 CZ TYR A 44 5.190 -7.777 -7.299 1.00 0.00 C ATOM 638 OH TYR A 44 6.327 -8.210 -7.944 1.00 0.00 O ATOM 0 H TYR A 44 -0.269 -5.804 -3.863 1.00 0.00 H new ATOM 0 HA TYR A 44 0.865 -8.289 -4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.860 -6.264 -6.042 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.848 -5.422 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.990 -8.670 -6.775 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.097 -5.235 -5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.018 -9.450 -7.922 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.123 -6.013 -6.535 1.00 0.00 H new ATOM 0 HH TYR A 44 6.194 -8.155 -8.913 1.00 0.00 H new ATOM 648 N LEU A 45 2.412 -6.567 -2.287 1.00 0.00 N ATOM 649 CA LEU A 45 3.390 -6.671 -1.209 1.00 0.00 C ATOM 650 C LEU A 45 3.009 -7.795 -0.250 1.00 0.00 C ATOM 651 O LEU A 45 3.864 -8.570 0.188 1.00 0.00 O ATOM 652 CB LEU A 45 3.490 -5.344 -0.451 1.00 0.00 C ATOM 653 CG LEU A 45 3.935 -4.146 -1.292 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.943 -2.882 -0.448 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.311 -4.394 -1.894 1.00 0.00 C ATOM 0 H LEU A 45 1.919 -5.675 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 45 4.362 -6.900 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.517 -5.119 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.190 -5.468 0.375 1.00 0.00 H new ATOM 0 HG LEU A 45 3.224 -4.015 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.262 -2.038 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.940 -2.694 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.633 -3.006 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.609 -3.530 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.035 -4.552 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.276 -5.278 -2.531 1.00 0.00 H new ATOM 667 N HIS A 46 1.715 -7.881 0.059 1.00 0.00 N ATOM 668 CA HIS A 46 1.179 -8.949 0.891 1.00 0.00 C ATOM 669 C HIS A 46 1.638 -10.318 0.395 1.00 0.00 C ATOM 670 O HIS A 46 2.166 -11.124 1.162 1.00 0.00 O ATOM 671 CB HIS A 46 -0.350 -8.895 0.881 1.00 0.00 C ATOM 672 CG HIS A 46 -0.994 -10.046 1.585 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.581 -11.099 0.924 1.00 0.00 N ATOM 674 CD2 HIS A 46 -1.130 -10.305 2.901 1.00 0.00 C ATOM 675 CE1 HIS A 46 -2.056 -11.957 1.803 1.00 0.00 C ATOM 676 NE2 HIS A 46 -1.793 -11.502 3.015 1.00 0.00 N ATOM 0 H HIS A 46 1.014 -7.213 -0.261 1.00 0.00 H new ATOM 0 HA HIS A 46 1.551 -8.805 1.906 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.675 -7.966 1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.698 -8.871 -0.152 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -1.639 -11.200 -0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.782 -9.686 3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.573 -12.877 1.572 1.00 0.00 H new ATOM 685 N ASP A 47 1.437 -10.565 -0.892 1.00 0.00 N ATOM 686 CA ASP A 47 1.730 -11.869 -1.473 1.00 0.00 C ATOM 687 C ASP A 47 3.212 -12.014 -1.800 1.00 0.00 C ATOM 688 O ASP A 47 3.657 -13.068 -2.256 1.00 0.00 O ATOM 689 CB ASP A 47 0.863 -12.111 -2.712 1.00 0.00 C ATOM 690 CG ASP A 47 -0.567 -12.486 -2.352 1.00 0.00 C ATOM 691 OD1 ASP A 47 -1.260 -11.677 -1.695 1.00 0.00 O ATOM 692 OD2 ASP A 47 -1.001 -13.602 -2.710 1.00 0.00 O ATOM 0 H ASP A 47 1.072 -9.880 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 47 1.487 -12.630 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.856 -11.213 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.305 -12.907 -3.312 1.00 0.00 H new ATOM 697 N LEU A 48 3.977 -10.956 -1.569 1.00 0.00 N ATOM 698 CA LEU A 48 5.428 -11.053 -1.617 1.00 0.00 C ATOM 699 C LEU A 48 5.951 -11.531 -0.273 1.00 0.00 C ATOM 700 O LEU A 48 7.058 -12.064 -0.171 1.00 0.00 O ATOM 701 CB LEU A 48 6.067 -9.707 -1.961 1.00 0.00 C ATOM 702 CG LEU A 48 5.825 -9.203 -3.383 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.546 -7.884 -3.607 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.277 -10.238 -4.402 1.00 0.00 C ATOM 0 H LEU A 48 3.619 -10.027 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 48 5.693 -11.766 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.694 -8.959 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.142 -9.785 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 48 4.755 -9.039 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.364 -7.538 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.175 -7.142 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.617 -8.025 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.096 -9.861 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.341 -10.434 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.717 -11.162 -4.255 1.00 0.00 H new ATOM 716 N GLY A 49 5.141 -11.335 0.760 1.00 0.00 N ATOM 717 CA GLY A 49 5.515 -11.759 2.091 1.00 0.00 C ATOM 718 C GLY A 49 5.588 -10.607 3.073 1.00 0.00 C ATOM 719 O GLY A 49 5.901 -10.809 4.247 1.00 0.00 O ATOM 0 H GLY A 49 4.227 -10.887 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.793 -12.492 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.483 -12.258 2.050 1.00 0.00 H new ATOM 723 N VAL A 50 5.290 -9.400 2.607 1.00 0.00 N ATOM 724 CA VAL A 50 5.366 -8.221 3.461 1.00 0.00 C ATOM 725 C VAL A 50 4.013 -7.513 3.544 1.00 0.00 C ATOM 726 O VAL A 50 3.639 -6.767 2.642 1.00 0.00 O ATOM 727 CB VAL A 50 6.429 -7.220 2.955 1.00 0.00 C ATOM 728 CG1 VAL A 50 6.567 -6.046 3.918 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.770 -7.913 2.751 1.00 0.00 C ATOM 0 H VAL A 50 4.995 -9.212 1.649 1.00 0.00 H new ATOM 0 HA VAL A 50 5.653 -8.570 4.453 1.00 0.00 H new ATOM 0 HB VAL A 50 6.099 -6.832 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.321 -5.354 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.610 -5.530 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.869 -6.413 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.503 -7.189 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.108 -8.337 3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.660 -8.710 2.015 1.00 0.00 H new ATOM 739 N PRO A 51 3.246 -7.767 4.610 1.00 0.00 N ATOM 740 CA PRO A 51 1.994 -7.067 4.870 1.00 0.00 C ATOM 741 C PRO A 51 2.228 -5.723 5.559 1.00 0.00 C ATOM 742 O PRO A 51 3.266 -5.510 6.190 1.00 0.00 O ATOM 743 CB PRO A 51 1.228 -8.024 5.799 1.00 0.00 C ATOM 744 CG PRO A 51 2.135 -9.195 6.043 1.00 0.00 C ATOM 745 CD PRO A 51 3.519 -8.760 5.645 1.00 0.00 C ATOM 0 HA PRO A 51 1.455 -6.833 3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.969 -7.531 6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.293 -8.346 5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.109 -9.493 7.091 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.818 -10.059 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.068 -8.333 6.484 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.113 -9.591 5.265 1.00 0.00 H new ATOM 753 N VAL A 52 1.265 -4.818 5.442 1.00 0.00 N ATOM 754 CA VAL A 52 1.389 -3.492 6.035 1.00 0.00 C ATOM 755 C VAL A 52 0.308 -3.272 7.092 1.00 0.00 C ATOM 756 O VAL A 52 -0.846 -3.655 6.898 1.00 0.00 O ATOM 757 CB VAL A 52 1.297 -2.379 4.963 1.00 0.00 C ATOM 758 CG1 VAL A 52 1.465 -1.001 5.588 1.00 0.00 C ATOM 759 CG2 VAL A 52 2.334 -2.595 3.872 1.00 0.00 C ATOM 0 H VAL A 52 0.390 -4.977 4.942 1.00 0.00 H new ATOM 0 HA VAL A 52 2.371 -3.438 6.505 1.00 0.00 H new ATOM 0 HB VAL A 52 0.305 -2.430 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.396 -0.239 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.680 -0.839 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.439 -0.938 6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.251 -1.801 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.332 -2.579 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.163 -3.559 3.393 1.00 0.00 H new ATOM 769 N SER A 53 0.694 -2.672 8.209 1.00 0.00 N ATOM 770 CA SER A 53 -0.231 -2.405 9.301 1.00 0.00 C ATOM 771 C SER A 53 -0.984 -1.090 9.076 1.00 0.00 C ATOM 772 O SER A 53 -0.423 -0.127 8.547 1.00 0.00 O ATOM 773 CB SER A 53 0.536 -2.358 10.622 1.00 0.00 C ATOM 774 OG SER A 53 1.276 -3.553 10.817 1.00 0.00 O ATOM 0 H SER A 53 1.649 -2.359 8.383 1.00 0.00 H new ATOM 0 HA SER A 53 -0.966 -3.209 9.338 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.211 -1.502 10.626 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.161 -2.218 11.448 1.00 0.00 H new ATOM 0 HG SER A 53 1.761 -3.502 11.667 1.00 0.00 H new ATOM 780 N PRO A 54 -2.266 -1.038 9.484 1.00 0.00 N ATOM 781 CA PRO A 54 -3.120 0.143 9.298 1.00 0.00 C ATOM 782 C PRO A 54 -2.613 1.364 10.059 1.00 0.00 C ATOM 783 O PRO A 54 -2.767 2.498 9.602 1.00 0.00 O ATOM 784 CB PRO A 54 -4.481 -0.291 9.857 1.00 0.00 C ATOM 785 CG PRO A 54 -4.424 -1.777 9.930 1.00 0.00 C ATOM 786 CD PRO A 54 -2.985 -2.129 10.154 1.00 0.00 C ATOM 0 HA PRO A 54 -3.148 0.446 8.251 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.658 0.144 10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.294 0.040 9.211 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.047 -2.151 10.742 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.796 -2.227 9.009 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.743 -2.179 11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.736 -3.099 9.724 1.00 0.00 H new ATOM 794 N GLU A 55 -2.001 1.113 11.213 1.00 0.00 N ATOM 795 CA GLU A 55 -1.498 2.172 12.086 1.00 0.00 C ATOM 796 C GLU A 55 -0.581 3.116 11.308 1.00 0.00 C ATOM 797 O GLU A 55 -0.667 4.342 11.442 1.00 0.00 O ATOM 798 CB GLU A 55 -0.744 1.536 13.257 1.00 0.00 C ATOM 799 CG GLU A 55 -0.879 2.287 14.573 1.00 0.00 C ATOM 800 CD GLU A 55 -0.252 3.663 14.539 1.00 0.00 C ATOM 801 OE1 GLU A 55 0.992 3.753 14.602 1.00 0.00 O ATOM 802 OE2 GLU A 55 -0.996 4.658 14.454 1.00 0.00 O ATOM 0 H GLU A 55 -1.839 0.171 11.570 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.335 2.756 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.105 0.517 13.395 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.313 1.467 12.999 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.936 2.382 14.823 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.415 1.702 15.367 1.00 0.00 H new ATOM 809 N VAL A 56 0.270 2.530 10.476 1.00 0.00 N ATOM 810 CA VAL A 56 1.199 3.289 9.656 1.00 0.00 C ATOM 811 C VAL A 56 0.447 4.219 8.708 1.00 0.00 C ATOM 812 O VAL A 56 0.748 5.407 8.622 1.00 0.00 O ATOM 813 CB VAL A 56 2.114 2.350 8.837 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.141 3.149 8.051 1.00 0.00 C ATOM 815 CG2 VAL A 56 2.799 1.337 9.744 1.00 0.00 C ATOM 0 H VAL A 56 0.334 1.520 10.352 1.00 0.00 H new ATOM 0 HA VAL A 56 1.817 3.885 10.328 1.00 0.00 H new ATOM 0 HB VAL A 56 1.492 1.805 8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.774 2.468 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.629 3.826 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.757 3.727 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.438 0.687 9.146 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.405 1.861 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.045 0.736 10.253 1.00 0.00 H new ATOM 825 N VAL A 57 -0.554 3.674 8.030 1.00 0.00 N ATOM 826 CA VAL A 57 -1.315 4.427 7.042 1.00 0.00 C ATOM 827 C VAL A 57 -2.074 5.587 7.685 1.00 0.00 C ATOM 828 O VAL A 57 -1.991 6.724 7.218 1.00 0.00 O ATOM 829 CB VAL A 57 -2.320 3.524 6.293 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.032 4.300 5.194 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.626 2.297 5.720 1.00 0.00 C ATOM 0 H VAL A 57 -0.859 2.708 8.147 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.591 4.824 6.330 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.068 3.187 7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.734 3.643 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.573 5.138 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.299 4.675 4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.355 1.677 5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.850 2.611 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.175 1.723 6.529 1.00 0.00 H new ATOM 841 N VAL A 58 -2.794 5.295 8.767 1.00 0.00 N ATOM 842 CA VAL A 58 -3.627 6.296 9.433 1.00 0.00 C ATOM 843 C VAL A 58 -2.815 7.530 9.823 1.00 0.00 C ATOM 844 O VAL A 58 -3.105 8.641 9.377 1.00 0.00 O ATOM 845 CB VAL A 58 -4.304 5.725 10.698 1.00 0.00 C ATOM 846 CG1 VAL A 58 -5.155 6.785 11.382 1.00 0.00 C ATOM 847 CG2 VAL A 58 -5.150 4.510 10.358 1.00 0.00 C ATOM 0 H VAL A 58 -2.817 4.373 9.202 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.396 6.582 8.715 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.518 5.416 11.387 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.622 6.359 12.270 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.525 7.627 11.671 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.928 7.129 10.695 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.616 4.126 11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.924 4.793 9.644 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.518 3.738 9.920 1.00 0.00 H new ATOM 857 N ALA A 59 -1.788 7.328 10.636 1.00 0.00 N ATOM 858 CA ALA A 59 -0.999 8.439 11.148 1.00 0.00 C ATOM 859 C ALA A 59 -0.195 9.112 10.041 1.00 0.00 C ATOM 860 O ALA A 59 0.065 10.312 10.096 1.00 0.00 O ATOM 861 CB ALA A 59 -0.081 7.961 12.258 1.00 0.00 C ATOM 0 H ALA A 59 -1.482 6.408 10.954 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.687 9.182 11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.504 8.801 12.633 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.678 7.543 13.069 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.591 7.195 11.870 1.00 0.00 H new ATOM 867 N ARG A 60 0.195 8.348 9.028 1.00 0.00 N ATOM 868 CA ARG A 60 0.936 8.909 7.907 1.00 0.00 C ATOM 869 C ARG A 60 0.042 9.850 7.105 1.00 0.00 C ATOM 870 O ARG A 60 0.439 10.970 6.784 1.00 0.00 O ATOM 871 CB ARG A 60 1.490 7.799 7.008 1.00 0.00 C ATOM 872 CG ARG A 60 2.275 8.310 5.809 1.00 0.00 C ATOM 873 CD ARG A 60 3.422 9.217 6.229 1.00 0.00 C ATOM 874 NE ARG A 60 4.391 8.532 7.076 1.00 0.00 N ATOM 875 CZ ARG A 60 5.500 9.102 7.550 1.00 0.00 C ATOM 876 NH1 ARG A 60 5.766 10.375 7.289 1.00 0.00 N ATOM 877 NH2 ARG A 60 6.336 8.398 8.295 1.00 0.00 N ATOM 0 H ARG A 60 0.012 7.347 8.960 1.00 0.00 H new ATOM 0 HA ARG A 60 1.779 9.476 8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.135 7.151 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.662 7.185 6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.668 7.464 5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.606 8.855 5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.925 9.597 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.023 10.080 6.763 1.00 0.00 H new ATOM 0 HE ARG A 60 4.210 7.558 7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.120 10.925 6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.616 10.804 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.132 7.421 8.506 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.185 8.832 8.658 1.00 0.00 H new ATOM 891 N GLY A 61 -1.172 9.396 6.808 1.00 0.00 N ATOM 892 CA GLY A 61 -2.118 10.223 6.085 1.00 0.00 C ATOM 893 C GLY A 61 -2.506 11.457 6.869 1.00 0.00 C ATOM 894 O GLY A 61 -2.719 12.531 6.299 1.00 0.00 O ATOM 0 H GLY A 61 -1.517 8.469 7.056 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.684 10.521 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.011 9.640 5.860 1.00 0.00 H new ATOM 898 N GLU A 62 -2.577 11.295 8.186 1.00 0.00 N ATOM 899 CA GLU A 62 -2.903 12.389 9.092 1.00 0.00 C ATOM 900 C GLU A 62 -1.766 13.413 9.137 1.00 0.00 C ATOM 901 O GLU A 62 -1.994 14.605 9.350 1.00 0.00 O ATOM 902 CB GLU A 62 -3.170 11.830 10.495 1.00 0.00 C ATOM 903 CG GLU A 62 -3.695 12.861 11.480 1.00 0.00 C ATOM 904 CD GLU A 62 -3.964 12.287 12.856 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.013 12.174 13.657 1.00 0.00 O ATOM 906 OE2 GLU A 62 -5.133 11.965 13.154 1.00 0.00 O ATOM 0 H GLU A 62 -2.411 10.404 8.654 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.798 12.893 8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.890 11.015 10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.246 11.404 10.888 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.973 13.673 11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.615 13.294 11.087 1.00 0.00 H new ATOM 913 N GLN A 63 -0.541 12.944 8.928 1.00 0.00 N ATOM 914 CA GLN A 63 0.627 13.813 8.989 1.00 0.00 C ATOM 915 C GLN A 63 0.888 14.496 7.650 1.00 0.00 C ATOM 916 O GLN A 63 1.056 15.715 7.587 1.00 0.00 O ATOM 917 CB GLN A 63 1.862 13.021 9.422 1.00 0.00 C ATOM 918 CG GLN A 63 3.107 13.880 9.589 1.00 0.00 C ATOM 919 CD GLN A 63 4.320 13.086 10.028 1.00 0.00 C ATOM 920 OE1 GLN A 63 4.393 11.829 9.618 1.00 0.00 O flip ATOM 921 NE2 GLN A 63 5.191 13.600 10.728 1.00 0.00 N flip ATOM 0 H GLN A 63 -0.332 11.969 8.715 1.00 0.00 H new ATOM 0 HA GLN A 63 0.422 14.587 9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.649 12.518 10.365 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.063 12.244 8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.328 14.377 8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.907 14.662 10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.100 14.572 11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.005 13.055 11.012 1.00 0.00 H new ATOM 930 N GLU A 64 0.908 13.710 6.584 1.00 0.00 N ATOM 931 CA GLU A 64 1.227 14.233 5.258 1.00 0.00 C ATOM 932 C GLU A 64 0.117 15.144 4.753 1.00 0.00 C ATOM 933 O GLU A 64 0.363 16.056 3.964 1.00 0.00 O ATOM 934 CB GLU A 64 1.451 13.098 4.254 1.00 0.00 C ATOM 935 CG GLU A 64 2.509 12.091 4.672 1.00 0.00 C ATOM 936 CD GLU A 64 3.805 12.736 5.115 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.272 13.678 4.444 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.357 12.305 6.144 1.00 0.00 O ATOM 0 H GLU A 64 0.708 12.710 6.608 1.00 0.00 H new ATOM 0 HA GLU A 64 2.148 14.808 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.508 12.573 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.736 13.529 3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.118 11.480 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.712 11.419 3.838 1.00 0.00 H new ATOM 945 N GLY A 65 -1.102 14.887 5.210 1.00 0.00 N ATOM 946 CA GLY A 65 -2.227 15.705 4.810 1.00 0.00 C ATOM 947 C GLY A 65 -2.934 15.143 3.599 1.00 0.00 C ATOM 948 O GLY A 65 -3.084 15.827 2.588 1.00 0.00 O ATOM 0 H GLY A 65 -1.330 14.127 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.932 15.782 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.881 16.715 4.591 1.00 0.00 H new ATOM 952 N TRP A 66 -3.354 13.889 3.694 1.00 0.00 N ATOM 953 CA TRP A 66 -4.100 13.257 2.616 1.00 0.00 C ATOM 954 C TRP A 66 -5.568 13.671 2.703 1.00 0.00 C ATOM 955 O TRP A 66 -6.026 14.542 1.964 1.00 0.00 O ATOM 956 CB TRP A 66 -3.985 11.728 2.690 1.00 0.00 C ATOM 957 CG TRP A 66 -2.585 11.193 2.566 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.446 11.895 2.300 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.186 9.825 2.713 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.365 11.045 2.267 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.794 9.769 2.521 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.877 8.642 2.991 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.082 8.574 2.597 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.171 7.459 3.069 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.784 7.432 2.871 1.00 0.00 C ATOM 0 H TRP A 66 -3.191 13.291 4.504 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.680 13.584 1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -4.404 11.392 3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.596 11.293 1.899 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.400 12.962 2.139 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.600 11.320 2.083 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.946 8.654 3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.987 8.550 2.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.695 6.540 3.286 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.259 6.491 2.936 1.00 0.00 H new ATOM 976 N ASN A 67 -6.282 13.033 3.627 1.00 0.00 N ATOM 977 CA ASN A 67 -7.660 13.378 3.971 1.00 0.00 C ATOM 978 C ASN A 67 -8.177 12.360 4.983 1.00 0.00 C ATOM 979 O ASN A 67 -7.604 11.279 5.115 1.00 0.00 O ATOM 980 CB ASN A 67 -8.589 13.442 2.736 1.00 0.00 C ATOM 981 CG ASN A 67 -8.733 12.136 1.971 1.00 0.00 C ATOM 982 OD1 ASN A 67 -8.632 11.046 2.527 1.00 0.00 O ATOM 983 ND2 ASN A 67 -9.004 12.249 0.681 1.00 0.00 N ATOM 0 H ASN A 67 -5.914 12.249 4.167 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.664 14.379 4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.578 13.766 3.060 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.211 14.205 2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.137 11.413 0.113 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.080 13.173 0.255 1.00 0.00 H new ATOM 990 N PRO A 68 -9.243 12.680 5.725 1.00 0.00 N ATOM 991 CA PRO A 68 -9.809 11.756 6.713 1.00 0.00 C ATOM 992 C PRO A 68 -10.701 10.686 6.085 1.00 0.00 C ATOM 993 O PRO A 68 -11.367 9.927 6.790 1.00 0.00 O ATOM 994 CB PRO A 68 -10.634 12.682 7.606 1.00 0.00 C ATOM 995 CG PRO A 68 -11.070 13.785 6.703 1.00 0.00 C ATOM 996 CD PRO A 68 -9.966 13.964 5.690 1.00 0.00 C ATOM 0 HA PRO A 68 -9.036 11.194 7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.489 12.160 8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.041 13.062 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.011 13.537 6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.236 14.705 7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.364 14.171 4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.314 14.797 5.952 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.705 10.616 4.759 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.605 9.718 4.055 1.00 0.00 C ATOM 1006 C GLU A 69 -10.878 8.513 3.451 1.00 0.00 C ATOM 1007 O GLU A 69 -11.037 7.393 3.942 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.388 10.496 2.995 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.268 11.580 3.604 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.086 12.332 2.580 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -15.026 11.733 2.013 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -13.807 13.530 2.351 1.00 0.00 O ATOM 0 H GLU A 69 -10.097 11.169 4.154 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.307 9.309 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.690 10.951 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.009 9.805 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.939 11.126 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.639 12.286 4.146 1.00 0.00 H new ATOM 1019 N PHE A 70 -10.060 8.722 2.418 1.00 0.00 N ATOM 1020 CA PHE A 70 -9.437 7.592 1.730 1.00 0.00 C ATOM 1021 C PHE A 70 -8.362 6.955 2.606 1.00 0.00 C ATOM 1022 O PHE A 70 -8.118 5.753 2.518 1.00 0.00 O ATOM 1023 CB PHE A 70 -8.886 7.994 0.343 1.00 0.00 C ATOM 1024 CG PHE A 70 -7.418 8.347 0.285 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.453 7.355 0.165 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -7.006 9.667 0.322 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.113 7.676 0.083 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -5.665 9.994 0.245 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.717 8.997 0.125 1.00 0.00 C ATOM 0 H PHE A 70 -9.818 9.641 2.047 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.209 6.844 1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.068 7.172 -0.349 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.458 8.848 -0.019 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.755 6.319 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.742 10.453 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.375 6.894 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.359 11.029 0.279 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.669 9.251 0.064 1.00 0.00 H new ATOM 1039 N THR A 71 -7.745 7.755 3.469 1.00 0.00 N ATOM 1040 CA THR A 71 -6.770 7.236 4.423 1.00 0.00 C ATOM 1041 C THR A 71 -7.422 6.190 5.328 1.00 0.00 C ATOM 1042 O THR A 71 -6.825 5.165 5.658 1.00 0.00 O ATOM 1043 CB THR A 71 -6.192 8.370 5.292 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.809 9.469 4.459 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.988 7.892 6.088 1.00 0.00 C ATOM 0 H THR A 71 -7.901 8.761 3.528 1.00 0.00 H new ATOM 0 HA THR A 71 -5.959 6.777 3.857 1.00 0.00 H new ATOM 0 HB THR A 71 -6.963 8.688 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.261 10.284 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.602 8.713 6.692 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.286 7.071 6.740 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.212 7.548 5.404 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.671 6.456 5.694 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.441 5.556 6.534 1.00 0.00 C ATOM 1055 C LYS A 72 -9.769 4.279 5.763 1.00 0.00 C ATOM 1056 O LYS A 72 -9.787 3.180 6.325 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.728 6.256 6.982 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.532 5.499 8.024 1.00 0.00 C ATOM 1059 CD LYS A 72 -12.855 6.195 8.320 1.00 0.00 C ATOM 1060 CE LYS A 72 -12.656 7.620 8.822 1.00 0.00 C ATOM 1061 NZ LYS A 72 -12.084 7.663 10.196 1.00 0.00 N ATOM 0 H LYS A 72 -9.174 7.299 5.416 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.857 5.288 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.472 7.237 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.358 6.423 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.723 4.485 7.672 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.951 5.413 8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.465 6.212 7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.406 5.622 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.995 8.154 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.613 8.142 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.967 8.653 10.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.726 7.177 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.158 7.189 10.202 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.014 4.438 4.465 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.301 3.318 3.589 1.00 0.00 C ATOM 1077 C LYS A 73 -9.102 2.385 3.514 1.00 0.00 C ATOM 1078 O LYS A 73 -9.207 1.201 3.831 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.640 3.820 2.186 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.785 4.813 2.136 1.00 0.00 C ATOM 1081 CD LYS A 73 -13.067 4.219 2.686 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.188 5.239 2.665 1.00 0.00 C ATOM 1083 NZ LYS A 73 -15.403 4.749 3.368 1.00 0.00 N ATOM 0 H LYS A 73 -10.018 5.345 3.998 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.154 2.774 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.753 4.285 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.889 2.965 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.521 5.702 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.945 5.133 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.351 3.348 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.904 3.873 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.846 6.162 3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.440 5.479 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.144 5.478 3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.745 3.882 2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.171 4.544 4.361 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.961 2.938 3.116 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.746 2.152 2.930 1.00 0.00 C ATOM 1099 C VAL A 74 -6.341 1.469 4.233 1.00 0.00 C ATOM 1100 O VAL A 74 -5.850 0.342 4.222 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.573 3.024 2.430 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.343 2.173 2.139 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.975 3.821 1.200 1.00 0.00 C ATOM 0 H VAL A 74 -7.852 3.932 2.915 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.967 1.398 2.174 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.319 3.726 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.533 2.812 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.032 1.659 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.583 1.438 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.132 4.427 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.267 3.137 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.814 4.471 1.446 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.562 2.154 5.353 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.281 1.588 6.667 1.00 0.00 C ATOM 1115 C ALA A 75 -7.069 0.298 6.873 1.00 0.00 C ATOM 1116 O ALA A 75 -6.537 -0.692 7.374 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.610 2.592 7.759 1.00 0.00 C ATOM 0 H ALA A 75 -6.935 3.103 5.375 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.218 1.354 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.394 2.153 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.005 3.489 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.666 2.855 7.705 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.334 0.313 6.465 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.161 -0.874 6.566 1.00 0.00 C ATOM 1125 C GLY A 76 -8.691 -1.986 5.644 1.00 0.00 C ATOM 1126 O GLY A 76 -8.732 -3.160 6.008 1.00 0.00 O ATOM 0 H GLY A 76 -8.801 1.127 6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.154 -1.232 7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.192 -0.617 6.325 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.238 -1.614 4.449 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.714 -2.590 3.498 1.00 0.00 C ATOM 1132 C TRP A 77 -6.436 -3.207 4.047 1.00 0.00 C ATOM 1133 O TRP A 77 -6.256 -4.423 4.011 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.435 -1.939 2.134 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.587 -1.148 1.598 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.904 -1.331 1.883 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.526 -0.055 0.670 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.664 -0.393 1.229 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.843 0.395 0.471 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.484 0.595 0.006 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -10.149 1.463 -0.374 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.786 1.648 -0.835 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -9.107 2.078 -1.015 1.00 0.00 C ATOM 0 H TRP A 77 -8.223 -0.649 4.118 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.464 -3.368 3.357 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.567 -1.285 2.224 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.175 -2.717 1.416 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.295 -2.102 2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.677 -0.299 1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.461 0.280 0.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.168 1.791 -0.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.989 2.149 -1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.308 2.911 -1.672 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.567 -2.355 4.578 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.311 -2.796 5.169 1.00 0.00 C ATOM 1156 C ALA A 78 -4.563 -3.724 6.347 1.00 0.00 C ATOM 1157 O ALA A 78 -3.806 -4.662 6.581 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.484 -1.599 5.605 1.00 0.00 C ATOM 0 H ALA A 78 -5.712 -1.346 4.611 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.754 -3.350 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.548 -1.944 6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.269 -0.971 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.041 -1.022 6.343 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.633 -3.454 7.081 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.019 -4.284 8.210 1.00 0.00 C ATOM 1166 C GLU A 79 -6.296 -5.711 7.751 1.00 0.00 C ATOM 1167 O GLU A 79 -5.763 -6.669 8.313 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.254 -3.698 8.887 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.716 -4.485 10.097 1.00 0.00 C ATOM 1170 CD GLU A 79 -8.844 -3.801 10.833 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -10.010 -3.955 10.418 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -8.569 -3.113 11.837 1.00 0.00 O ATOM 0 H GLU A 79 -6.252 -2.661 6.912 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.198 -4.306 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.039 -2.674 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.067 -3.652 8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.041 -5.476 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.876 -4.627 10.777 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.117 -5.836 6.718 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.440 -7.137 6.150 1.00 0.00 C ATOM 1181 C LYS A 80 -6.187 -7.789 5.571 1.00 0.00 C ATOM 1182 O LYS A 80 -5.984 -8.996 5.705 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.503 -6.987 5.063 1.00 0.00 C ATOM 1184 CG LYS A 80 -9.832 -6.455 5.573 1.00 0.00 C ATOM 1185 CD LYS A 80 -10.761 -6.095 4.424 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.143 -5.701 4.918 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.925 -6.874 5.388 1.00 0.00 N ATOM 0 H LYS A 80 -7.573 -5.050 6.255 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.832 -7.775 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.127 -6.317 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.667 -7.956 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.307 -7.204 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.660 -5.576 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.331 -5.272 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.846 -6.944 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.045 -4.982 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.686 -5.202 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.898 -6.578 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.941 -7.601 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.484 -7.265 6.245 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.349 -6.973 4.936 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.084 -7.439 4.372 1.00 0.00 C ATOM 1203 C VAL A 81 -3.164 -7.996 5.457 1.00 0.00 C ATOM 1204 O VAL A 81 -2.649 -9.110 5.334 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.359 -6.305 3.608 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -1.926 -6.688 3.267 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -4.123 -5.952 2.343 1.00 0.00 C ATOM 0 H VAL A 81 -5.525 -5.978 4.798 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.323 -8.239 3.671 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.324 -5.433 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.448 -5.868 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.375 -6.891 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.927 -7.580 2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.603 -5.153 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.188 -6.830 1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.127 -5.619 2.605 1.00 0.00 H new ATOM 1217 N ALA A 82 -2.962 -7.219 6.515 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.110 -7.634 7.624 1.00 0.00 C ATOM 1219 C ALA A 82 -2.663 -8.885 8.290 1.00 0.00 C ATOM 1220 O ALA A 82 -1.910 -9.789 8.659 1.00 0.00 O ATOM 1221 CB ALA A 82 -1.969 -6.506 8.641 1.00 0.00 C ATOM 0 H ALA A 82 -3.378 -6.295 6.629 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.122 -7.867 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.330 -6.833 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.524 -5.635 8.159 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.952 -6.242 9.030 1.00 0.00 H new ATOM 1227 N SER A 83 -3.980 -8.934 8.430 1.00 0.00 N ATOM 1228 CA SER A 83 -4.649 -10.087 9.015 1.00 0.00 C ATOM 1229 C SER A 83 -4.471 -11.316 8.121 1.00 0.00 C ATOM 1230 O SER A 83 -4.238 -12.427 8.607 1.00 0.00 O ATOM 1231 CB SER A 83 -6.136 -9.774 9.207 1.00 0.00 C ATOM 1232 OG SER A 83 -6.783 -10.743 10.015 1.00 0.00 O ATOM 0 H SER A 83 -4.609 -8.184 8.145 1.00 0.00 H new ATOM 0 HA SER A 83 -4.204 -10.305 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.243 -8.790 9.665 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.625 -9.728 8.234 1.00 0.00 H new ATOM 0 HG SER A 83 -7.729 -10.507 10.115 1.00 0.00 H new ATOM 1238 N GLY A 84 -4.557 -11.107 6.815 1.00 0.00 N ATOM 1239 CA GLY A 84 -4.441 -12.203 5.878 1.00 0.00 C ATOM 1240 C GLY A 84 -5.790 -12.623 5.339 1.00 0.00 C ATOM 1241 O GLY A 84 -5.992 -13.778 4.969 1.00 0.00 O ATOM 0 H GLY A 84 -4.706 -10.193 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.795 -11.908 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.965 -13.052 6.368 1.00 0.00 H new ATOM 1245 N ASN A 85 -6.714 -11.674 5.300 1.00 0.00 N ATOM 1246 CA ASN A 85 -8.066 -11.932 4.825 1.00 0.00 C ATOM 1247 C ASN A 85 -8.231 -11.438 3.397 1.00 0.00 C ATOM 1248 O ASN A 85 -7.249 -11.136 2.717 1.00 0.00 O ATOM 1249 CB ASN A 85 -9.092 -11.259 5.742 1.00 0.00 C ATOM 1250 CG ASN A 85 -9.155 -11.900 7.114 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -8.997 -13.113 7.255 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.377 -11.091 8.139 1.00 0.00 N ATOM 0 H ASN A 85 -6.550 -10.711 5.594 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.238 -13.008 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.841 -10.204 5.849 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.077 -11.307 5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.422 -11.468 9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.503 -10.091 7.982 1.00 0.00 H new ATOM 1259 N ARG A 86 -9.469 -11.366 2.939 1.00 0.00 N ATOM 1260 CA ARG A 86 -9.750 -10.943 1.579 1.00 0.00 C ATOM 1261 C ARG A 86 -10.048 -9.455 1.532 1.00 0.00 C ATOM 1262 O ARG A 86 -10.495 -8.867 2.519 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.948 -11.704 1.018 1.00 0.00 C ATOM 1264 CG ARG A 86 -10.852 -13.210 1.157 1.00 0.00 C ATOM 1265 CD ARG A 86 -9.770 -13.812 0.269 1.00 0.00 C ATOM 1266 NE ARG A 86 -8.586 -14.219 1.031 1.00 0.00 N ATOM 1267 CZ ARG A 86 -8.474 -15.395 1.655 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -9.499 -16.244 1.685 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -7.340 -15.723 2.260 1.00 0.00 N ATOM 0 H ARG A 86 -10.296 -11.595 3.490 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.867 -11.156 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.851 -11.361 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.060 -11.455 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.646 -13.463 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.814 -13.657 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.175 -14.676 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.479 -13.085 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.803 -13.568 1.088 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.378 -15.999 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.405 -17.140 2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.551 -15.077 2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.257 -16.621 2.736 1.00 0.00 H new ATOM 1283 N ILE A 87 -9.811 -8.859 0.378 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.153 -7.465 0.143 1.00 0.00 C ATOM 1285 C ILE A 87 -10.778 -7.318 -1.235 1.00 0.00 C ATOM 1286 O ILE A 87 -10.360 -7.975 -2.190 1.00 0.00 O ATOM 1287 CB ILE A 87 -8.940 -6.510 0.258 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -7.803 -6.944 -0.666 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -8.452 -6.430 1.693 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -6.602 -6.026 -0.602 1.00 0.00 C ATOM 0 H ILE A 87 -9.378 -9.323 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.859 -7.180 0.923 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.270 -5.519 -0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.494 -7.955 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.170 -6.981 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.599 -5.753 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.254 -6.057 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.152 -7.422 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.830 -6.389 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.898 -5.019 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.211 -6.008 0.415 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.790 -6.474 -1.330 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.506 -6.291 -2.581 1.00 0.00 C ATOM 1304 C LEU A 88 -11.877 -5.156 -3.380 1.00 0.00 C ATOM 1305 O LEU A 88 -11.803 -4.019 -2.912 1.00 0.00 O ATOM 1306 CB LEU A 88 -13.994 -6.010 -2.294 1.00 0.00 C ATOM 1307 CG LEU A 88 -14.971 -6.227 -3.466 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -14.848 -5.124 -4.509 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -14.747 -7.592 -4.100 1.00 0.00 C ATOM 0 H LEU A 88 -12.135 -5.905 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.438 -7.202 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.308 -6.645 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.088 -4.977 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.984 -6.189 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.552 -5.310 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.071 -4.161 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.833 -5.110 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.445 -7.729 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.725 -7.656 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.910 -8.370 -3.355 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.390 -5.482 -4.567 1.00 0.00 N ATOM 1322 CA ILE A 89 -10.876 -4.481 -5.485 1.00 0.00 C ATOM 1323 C ILE A 89 -11.797 -4.403 -6.691 1.00 0.00 C ATOM 1324 O ILE A 89 -12.465 -5.384 -7.034 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.426 -4.801 -5.943 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -8.706 -3.525 -6.382 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -9.426 -5.809 -7.086 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -7.258 -3.747 -6.759 1.00 0.00 C ATOM 0 H ILE A 89 -11.340 -6.439 -4.918 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.845 -3.523 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.897 -5.234 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.233 -3.095 -7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.755 -2.794 -5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.399 -6.016 -7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.901 -6.733 -6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.978 -5.400 -7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.811 -2.799 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.716 -4.148 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.202 -4.454 -7.587 1.00 0.00 H new ATOM 1340 N LYS A 90 -11.858 -3.248 -7.315 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.733 -3.058 -8.450 1.00 0.00 C ATOM 1342 C LYS A 90 -11.980 -3.248 -9.760 1.00 0.00 C ATOM 1343 O LYS A 90 -12.553 -3.686 -10.758 1.00 0.00 O ATOM 1344 CB LYS A 90 -13.355 -1.670 -8.378 1.00 0.00 C ATOM 1345 CG LYS A 90 -14.194 -1.468 -7.128 1.00 0.00 C ATOM 1346 CD LYS A 90 -14.617 -0.023 -6.966 1.00 0.00 C ATOM 1347 CE LYS A 90 -15.594 0.134 -5.815 1.00 0.00 C ATOM 1348 NZ LYS A 90 -16.185 1.496 -5.763 1.00 0.00 N ATOM 0 H LYS A 90 -11.312 -2.426 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.524 -3.808 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.564 -0.920 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.977 -1.509 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.079 -2.103 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.625 -1.781 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.739 0.599 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.077 0.330 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.391 -0.603 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.082 -0.074 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.846 1.557 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.428 2.199 -5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.696 1.687 -6.649 1.00 0.00 H new ATOM 1362 N ASN A 91 -10.690 -2.936 -9.747 1.00 0.00 N ATOM 1363 CA ASN A 91 -9.875 -3.022 -10.955 1.00 0.00 C ATOM 1364 C ASN A 91 -8.478 -3.536 -10.632 1.00 0.00 C ATOM 1365 O ASN A 91 -7.583 -2.758 -10.295 1.00 0.00 O ATOM 1366 CB ASN A 91 -9.762 -1.653 -11.630 1.00 0.00 C ATOM 1367 CG ASN A 91 -11.102 -0.978 -11.840 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -11.746 -1.149 -12.874 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -11.538 -0.213 -10.853 1.00 0.00 N ATOM 0 H ASN A 91 -10.186 -2.622 -8.918 1.00 0.00 H new ATOM 0 HA ASN A 91 -10.365 -3.720 -11.633 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.128 -1.007 -11.022 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.267 -1.770 -12.594 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.438 0.260 -10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.974 -0.096 -10.011 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.269 -4.854 -10.718 1.00 0.00 N ATOM 1377 CA PRO A 92 -6.972 -5.464 -10.426 1.00 0.00 C ATOM 1378 C PRO A 92 -5.932 -5.209 -11.517 1.00 0.00 C ATOM 1379 O PRO A 92 -4.729 -5.258 -11.258 1.00 0.00 O ATOM 1380 CB PRO A 92 -7.296 -6.957 -10.339 1.00 0.00 C ATOM 1381 CG PRO A 92 -8.492 -7.135 -11.208 1.00 0.00 C ATOM 1382 CD PRO A 92 -9.284 -5.859 -11.094 1.00 0.00 C ATOM 0 HA PRO A 92 -6.530 -5.050 -9.520 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.460 -7.565 -10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.504 -7.258 -9.312 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.199 -7.321 -12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.084 -7.991 -10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.772 -5.604 -12.035 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.068 -5.939 -10.340 1.00 0.00 H new ATOM 1390 N GLU A 93 -6.389 -4.913 -12.733 1.00 0.00 N ATOM 1391 CA GLU A 93 -5.478 -4.771 -13.866 1.00 0.00 C ATOM 1392 C GLU A 93 -4.898 -3.362 -13.959 1.00 0.00 C ATOM 1393 O GLU A 93 -4.030 -3.100 -14.792 1.00 0.00 O ATOM 1394 CB GLU A 93 -6.154 -5.143 -15.193 1.00 0.00 C ATOM 1395 CG GLU A 93 -7.402 -4.339 -15.519 1.00 0.00 C ATOM 1396 CD GLU A 93 -8.631 -4.871 -14.821 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -9.206 -5.870 -15.307 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -9.021 -4.304 -13.784 1.00 0.00 O ATOM 0 H GLU A 93 -7.374 -4.768 -12.957 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.660 -5.469 -13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.434 -5.013 -16.001 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.416 -6.201 -15.167 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.246 -3.299 -15.231 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.566 -4.350 -16.596 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.364 -2.461 -13.104 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.815 -1.109 -13.069 1.00 0.00 C ATOM 1407 C TYR A 94 -3.417 -1.116 -12.470 1.00 0.00 C ATOM 1408 O TYR A 94 -2.634 -0.186 -12.674 1.00 0.00 O ATOM 1409 CB TYR A 94 -5.731 -0.161 -12.298 1.00 0.00 C ATOM 1410 CG TYR A 94 -6.825 0.437 -13.155 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -7.775 -0.369 -13.765 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -6.902 1.809 -13.356 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -8.777 0.172 -14.546 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -7.900 2.361 -14.137 1.00 0.00 C ATOM 1415 CZ TYR A 94 -8.835 1.537 -14.729 1.00 0.00 C ATOM 1416 OH TYR A 94 -9.830 2.079 -15.511 1.00 0.00 O ATOM 0 H TYR A 94 -6.111 -2.637 -12.433 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.748 -0.745 -14.094 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.184 -0.700 -11.466 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.133 0.643 -11.869 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.730 -1.439 -13.627 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.170 2.455 -12.894 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.511 -0.470 -15.011 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.948 3.430 -14.283 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.731 3.054 -15.538 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.110 -2.176 -11.732 1.00 0.00 N ATOM 1427 CA PHE A 95 -1.754 -2.410 -11.274 1.00 0.00 C ATOM 1428 C PHE A 95 -0.959 -3.018 -12.423 1.00 0.00 C ATOM 1429 O PHE A 95 -0.918 -4.237 -12.598 1.00 0.00 O ATOM 1430 CB PHE A 95 -1.747 -3.330 -10.048 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.377 -3.576 -9.481 1.00 0.00 C ATOM 1432 CD1 PHE A 95 0.405 -2.521 -9.043 1.00 0.00 C ATOM 1433 CD2 PHE A 95 0.120 -4.863 -9.378 1.00 0.00 C ATOM 1434 CE1 PHE A 95 1.662 -2.747 -8.517 1.00 0.00 C ATOM 1435 CE2 PHE A 95 1.375 -5.094 -8.854 1.00 0.00 C ATOM 1436 CZ PHE A 95 2.148 -4.034 -8.423 1.00 0.00 C ATOM 0 H PHE A 95 -3.784 -2.884 -11.440 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.295 -1.469 -10.971 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.377 -2.892 -9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.194 -4.286 -10.320 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.028 -1.511 -9.113 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.481 -5.696 -9.711 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.264 -1.916 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.753 -6.103 -8.781 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.131 -4.213 -8.013 1.00 0.00 H new ATOM 1446 N SER A 96 -0.371 -2.149 -13.232 1.00 0.00 N ATOM 1447 CA SER A 96 0.270 -2.559 -14.466 1.00 0.00 C ATOM 1448 C SER A 96 1.616 -3.219 -14.205 1.00 0.00 C ATOM 1449 O SER A 96 2.203 -3.085 -13.123 1.00 0.00 O ATOM 1450 CB SER A 96 0.430 -1.355 -15.397 1.00 0.00 C ATOM 1451 OG SER A 96 0.878 -1.752 -16.680 1.00 0.00 O ATOM 0 H SER A 96 -0.326 -1.146 -13.050 1.00 0.00 H new ATOM 0 HA SER A 96 -0.367 -3.300 -14.949 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.523 -0.834 -15.488 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.139 -0.650 -14.964 1.00 0.00 H new ATOM 0 HG SER A 96 0.969 -0.963 -17.253 1.00 0.00 H new ATOM 1457 N THR A 97 2.092 -3.924 -15.218 1.00 0.00 N ATOM 1458 CA THR A 97 3.315 -4.696 -15.138 1.00 0.00 C ATOM 1459 C THR A 97 4.524 -3.812 -14.816 1.00 0.00 C ATOM 1460 O THR A 97 5.456 -4.257 -14.152 1.00 0.00 O ATOM 1461 CB THR A 97 3.532 -5.475 -16.458 1.00 0.00 C ATOM 1462 OG1 THR A 97 3.757 -6.861 -16.186 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.693 -4.924 -17.273 1.00 0.00 C ATOM 0 H THR A 97 1.633 -3.975 -16.128 1.00 0.00 H new ATOM 0 HA THR A 97 3.215 -5.408 -14.319 1.00 0.00 H new ATOM 0 HB THR A 97 2.624 -5.354 -17.049 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.891 -7.342 -17.029 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.803 -5.505 -18.189 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.498 -3.882 -17.526 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.611 -4.990 -16.689 1.00 0.00 H new ATOM 1471 N TYR A 98 4.494 -2.561 -15.263 1.00 0.00 N ATOM 1472 CA TYR A 98 5.606 -1.647 -15.013 1.00 0.00 C ATOM 1473 C TYR A 98 5.832 -1.454 -13.514 1.00 0.00 C ATOM 1474 O TYR A 98 6.933 -1.677 -13.020 1.00 0.00 O ATOM 1475 CB TYR A 98 5.383 -0.292 -15.690 1.00 0.00 C ATOM 1476 CG TYR A 98 6.449 0.732 -15.355 1.00 0.00 C ATOM 1477 CD1 TYR A 98 7.742 0.604 -15.846 1.00 0.00 C ATOM 1478 CD2 TYR A 98 6.162 1.826 -14.543 1.00 0.00 C ATOM 1479 CE1 TYR A 98 8.719 1.529 -15.534 1.00 0.00 C ATOM 1480 CE2 TYR A 98 7.134 2.757 -14.231 1.00 0.00 C ATOM 1481 CZ TYR A 98 8.410 2.603 -14.729 1.00 0.00 C ATOM 1482 OH TYR A 98 9.381 3.524 -14.412 1.00 0.00 O ATOM 0 H TYR A 98 3.722 -2.159 -15.794 1.00 0.00 H new ATOM 0 HA TYR A 98 6.498 -2.100 -15.445 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.354 -0.435 -16.770 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.409 0.098 -15.393 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.988 -0.233 -16.483 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.163 1.949 -14.151 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.721 1.411 -15.920 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.895 3.601 -13.600 1.00 0.00 H new ATOM 0 HH TYR A 98 8.998 4.219 -13.837 1.00 0.00 H new ATOM 1492 N MET A 99 4.790 -1.044 -12.793 1.00 0.00 N ATOM 1493 CA MET A 99 4.892 -0.873 -11.346 1.00 0.00 C ATOM 1494 C MET A 99 5.199 -2.201 -10.665 1.00 0.00 C ATOM 1495 O MET A 99 5.954 -2.254 -9.693 1.00 0.00 O ATOM 1496 CB MET A 99 3.604 -0.281 -10.771 1.00 0.00 C ATOM 1497 CG MET A 99 3.379 1.176 -11.135 1.00 0.00 C ATOM 1498 SD MET A 99 1.846 1.837 -10.445 1.00 0.00 S ATOM 1499 CE MET A 99 0.633 0.774 -11.225 1.00 0.00 C ATOM 0 H MET A 99 3.873 -0.826 -13.183 1.00 0.00 H new ATOM 0 HA MET A 99 5.711 -0.180 -11.153 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.757 -0.868 -11.124 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.626 -0.375 -9.685 1.00 0.00 H new ATOM 0 HG2 MET A 99 4.220 1.770 -10.777 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.357 1.276 -12.220 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.228 1.368 -11.532 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.076 0.298 -12.100 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.312 0.009 -10.518 1.00 0.00 H new ATOM 1509 N GLN A 100 4.619 -3.270 -11.199 1.00 0.00 N ATOM 1510 CA GLN A 100 4.820 -4.608 -10.667 1.00 0.00 C ATOM 1511 C GLN A 100 6.295 -4.993 -10.751 1.00 0.00 C ATOM 1512 O GLN A 100 6.897 -5.401 -9.753 1.00 0.00 O ATOM 1513 CB GLN A 100 3.937 -5.600 -11.444 1.00 0.00 C ATOM 1514 CG GLN A 100 3.850 -6.992 -10.837 1.00 0.00 C ATOM 1515 CD GLN A 100 4.841 -7.971 -11.435 1.00 0.00 C ATOM 1516 OE1 GLN A 100 5.991 -8.116 -10.803 1.00 0.00 O flip ATOM 1517 NE2 GLN A 100 4.557 -8.616 -12.444 1.00 0.00 N flip ATOM 0 H GLN A 100 4.000 -3.232 -12.009 1.00 0.00 H new ATOM 0 HA GLN A 100 4.532 -4.635 -9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.931 -5.188 -11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.321 -5.686 -12.461 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.021 -6.923 -9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.840 -7.378 -10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.657 -8.475 -12.903 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.221 -9.292 -12.821 1.00 0.00 H new ATOM 1526 N GLU A 101 6.884 -4.832 -11.931 1.00 0.00 N ATOM 1527 CA GLU A 101 8.290 -5.163 -12.132 1.00 0.00 C ATOM 1528 C GLU A 101 9.204 -4.135 -11.470 1.00 0.00 C ATOM 1529 O GLU A 101 10.347 -4.440 -11.140 1.00 0.00 O ATOM 1530 CB GLU A 101 8.620 -5.276 -13.621 1.00 0.00 C ATOM 1531 CG GLU A 101 7.867 -6.389 -14.334 1.00 0.00 C ATOM 1532 CD GLU A 101 8.348 -6.603 -15.751 1.00 0.00 C ATOM 1533 OE1 GLU A 101 7.955 -5.825 -16.645 1.00 0.00 O ATOM 1534 OE2 GLU A 101 9.116 -7.561 -15.981 1.00 0.00 O ATOM 0 H GLU A 101 6.411 -4.475 -12.761 1.00 0.00 H new ATOM 0 HA GLU A 101 8.465 -6.130 -11.661 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.393 -4.327 -14.107 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.691 -5.444 -13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.980 -7.316 -13.772 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.803 -6.152 -14.348 1.00 0.00 H new ATOM 1541 N GLN A 102 8.701 -2.919 -11.281 1.00 0.00 N ATOM 1542 CA GLN A 102 9.472 -1.880 -10.606 1.00 0.00 C ATOM 1543 C GLN A 102 9.700 -2.278 -9.154 1.00 0.00 C ATOM 1544 O GLN A 102 10.830 -2.271 -8.663 1.00 0.00 O ATOM 1545 CB GLN A 102 8.745 -0.534 -10.669 1.00 0.00 C ATOM 1546 CG GLN A 102 9.640 0.672 -10.400 1.00 0.00 C ATOM 1547 CD GLN A 102 10.615 0.983 -11.530 1.00 0.00 C ATOM 1548 OE1 GLN A 102 11.065 -0.033 -12.249 1.00 0.00 O flip ATOM 1549 NE2 GLN A 102 10.968 2.140 -11.752 1.00 0.00 N flip ATOM 0 H GLN A 102 7.771 -2.630 -11.583 1.00 0.00 H new ATOM 0 HA GLN A 102 10.432 -1.774 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.292 -0.424 -11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.932 -0.538 -9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.012 1.546 -10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.205 0.496 -9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.604 2.903 -11.181 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.625 2.337 -12.507 1.00 0.00 H new ATOM 1558 N LEU A 103 8.613 -2.636 -8.481 1.00 0.00 N ATOM 1559 CA LEU A 103 8.682 -3.126 -7.111 1.00 0.00 C ATOM 1560 C LEU A 103 9.487 -4.418 -7.056 1.00 0.00 C ATOM 1561 O LEU A 103 10.313 -4.610 -6.166 1.00 0.00 O ATOM 1562 CB LEU A 103 7.277 -3.363 -6.561 1.00 0.00 C ATOM 1563 CG LEU A 103 6.398 -2.116 -6.463 1.00 0.00 C ATOM 1564 CD1 LEU A 103 5.006 -2.484 -5.978 1.00 0.00 C ATOM 1565 CD2 LEU A 103 7.030 -1.091 -5.533 1.00 0.00 C ATOM 0 H LEU A 103 7.669 -2.595 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 103 9.177 -2.374 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.774 -4.094 -7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.362 -3.807 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 103 6.313 -1.675 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.393 -1.585 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.550 -3.184 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.074 -2.947 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.391 -0.210 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.144 -1.523 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.009 -0.805 -5.918 1.00 0.00 H new ATOM 1577 N LYS A 104 9.242 -5.287 -8.029 1.00 0.00 N ATOM 1578 CA LYS A 104 9.949 -6.558 -8.149 1.00 0.00 C ATOM 1579 C LYS A 104 11.462 -6.346 -8.208 1.00 0.00 C ATOM 1580 O LYS A 104 12.216 -7.013 -7.505 1.00 0.00 O ATOM 1581 CB LYS A 104 9.468 -7.278 -9.410 1.00 0.00 C ATOM 1582 CG LYS A 104 10.131 -8.621 -9.666 1.00 0.00 C ATOM 1583 CD LYS A 104 9.715 -9.179 -11.019 1.00 0.00 C ATOM 1584 CE LYS A 104 10.238 -10.589 -11.235 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.847 -11.119 -12.567 1.00 0.00 N ATOM 0 H LYS A 104 8.547 -5.131 -8.759 1.00 0.00 H new ATOM 0 HA LYS A 104 9.734 -7.165 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.391 -7.428 -9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.643 -6.632 -10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.215 -8.509 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.857 -9.323 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.627 -9.180 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.088 -8.528 -11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.324 -10.592 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.852 -11.244 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.221 -12.083 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.810 -11.139 -12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.236 -10.507 -13.312 1.00 0.00 H new ATOM 1599 N GLU A 105 11.892 -5.407 -9.046 1.00 0.00 N ATOM 1600 CA GLU A 105 13.309 -5.113 -9.226 1.00 0.00 C ATOM 1601 C GLU A 105 13.930 -4.611 -7.925 1.00 0.00 C ATOM 1602 O GLU A 105 15.060 -4.961 -7.581 1.00 0.00 O ATOM 1603 CB GLU A 105 13.478 -4.063 -10.329 1.00 0.00 C ATOM 1604 CG GLU A 105 14.922 -3.791 -10.719 1.00 0.00 C ATOM 1605 CD GLU A 105 15.037 -2.749 -11.813 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.413 -2.933 -12.881 1.00 0.00 O ATOM 1607 OE2 GLU A 105 15.756 -1.747 -11.619 1.00 0.00 O ATOM 0 H GLU A 105 11.272 -4.832 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 105 13.822 -6.030 -9.515 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.931 -4.391 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.021 -3.130 -9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.476 -3.456 -9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.386 -4.719 -11.054 1.00 0.00 H new ATOM 1614 N LEU A 106 13.173 -3.807 -7.197 1.00 0.00 N ATOM 1615 CA LEU A 106 13.652 -3.226 -5.953 1.00 0.00 C ATOM 1616 C LEU A 106 13.748 -4.288 -4.859 1.00 0.00 C ATOM 1617 O LEU A 106 14.733 -4.354 -4.123 1.00 0.00 O ATOM 1618 CB LEU A 106 12.722 -2.093 -5.521 1.00 0.00 C ATOM 1619 CG LEU A 106 13.234 -1.240 -4.363 1.00 0.00 C ATOM 1620 CD1 LEU A 106 14.553 -0.587 -4.736 1.00 0.00 C ATOM 1621 CD2 LEU A 106 12.203 -0.188 -3.996 1.00 0.00 C ATOM 0 H LEU A 106 12.221 -3.541 -7.447 1.00 0.00 H new ATOM 0 HA LEU A 106 14.651 -2.823 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.543 -1.444 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.760 -2.521 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 106 13.400 -1.881 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.908 0.019 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.289 -1.358 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.410 0.048 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.577 0.415 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.015 0.453 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.275 -0.676 -3.698 1.00 0.00 H new ATOM 1633 N VAL A 107 12.721 -5.125 -4.766 1.00 0.00 N ATOM 1634 CA VAL A 107 12.688 -6.187 -3.767 1.00 0.00 C ATOM 1635 C VAL A 107 13.707 -7.278 -4.101 1.00 0.00 C ATOM 1636 O VAL A 107 14.226 -7.947 -3.206 1.00 0.00 O ATOM 1637 CB VAL A 107 11.274 -6.805 -3.652 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.242 -7.928 -2.626 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.253 -5.739 -3.287 1.00 0.00 C ATOM 0 H VAL A 107 11.900 -5.089 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 107 12.949 -5.742 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 107 11.018 -7.225 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.235 -8.341 -2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.939 -8.712 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.529 -7.537 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.265 -6.193 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.521 -5.291 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.240 -4.969 -4.058 1.00 0.00 H new ATOM 1649 N LEU A 108 14.013 -7.425 -5.387 1.00 0.00 N ATOM 1650 CA LEU A 108 14.963 -8.432 -5.857 1.00 0.00 C ATOM 1651 C LEU A 108 16.298 -8.321 -5.134 1.00 0.00 C ATOM 1652 O LEU A 108 16.878 -9.325 -4.721 1.00 0.00 O ATOM 1653 CB LEU A 108 15.197 -8.281 -7.362 1.00 0.00 C ATOM 1654 CG LEU A 108 16.075 -9.361 -7.997 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.423 -10.728 -7.863 1.00 0.00 C ATOM 1656 CD2 LEU A 108 16.340 -9.041 -9.457 1.00 0.00 C ATOM 0 H LEU A 108 13.612 -6.853 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 108 14.531 -9.410 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.230 -8.279 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.654 -7.309 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 108 17.028 -9.381 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 108 16.063 -11.483 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.283 -10.962 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.455 -10.720 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.966 -9.820 -9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.394 -8.992 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.851 -8.081 -9.532 1.00 0.00 H new ATOM 1668 N GLU A 109 16.779 -7.097 -4.971 1.00 0.00 N ATOM 1669 CA GLU A 109 18.076 -6.877 -4.354 1.00 0.00 C ATOM 1670 C GLU A 109 17.928 -6.678 -2.847 1.00 0.00 C ATOM 1671 O GLU A 109 18.901 -6.425 -2.135 1.00 0.00 O ATOM 1672 CB GLU A 109 18.771 -5.675 -4.996 1.00 0.00 C ATOM 1673 CG GLU A 109 20.278 -5.689 -4.819 1.00 0.00 C ATOM 1674 CD GLU A 109 20.971 -4.555 -5.545 1.00 0.00 C ATOM 1675 OE1 GLU A 109 21.259 -4.709 -6.753 1.00 0.00 O ATOM 1676 OE2 GLU A 109 21.244 -3.514 -4.911 1.00 0.00 O ATOM 0 H GLU A 109 16.293 -6.247 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 109 18.694 -7.760 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.537 -5.655 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.370 -4.758 -4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 109 20.514 -5.630 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 109 20.672 -6.639 -5.181 1.00 0.00 H new ATOM 1683 N HIS A 110 16.704 -6.805 -2.359 1.00 0.00 N ATOM 1684 CA HIS A 110 16.439 -6.670 -0.937 1.00 0.00 C ATOM 1685 C HIS A 110 15.894 -7.980 -0.373 1.00 0.00 C ATOM 1686 O HIS A 110 14.692 -8.127 -0.145 1.00 0.00 O ATOM 1687 CB HIS A 110 15.464 -5.515 -0.665 1.00 0.00 C ATOM 1688 CG HIS A 110 15.195 -5.282 0.796 1.00 0.00 C ATOM 1689 ND1 HIS A 110 14.024 -5.670 1.415 1.00 0.00 N ATOM 1690 CD2 HIS A 110 15.950 -4.699 1.759 1.00 0.00 C ATOM 1691 CE1 HIS A 110 14.073 -5.337 2.692 1.00 0.00 C ATOM 1692 NE2 HIS A 110 15.228 -4.749 2.927 1.00 0.00 N ATOM 0 H HIS A 110 15.880 -7.001 -2.927 1.00 0.00 H new ATOM 0 HA HIS A 110 17.379 -6.439 -0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 110 15.867 -4.601 -1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 110 14.521 -5.721 -1.171 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.935 -4.275 1.632 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.297 -5.517 3.421 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.537 -4.389 3.830 1.00 0.00 H new TER 1701 HIS A 110