USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 688 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 3 SER OG : rot 43:sc= 0.52 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -29:sc= 1.16 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -56:sc= 1.27 USER MOD Single : A 23 MET CE :methyl 151:sc= 0 (180deg=-0.424) USER MOD Single : A 24 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 SER OG : rot -44:sc= 1.39 USER MOD Single : A 32 GLN : amide:sc= 0.423 X(o=0.42,f=-0.031) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 138:sc= 0.782 (180deg=-1.2) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0537 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 51 SER OG : rot -20:sc= 0.436 USER MOD Single : A 52 GLN : amide:sc= -0.0024 X(o=-0.0024,f=-0.07) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 169:sc= -0.327 (180deg=-0.594) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0119) USER MOD Single : A 62 ASN : amide:sc= 1.02 K(o=1,f=-0.94) USER MOD Single : A 63 MET CE :methyl -169:sc= -1.18 (180deg=-1.4) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00137 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 74 SER OG : rot -49:sc= 1.27 USER MOD Single : A 78 GLN : amide:sc= 0.444 X(o=0.44,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 84 SER OG : rot -63:sc= 1.04 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.289 21.238 -11.134 1.00 0.00 N ATOM 2 CA GLY A 1 8.896 20.235 -10.135 1.00 0.00 C ATOM 3 C GLY A 1 9.726 18.983 -10.337 1.00 0.00 C ATOM 4 O GLY A 1 9.768 18.459 -11.449 1.00 0.00 O ATOM 0 H1 GLY A 1 8.723 22.100 -11.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.298 21.465 -11.020 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.125 20.860 -12.089 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.046 20.627 -9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.835 20.003 -10.232 1.00 0.00 H new ATOM 8 N SER A 2 10.413 18.501 -9.302 1.00 0.00 N ATOM 9 CA SER A 2 11.253 17.312 -9.363 1.00 0.00 C ATOM 10 C SER A 2 11.367 16.693 -7.971 1.00 0.00 C ATOM 11 O SER A 2 10.791 17.192 -7.001 1.00 0.00 O ATOM 12 CB SER A 2 12.629 17.723 -9.909 1.00 0.00 C ATOM 13 OG SER A 2 13.430 16.603 -10.246 1.00 0.00 O ATOM 0 H SER A 2 10.399 18.937 -8.380 1.00 0.00 H new ATOM 0 HA SER A 2 10.818 16.562 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.495 18.350 -10.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.147 18.327 -9.164 1.00 0.00 H new ATOM 0 HG SER A 2 14.294 16.911 -10.590 1.00 0.00 H new ATOM 19 N SER A 3 12.093 15.583 -7.864 1.00 0.00 N ATOM 20 CA SER A 3 12.350 14.840 -6.646 1.00 0.00 C ATOM 21 C SER A 3 13.545 13.911 -6.865 1.00 0.00 C ATOM 22 O SER A 3 14.134 13.854 -7.950 1.00 0.00 O ATOM 23 CB SER A 3 11.091 14.071 -6.232 1.00 0.00 C ATOM 24 OG SER A 3 10.341 14.864 -5.332 1.00 0.00 O ATOM 0 H SER A 3 12.541 15.158 -8.676 1.00 0.00 H new ATOM 0 HA SER A 3 12.598 15.521 -5.832 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.492 13.829 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.365 13.126 -5.763 1.00 0.00 H new ATOM 0 HG SER A 3 10.313 15.789 -5.656 1.00 0.00 H new ATOM 30 N GLY A 4 13.951 13.250 -5.789 1.00 0.00 N ATOM 31 CA GLY A 4 15.045 12.308 -5.732 1.00 0.00 C ATOM 32 C GLY A 4 14.781 11.358 -4.570 1.00 0.00 C ATOM 33 O GLY A 4 13.895 11.607 -3.733 1.00 0.00 O ATOM 0 H GLY A 4 13.495 13.369 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.122 11.755 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.992 12.830 -5.591 1.00 0.00 H new ATOM 37 N SER A 5 15.527 10.265 -4.550 1.00 0.00 N ATOM 38 CA SER A 5 15.477 9.209 -3.557 1.00 0.00 C ATOM 39 C SER A 5 16.863 8.563 -3.498 1.00 0.00 C ATOM 40 O SER A 5 17.757 8.898 -4.282 1.00 0.00 O ATOM 41 CB SER A 5 14.360 8.217 -3.926 1.00 0.00 C ATOM 42 OG SER A 5 14.392 7.852 -5.296 1.00 0.00 O ATOM 0 H SER A 5 16.225 10.083 -5.271 1.00 0.00 H new ATOM 0 HA SER A 5 15.237 9.589 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.456 7.322 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.392 8.661 -3.694 1.00 0.00 H new ATOM 0 HG SER A 5 13.667 7.220 -5.483 1.00 0.00 H new ATOM 48 N SER A 6 17.098 7.662 -2.551 1.00 0.00 N ATOM 49 CA SER A 6 18.364 6.960 -2.380 1.00 0.00 C ATOM 50 C SER A 6 18.087 5.590 -1.757 1.00 0.00 C ATOM 51 O SER A 6 16.923 5.234 -1.522 1.00 0.00 O ATOM 52 CB SER A 6 19.317 7.813 -1.530 1.00 0.00 C ATOM 53 OG SER A 6 19.569 9.053 -2.167 1.00 0.00 O ATOM 0 H SER A 6 16.395 7.393 -1.863 1.00 0.00 H new ATOM 0 HA SER A 6 18.853 6.798 -3.341 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.882 7.984 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.254 7.279 -1.376 1.00 0.00 H new ATOM 0 HG SER A 6 20.176 9.587 -1.614 1.00 0.00 H new ATOM 59 N GLY A 7 19.146 4.818 -1.526 1.00 0.00 N ATOM 60 CA GLY A 7 19.101 3.485 -0.953 1.00 0.00 C ATOM 61 C GLY A 7 20.101 2.610 -1.697 1.00 0.00 C ATOM 62 O GLY A 7 21.062 2.117 -1.100 1.00 0.00 O ATOM 0 H GLY A 7 20.095 5.121 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.344 3.520 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.097 3.069 -1.037 1.00 0.00 H new ATOM 66 N PHE A 8 19.932 2.508 -3.018 1.00 0.00 N ATOM 67 CA PHE A 8 20.769 1.752 -3.952 1.00 0.00 C ATOM 68 C PHE A 8 20.740 0.230 -3.736 1.00 0.00 C ATOM 69 O PHE A 8 21.599 -0.468 -4.274 1.00 0.00 O ATOM 70 CB PHE A 8 22.192 2.350 -3.976 1.00 0.00 C ATOM 71 CG PHE A 8 22.228 3.866 -4.077 1.00 0.00 C ATOM 72 CD1 PHE A 8 21.811 4.503 -5.261 1.00 0.00 C ATOM 73 CD2 PHE A 8 22.626 4.641 -2.970 1.00 0.00 C ATOM 74 CE1 PHE A 8 21.802 5.907 -5.336 1.00 0.00 C ATOM 75 CE2 PHE A 8 22.605 6.043 -3.044 1.00 0.00 C ATOM 76 CZ PHE A 8 22.193 6.679 -4.227 1.00 0.00 C ATOM 0 H PHE A 8 19.161 2.979 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 8 20.337 1.864 -4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 8 22.718 2.045 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.738 1.928 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.498 3.914 -6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.948 4.155 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 8 21.494 6.395 -6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 8 22.906 6.633 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.177 7.757 -4.285 1.00 0.00 H new ATOM 86 N GLU A 9 19.743 -0.279 -3.005 1.00 0.00 N ATOM 87 CA GLU A 9 19.494 -1.679 -2.648 1.00 0.00 C ATOM 88 C GLU A 9 19.622 -2.678 -3.799 1.00 0.00 C ATOM 89 O GLU A 9 19.484 -2.302 -4.972 1.00 0.00 O ATOM 90 CB GLU A 9 18.046 -1.828 -2.128 1.00 0.00 C ATOM 91 CG GLU A 9 17.886 -1.381 -0.678 1.00 0.00 C ATOM 92 CD GLU A 9 18.091 0.116 -0.532 1.00 0.00 C ATOM 93 OE1 GLU A 9 17.594 0.863 -1.408 1.00 0.00 O ATOM 94 OE2 GLU A 9 18.807 0.539 0.401 1.00 0.00 O ATOM 0 H GLU A 9 19.027 0.333 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 9 20.260 -1.909 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.377 -1.243 -2.759 1.00 0.00 H new ATOM 0 HB3 GLU A 9 17.739 -2.870 -2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.892 -1.650 -0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.604 -1.911 -0.052 1.00 0.00 H new ATOM 101 N PRO A 10 19.822 -3.968 -3.472 1.00 0.00 N ATOM 102 CA PRO A 10 19.917 -5.019 -4.462 1.00 0.00 C ATOM 103 C PRO A 10 18.524 -5.187 -5.070 1.00 0.00 C ATOM 104 O PRO A 10 17.576 -5.542 -4.366 1.00 0.00 O ATOM 105 CB PRO A 10 20.381 -6.266 -3.701 1.00 0.00 C ATOM 106 CG PRO A 10 19.886 -6.039 -2.276 1.00 0.00 C ATOM 107 CD PRO A 10 19.998 -4.525 -2.128 1.00 0.00 C ATOM 0 HA PRO A 10 20.615 -4.815 -5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.958 -7.175 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 10 21.465 -6.372 -3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.861 -6.386 -2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 10 20.499 -6.565 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.238 -4.143 -1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 10 20.967 -4.245 -1.715 1.00 0.00 H new ATOM 115 N ARG A 11 18.358 -4.911 -6.364 1.00 0.00 N ATOM 116 CA ARG A 11 17.080 -5.059 -7.066 1.00 0.00 C ATOM 117 C ARG A 11 17.266 -6.112 -8.161 1.00 0.00 C ATOM 118 O ARG A 11 18.404 -6.368 -8.573 1.00 0.00 O ATOM 119 CB ARG A 11 16.553 -3.692 -7.546 1.00 0.00 C ATOM 120 CG ARG A 11 15.990 -2.885 -6.353 1.00 0.00 C ATOM 121 CD ARG A 11 15.408 -1.515 -6.734 1.00 0.00 C ATOM 122 NE ARG A 11 14.311 -1.633 -7.706 1.00 0.00 N ATOM 123 CZ ARG A 11 13.967 -0.759 -8.661 1.00 0.00 C ATOM 124 NH1 ARG A 11 14.573 0.418 -8.802 1.00 0.00 N ATOM 125 NH2 ARG A 11 13.017 -1.107 -9.514 1.00 0.00 N ATOM 0 H ARG A 11 19.114 -4.575 -6.961 1.00 0.00 H new ATOM 0 HA ARG A 11 16.293 -5.421 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.356 -3.133 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.775 -3.837 -8.295 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.213 -3.474 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.785 -2.738 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.045 -1.013 -5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.197 -0.890 -7.152 1.00 0.00 H new ATOM 0 HE ARG A 11 13.746 -2.480 -7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.329 0.682 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.282 1.056 -9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.568 -2.020 -9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.733 -0.463 -10.252 1.00 0.00 H new ATOM 139 N SER A 12 16.162 -6.733 -8.589 1.00 0.00 N ATOM 140 CA SER A 12 16.036 -7.780 -9.613 1.00 0.00 C ATOM 141 C SER A 12 16.276 -9.207 -9.089 1.00 0.00 C ATOM 142 O SER A 12 15.960 -10.158 -9.807 1.00 0.00 O ATOM 143 CB SER A 12 16.972 -7.567 -10.812 1.00 0.00 C ATOM 144 OG SER A 12 17.020 -6.228 -11.274 1.00 0.00 O ATOM 0 H SER A 12 15.252 -6.496 -8.194 1.00 0.00 H new ATOM 0 HA SER A 12 14.996 -7.687 -9.926 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.978 -7.881 -10.535 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.651 -8.212 -11.630 1.00 0.00 H new ATOM 0 HG SER A 12 17.635 -6.166 -12.035 1.00 0.00 H new ATOM 150 N LEU A 13 16.823 -9.399 -7.884 1.00 0.00 N ATOM 151 CA LEU A 13 17.121 -10.698 -7.266 1.00 0.00 C ATOM 152 C LEU A 13 16.129 -10.979 -6.126 1.00 0.00 C ATOM 153 O LEU A 13 15.250 -10.159 -5.853 1.00 0.00 O ATOM 154 CB LEU A 13 18.582 -10.715 -6.768 1.00 0.00 C ATOM 155 CG LEU A 13 19.639 -11.075 -7.831 1.00 0.00 C ATOM 156 CD1 LEU A 13 19.656 -10.152 -9.055 1.00 0.00 C ATOM 157 CD2 LEU A 13 21.024 -11.085 -7.175 1.00 0.00 C ATOM 0 H LEU A 13 17.083 -8.616 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 13 17.008 -11.491 -8.005 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.821 -9.732 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 13 18.660 -11.428 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 13 19.367 -12.060 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 13 20.430 -10.481 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.686 -10.187 -9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.864 -9.130 -8.737 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.778 -11.339 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 13 21.239 -10.099 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 13 21.042 -11.824 -6.374 1.00 0.00 H new ATOM 169 N ILE A 14 16.235 -12.136 -5.465 1.00 0.00 N ATOM 170 CA ILE A 14 15.365 -12.534 -4.361 1.00 0.00 C ATOM 171 C ILE A 14 16.232 -12.855 -3.151 1.00 0.00 C ATOM 172 O ILE A 14 16.892 -13.898 -3.125 1.00 0.00 O ATOM 173 CB ILE A 14 14.460 -13.730 -4.739 1.00 0.00 C ATOM 174 CG1 ILE A 14 13.521 -13.432 -5.927 1.00 0.00 C ATOM 175 CG2 ILE A 14 13.649 -14.207 -3.519 1.00 0.00 C ATOM 176 CD1 ILE A 14 12.453 -12.358 -5.693 1.00 0.00 C ATOM 0 H ILE A 14 16.944 -12.834 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 14 14.693 -11.709 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 14 15.128 -14.528 -5.063 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.131 -13.129 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.020 -14.358 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.019 -15.049 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.331 -14.518 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 14 13.022 -13.392 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.855 -12.236 -6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.807 -12.660 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.936 -11.412 -5.447 1.00 0.00 H new ATOM 188 N THR A 15 16.227 -11.972 -2.152 1.00 0.00 N ATOM 189 CA THR A 15 16.988 -12.185 -0.929 1.00 0.00 C ATOM 190 C THR A 15 16.266 -13.236 -0.068 1.00 0.00 C ATOM 191 O THR A 15 16.924 -14.041 0.595 1.00 0.00 O ATOM 192 CB THR A 15 17.226 -10.836 -0.214 1.00 0.00 C ATOM 193 OG1 THR A 15 18.218 -10.958 0.782 1.00 0.00 O ATOM 194 CG2 THR A 15 15.972 -10.221 0.419 1.00 0.00 C ATOM 0 H THR A 15 15.700 -11.099 -2.170 1.00 0.00 H new ATOM 0 HA THR A 15 17.980 -12.583 -1.145 1.00 0.00 H new ATOM 0 HB THR A 15 17.551 -10.161 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.351 -10.091 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.232 -9.277 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.225 -10.042 -0.354 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.567 -10.906 1.163 1.00 0.00 H new ATOM 202 N SER A 16 14.926 -13.287 -0.139 1.00 0.00 N ATOM 203 CA SER A 16 13.963 -14.149 0.559 1.00 0.00 C ATOM 204 C SER A 16 13.886 -13.864 2.066 1.00 0.00 C ATOM 205 O SER A 16 12.789 -13.733 2.600 1.00 0.00 O ATOM 206 CB SER A 16 14.147 -15.639 0.218 1.00 0.00 C ATOM 207 OG SER A 16 15.320 -16.220 0.760 1.00 0.00 O ATOM 0 H SER A 16 14.435 -12.647 -0.763 1.00 0.00 H new ATOM 0 HA SER A 16 12.979 -13.884 0.173 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.281 -16.192 0.580 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.167 -15.752 -0.866 1.00 0.00 H new ATOM 0 HG SER A 16 16.013 -15.533 0.852 1.00 0.00 H new ATOM 213 N ASP A 17 15.042 -13.612 2.685 1.00 0.00 N ATOM 214 CA ASP A 17 15.423 -13.320 4.072 1.00 0.00 C ATOM 215 C ASP A 17 14.567 -12.342 4.897 1.00 0.00 C ATOM 216 O ASP A 17 14.921 -12.014 6.032 1.00 0.00 O ATOM 217 CB ASP A 17 16.884 -12.836 4.025 1.00 0.00 C ATOM 218 CG ASP A 17 17.553 -12.820 5.396 1.00 0.00 C ATOM 219 OD1 ASP A 17 17.663 -13.891 6.040 1.00 0.00 O ATOM 220 OD2 ASP A 17 18.061 -11.753 5.819 1.00 0.00 O ATOM 0 H ASP A 17 15.887 -13.609 2.114 1.00 0.00 H new ATOM 0 HA ASP A 17 15.258 -14.250 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 17 17.453 -13.482 3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 17 16.915 -11.833 3.601 1.00 0.00 H new ATOM 225 N LYS A 18 13.484 -11.809 4.340 1.00 0.00 N ATOM 226 CA LYS A 18 12.573 -10.867 4.974 1.00 0.00 C ATOM 227 C LYS A 18 11.251 -11.512 5.375 1.00 0.00 C ATOM 228 O LYS A 18 10.762 -11.257 6.476 1.00 0.00 O ATOM 229 CB LYS A 18 12.269 -9.740 3.979 1.00 0.00 C ATOM 230 CG LYS A 18 13.466 -8.836 3.637 1.00 0.00 C ATOM 231 CD LYS A 18 13.268 -7.417 4.180 1.00 0.00 C ATOM 232 CE LYS A 18 13.408 -7.410 5.704 1.00 0.00 C ATOM 233 NZ LYS A 18 13.055 -6.107 6.297 1.00 0.00 N ATOM 0 H LYS A 18 13.205 -12.035 3.385 1.00 0.00 H new ATOM 0 HA LYS A 18 13.057 -10.498 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.891 -10.182 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.470 -9.121 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.378 -9.263 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.598 -8.798 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.003 -6.744 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.283 -7.045 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.768 -8.184 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.434 -7.662 5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.166 -6.154 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.682 -5.370 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.068 -5.876 6.065 1.00 0.00 H new ATOM 247 N GLY A 19 10.614 -12.258 4.471 1.00 0.00 N ATOM 248 CA GLY A 19 9.323 -12.907 4.698 1.00 0.00 C ATOM 249 C GLY A 19 8.148 -11.918 4.600 1.00 0.00 C ATOM 250 O GLY A 19 7.065 -12.286 4.146 1.00 0.00 O ATOM 0 H GLY A 19 10.991 -12.431 3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.186 -13.704 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.321 -13.374 5.683 1.00 0.00 H new ATOM 254 N PHE A 20 8.355 -10.650 4.967 1.00 0.00 N ATOM 255 CA PHE A 20 7.370 -9.576 4.931 1.00 0.00 C ATOM 256 C PHE A 20 7.926 -8.392 4.144 1.00 0.00 C ATOM 257 O PHE A 20 9.133 -8.277 3.911 1.00 0.00 O ATOM 258 CB PHE A 20 6.979 -9.167 6.358 1.00 0.00 C ATOM 259 CG PHE A 20 5.997 -10.115 7.013 1.00 0.00 C ATOM 260 CD1 PHE A 20 6.452 -11.262 7.686 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.617 -9.847 6.952 1.00 0.00 C ATOM 262 CE1 PHE A 20 5.535 -12.138 8.294 1.00 0.00 C ATOM 263 CE2 PHE A 20 3.698 -10.739 7.526 1.00 0.00 C ATOM 264 CZ PHE A 20 4.155 -11.885 8.200 1.00 0.00 C ATOM 0 H PHE A 20 9.261 -10.334 5.314 1.00 0.00 H new ATOM 0 HA PHE A 20 6.469 -9.926 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.879 -9.110 6.970 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.545 -8.167 6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.510 -11.472 7.736 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.264 -8.952 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.890 -13.004 8.833 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.638 -10.545 7.450 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.448 -12.570 8.645 1.00 0.00 H new ATOM 274 N VAL A 21 7.034 -7.496 3.737 1.00 0.00 N ATOM 275 CA VAL A 21 7.346 -6.305 2.968 1.00 0.00 C ATOM 276 C VAL A 21 6.268 -5.256 3.284 1.00 0.00 C ATOM 277 O VAL A 21 5.117 -5.602 3.576 1.00 0.00 O ATOM 278 CB VAL A 21 7.463 -6.743 1.482 1.00 0.00 C ATOM 279 CG1 VAL A 21 6.303 -7.619 0.971 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.718 -5.588 0.516 1.00 0.00 C ATOM 0 H VAL A 21 6.039 -7.586 3.943 1.00 0.00 H new ATOM 0 HA VAL A 21 8.295 -5.831 3.218 1.00 0.00 H new ATOM 0 HB VAL A 21 8.352 -7.374 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.473 -7.874 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.249 -8.532 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.365 -7.071 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.788 -5.973 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.897 -4.874 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.652 -5.092 0.781 1.00 0.00 H new ATOM 290 N THR A 22 6.591 -3.967 3.197 1.00 0.00 N ATOM 291 CA THR A 22 5.660 -2.864 3.465 1.00 0.00 C ATOM 292 C THR A 22 5.163 -2.320 2.115 1.00 0.00 C ATOM 293 O THR A 22 5.897 -2.373 1.125 1.00 0.00 O ATOM 294 CB THR A 22 6.386 -1.800 4.307 1.00 0.00 C ATOM 295 OG1 THR A 22 7.040 -2.415 5.404 1.00 0.00 O ATOM 296 CG2 THR A 22 5.449 -0.720 4.851 1.00 0.00 C ATOM 0 H THR A 22 7.524 -3.650 2.933 1.00 0.00 H new ATOM 0 HA THR A 22 4.790 -3.190 4.035 1.00 0.00 H new ATOM 0 HB THR A 22 7.101 -1.319 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.390 -2.932 5.924 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.023 -0.001 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.964 -0.207 4.020 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.692 -1.181 5.485 1.00 0.00 H new ATOM 304 N MET A 23 3.912 -1.880 2.035 1.00 0.00 N ATOM 305 CA MET A 23 3.257 -1.327 0.851 1.00 0.00 C ATOM 306 C MET A 23 2.766 0.072 1.179 1.00 0.00 C ATOM 307 O MET A 23 2.694 0.478 2.344 1.00 0.00 O ATOM 308 CB MET A 23 2.062 -2.214 0.432 1.00 0.00 C ATOM 309 CG MET A 23 2.382 -3.319 -0.581 1.00 0.00 C ATOM 310 SD MET A 23 1.918 -2.963 -2.293 1.00 0.00 S ATOM 311 CE MET A 23 2.062 -4.612 -3.047 1.00 0.00 C ATOM 0 H MET A 23 3.289 -1.900 2.843 1.00 0.00 H new ATOM 0 HA MET A 23 3.967 -1.293 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.644 -2.676 1.326 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.287 -1.573 0.012 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.453 -3.520 -0.547 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.876 -4.232 -0.268 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.365 -4.693 -3.881 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.080 -4.759 -3.409 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.828 -5.374 -2.303 1.00 0.00 H new ATOM 321 N THR A 24 2.541 0.863 0.140 1.00 0.00 N ATOM 322 CA THR A 24 2.025 2.211 0.235 1.00 0.00 C ATOM 323 C THR A 24 0.992 2.352 -0.878 1.00 0.00 C ATOM 324 O THR A 24 1.110 1.733 -1.941 1.00 0.00 O ATOM 325 CB THR A 24 3.161 3.232 0.178 1.00 0.00 C ATOM 326 OG1 THR A 24 4.141 2.864 1.138 1.00 0.00 O ATOM 327 CG2 THR A 24 2.714 4.648 0.517 1.00 0.00 C ATOM 0 H THR A 24 2.720 0.570 -0.821 1.00 0.00 H new ATOM 0 HA THR A 24 1.540 2.408 1.191 1.00 0.00 H new ATOM 0 HB THR A 24 3.540 3.229 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.702 3.640 1.347 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.568 5.323 0.458 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.949 4.967 -0.191 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.304 4.668 1.527 1.00 0.00 H new ATOM 335 N LEU A 25 -0.028 3.158 -0.625 1.00 0.00 N ATOM 336 CA LEU A 25 -1.113 3.440 -1.536 1.00 0.00 C ATOM 337 C LEU A 25 -1.248 4.957 -1.524 1.00 0.00 C ATOM 338 O LEU A 25 -1.627 5.519 -0.495 1.00 0.00 O ATOM 339 CB LEU A 25 -2.377 2.698 -1.074 1.00 0.00 C ATOM 340 CG LEU A 25 -3.466 2.737 -2.151 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.204 1.705 -3.248 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.841 2.462 -1.537 1.00 0.00 C ATOM 0 H LEU A 25 -0.121 3.653 0.262 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.939 3.095 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.129 1.662 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.753 3.150 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.448 3.735 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.995 1.760 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.244 1.912 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.186 0.706 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.601 2.494 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.841 1.477 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.062 3.219 -0.785 1.00 0.00 H new ATOM 354 N GLU A 26 -0.839 5.609 -2.609 1.00 0.00 N ATOM 355 CA GLU A 26 -0.858 7.061 -2.771 1.00 0.00 C ATOM 356 C GLU A 26 -2.213 7.500 -3.336 1.00 0.00 C ATOM 357 O GLU A 26 -2.751 6.815 -4.213 1.00 0.00 O ATOM 358 CB GLU A 26 0.327 7.486 -3.671 1.00 0.00 C ATOM 359 CG GLU A 26 1.667 6.944 -3.128 1.00 0.00 C ATOM 360 CD GLU A 26 2.919 7.380 -3.903 1.00 0.00 C ATOM 361 OE1 GLU A 26 3.202 6.858 -5.007 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.719 8.160 -3.331 1.00 0.00 O ATOM 0 H GLU A 26 -0.472 5.125 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.737 7.557 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.167 7.117 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.370 8.574 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.774 7.262 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.624 5.855 -3.125 1.00 0.00 H new ATOM 369 N SER A 27 -2.730 8.633 -2.844 1.00 0.00 N ATOM 370 CA SER A 27 -4.017 9.208 -3.239 1.00 0.00 C ATOM 371 C SER A 27 -3.899 10.415 -4.180 1.00 0.00 C ATOM 372 O SER A 27 -2.819 10.987 -4.360 1.00 0.00 O ATOM 373 CB SER A 27 -4.763 9.728 -1.998 1.00 0.00 C ATOM 374 OG SER A 27 -4.755 8.848 -0.904 1.00 0.00 O ATOM 0 H SER A 27 -2.248 9.190 -2.139 1.00 0.00 H new ATOM 0 HA SER A 27 -4.538 8.399 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.317 10.674 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.797 9.938 -2.272 1.00 0.00 H new ATOM 0 HG SER A 27 -4.942 7.938 -1.215 1.00 0.00 H new ATOM 380 N LEU A 28 -5.049 10.851 -4.712 1.00 0.00 N ATOM 381 CA LEU A 28 -5.198 12.003 -5.598 1.00 0.00 C ATOM 382 C LEU A 28 -5.284 13.266 -4.744 1.00 0.00 C ATOM 383 O LEU A 28 -4.701 14.301 -5.073 1.00 0.00 O ATOM 384 CB LEU A 28 -6.533 11.939 -6.367 1.00 0.00 C ATOM 385 CG LEU A 28 -6.666 10.873 -7.461 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.084 10.935 -8.017 1.00 0.00 C ATOM 387 CD2 LEU A 28 -5.664 11.088 -8.587 1.00 0.00 C ATOM 0 H LEU A 28 -5.938 10.386 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.352 12.006 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.332 11.780 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.706 12.914 -6.823 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.459 9.895 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.202 10.184 -8.798 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.798 10.741 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.268 11.925 -8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.792 10.311 -9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.830 12.065 -9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.651 11.042 -8.187 1.00 0.00 H new ATOM 399 N GLU A 29 -6.046 13.186 -3.653 1.00 0.00 N ATOM 400 CA GLU A 29 -6.312 14.239 -2.694 1.00 0.00 C ATOM 401 C GLU A 29 -6.470 13.587 -1.310 1.00 0.00 C ATOM 402 O GLU A 29 -6.380 12.363 -1.180 1.00 0.00 O ATOM 403 CB GLU A 29 -7.579 14.969 -3.178 1.00 0.00 C ATOM 404 CG GLU A 29 -7.843 16.312 -2.494 1.00 0.00 C ATOM 405 CD GLU A 29 -9.060 17.012 -3.087 1.00 0.00 C ATOM 406 OE1 GLU A 29 -10.192 16.686 -2.656 1.00 0.00 O ATOM 407 OE2 GLU A 29 -8.893 17.864 -3.989 1.00 0.00 O ATOM 0 H GLU A 29 -6.524 12.319 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.509 14.972 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.499 15.133 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.440 14.320 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.997 16.154 -1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.967 16.953 -2.598 1.00 0.00 H new ATOM 414 N GLU A 30 -6.649 14.397 -0.270 1.00 0.00 N ATOM 415 CA GLU A 30 -6.823 13.958 1.105 1.00 0.00 C ATOM 416 C GLU A 30 -8.136 13.167 1.256 1.00 0.00 C ATOM 417 O GLU A 30 -9.069 13.329 0.454 1.00 0.00 O ATOM 418 CB GLU A 30 -6.750 15.219 1.988 1.00 0.00 C ATOM 419 CG GLU A 30 -6.589 14.865 3.469 1.00 0.00 C ATOM 420 CD GLU A 30 -6.114 16.011 4.374 1.00 0.00 C ATOM 421 OE1 GLU A 30 -5.843 17.139 3.909 1.00 0.00 O ATOM 422 OE2 GLU A 30 -5.960 15.779 5.597 1.00 0.00 O ATOM 0 H GLU A 30 -6.677 15.412 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.041 13.266 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.912 15.839 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.655 15.812 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.546 14.502 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.880 14.041 3.553 1.00 0.00 H new ATOM 429 N ILE A 31 -8.205 12.311 2.280 1.00 0.00 N ATOM 430 CA ILE A 31 -9.342 11.452 2.614 1.00 0.00 C ATOM 431 C ILE A 31 -9.790 11.699 4.060 1.00 0.00 C ATOM 432 O ILE A 31 -9.035 12.243 4.868 1.00 0.00 O ATOM 433 CB ILE A 31 -8.981 9.961 2.401 1.00 0.00 C ATOM 434 CG1 ILE A 31 -7.759 9.549 3.256 1.00 0.00 C ATOM 435 CG2 ILE A 31 -8.754 9.645 0.913 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.540 8.039 3.351 1.00 0.00 C ATOM 0 H ILE A 31 -7.429 12.194 2.931 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.169 11.700 1.949 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.832 9.368 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.864 10.009 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.882 9.951 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.503 8.591 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -9.662 9.864 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.936 10.256 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.664 7.836 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.416 7.572 3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.383 7.631 2.353 1.00 0.00 H new ATOM 448 N GLN A 32 -10.991 11.217 4.401 1.00 0.00 N ATOM 449 CA GLN A 32 -11.564 11.373 5.728 1.00 0.00 C ATOM 450 C GLN A 32 -10.839 10.527 6.780 1.00 0.00 C ATOM 451 O GLN A 32 -10.500 11.060 7.834 1.00 0.00 O ATOM 452 CB GLN A 32 -13.068 11.031 5.697 1.00 0.00 C ATOM 453 CG GLN A 32 -13.768 11.162 7.065 1.00 0.00 C ATOM 454 CD GLN A 32 -13.740 12.595 7.586 1.00 0.00 C ATOM 455 OE1 GLN A 32 -14.685 13.344 7.369 1.00 0.00 O ATOM 456 NE2 GLN A 32 -12.678 12.998 8.268 1.00 0.00 N ATOM 0 H GLN A 32 -11.591 10.705 3.754 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.437 12.416 6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.565 11.686 4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.191 10.011 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.802 10.829 6.977 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -13.282 10.505 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -11.905 12.354 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -12.634 13.952 8.626 1.00 0.00 H new ATOM 465 N ASP A 33 -10.721 9.209 6.569 1.00 0.00 N ATOM 466 CA ASP A 33 -10.068 8.280 7.499 1.00 0.00 C ATOM 467 C ASP A 33 -9.828 6.940 6.791 1.00 0.00 C ATOM 468 O ASP A 33 -10.330 6.728 5.681 1.00 0.00 O ATOM 469 CB ASP A 33 -10.973 8.040 8.724 1.00 0.00 C ATOM 470 CG ASP A 33 -10.228 7.611 9.992 1.00 0.00 C ATOM 471 OD1 ASP A 33 -9.035 7.243 9.933 1.00 0.00 O ATOM 472 OD2 ASP A 33 -10.881 7.634 11.063 1.00 0.00 O ATOM 0 H ASP A 33 -11.083 8.751 5.732 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.120 8.709 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.526 8.955 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.707 7.274 8.473 1.00 0.00 H new ATOM 477 N VAL A 34 -9.137 6.001 7.444 1.00 0.00 N ATOM 478 CA VAL A 34 -8.825 4.673 6.911 1.00 0.00 C ATOM 479 C VAL A 34 -10.064 3.851 6.537 1.00 0.00 C ATOM 480 O VAL A 34 -9.936 2.916 5.747 1.00 0.00 O ATOM 481 CB VAL A 34 -7.922 3.879 7.880 1.00 0.00 C ATOM 482 CG1 VAL A 34 -6.554 4.539 8.053 1.00 0.00 C ATOM 483 CG2 VAL A 34 -8.532 3.670 9.273 1.00 0.00 C ATOM 0 H VAL A 34 -8.769 6.148 8.384 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.283 4.851 5.982 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.817 2.903 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.950 3.949 8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.052 4.595 7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.683 5.545 8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.837 3.104 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.725 4.638 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.468 3.119 9.181 1.00 0.00 H new ATOM 493 N SER A 35 -11.261 4.181 7.047 1.00 0.00 N ATOM 494 CA SER A 35 -12.471 3.431 6.714 1.00 0.00 C ATOM 495 C SER A 35 -12.719 3.422 5.203 1.00 0.00 C ATOM 496 O SER A 35 -13.323 2.484 4.672 1.00 0.00 O ATOM 497 CB SER A 35 -13.689 3.971 7.485 1.00 0.00 C ATOM 498 OG SER A 35 -14.301 5.111 6.894 1.00 0.00 O ATOM 0 H SER A 35 -11.411 4.960 7.688 1.00 0.00 H new ATOM 0 HA SER A 35 -12.320 2.397 7.025 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.432 3.178 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.379 4.225 8.499 1.00 0.00 H new ATOM 0 HG SER A 35 -15.065 5.392 7.440 1.00 0.00 H new ATOM 504 N CYS A 36 -12.268 4.471 4.508 1.00 0.00 N ATOM 505 CA CYS A 36 -12.426 4.589 3.078 1.00 0.00 C ATOM 506 C CYS A 36 -11.507 3.622 2.334 1.00 0.00 C ATOM 507 O CYS A 36 -11.921 3.045 1.330 1.00 0.00 O ATOM 508 CB CYS A 36 -12.134 6.029 2.640 1.00 0.00 C ATOM 509 SG CYS A 36 -13.340 7.166 3.372 1.00 0.00 S ATOM 0 H CYS A 36 -11.782 5.260 4.935 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.456 4.333 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.126 6.312 2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.170 6.100 1.553 1.00 0.00 H new ATOM 0 HG CYS A 36 -13.077 8.381 2.993 1.00 0.00 H new ATOM 515 N ALA A 37 -10.287 3.397 2.825 1.00 0.00 N ATOM 516 CA ALA A 37 -9.379 2.500 2.132 1.00 0.00 C ATOM 517 C ALA A 37 -9.944 1.070 2.163 1.00 0.00 C ATOM 518 O ALA A 37 -9.945 0.364 1.156 1.00 0.00 O ATOM 519 CB ALA A 37 -7.984 2.598 2.746 1.00 0.00 C ATOM 0 H ALA A 37 -9.917 3.815 3.679 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.287 2.789 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.308 1.923 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.618 3.621 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.030 2.320 3.799 1.00 0.00 H new ATOM 525 N TRP A 38 -10.502 0.647 3.304 1.00 0.00 N ATOM 526 CA TRP A 38 -11.079 -0.686 3.473 1.00 0.00 C ATOM 527 C TRP A 38 -12.207 -0.991 2.477 1.00 0.00 C ATOM 528 O TRP A 38 -12.260 -2.107 1.940 1.00 0.00 O ATOM 529 CB TRP A 38 -11.524 -0.874 4.929 1.00 0.00 C ATOM 530 CG TRP A 38 -10.378 -1.088 5.871 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.930 -0.221 6.807 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.478 -2.234 5.927 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.814 -0.748 7.428 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.483 -1.984 6.916 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.392 -3.452 5.216 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.436 -2.883 7.168 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.348 -4.362 5.462 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.367 -4.073 6.424 1.00 0.00 C ATOM 0 H TRP A 38 -10.565 1.227 4.141 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.301 -1.415 3.245 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -12.088 0.003 5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -12.200 -1.727 4.989 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.376 0.736 7.034 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.299 -0.280 8.173 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -10.139 -3.688 4.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.695 -2.664 7.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.301 -5.288 4.908 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.557 -4.767 6.593 1.00 0.00 H new ATOM 549 N LYS A 39 -13.108 -0.033 2.212 1.00 0.00 N ATOM 550 CA LYS A 39 -14.208 -0.246 1.264 1.00 0.00 C ATOM 551 C LYS A 39 -13.679 -0.456 -0.157 1.00 0.00 C ATOM 552 O LYS A 39 -14.229 -1.298 -0.872 1.00 0.00 O ATOM 553 CB LYS A 39 -15.266 0.883 1.316 1.00 0.00 C ATOM 554 CG LYS A 39 -14.694 2.275 1.073 1.00 0.00 C ATOM 555 CD LYS A 39 -15.666 3.385 0.675 1.00 0.00 C ATOM 556 CE LYS A 39 -14.779 4.633 0.499 1.00 0.00 C ATOM 557 NZ LYS A 39 -15.403 5.768 -0.198 1.00 0.00 N ATOM 0 H LYS A 39 -13.095 0.893 2.640 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.718 -1.159 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.035 0.682 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.754 0.866 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.180 2.589 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.939 2.195 0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.192 3.139 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.424 3.542 1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.457 4.969 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.882 4.344 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.723 6.552 -0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.685 5.475 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.243 6.081 0.330 1.00 0.00 H new ATOM 571 N GLU A 40 -12.641 0.278 -0.558 1.00 0.00 N ATOM 572 CA GLU A 40 -12.043 0.200 -1.884 1.00 0.00 C ATOM 573 C GLU A 40 -11.261 -1.095 -2.046 1.00 0.00 C ATOM 574 O GLU A 40 -11.539 -1.831 -2.990 1.00 0.00 O ATOM 575 CB GLU A 40 -11.184 1.444 -2.117 1.00 0.00 C ATOM 576 CG GLU A 40 -10.325 1.333 -3.387 1.00 0.00 C ATOM 577 CD GLU A 40 -9.574 2.611 -3.679 1.00 0.00 C ATOM 578 OE1 GLU A 40 -9.003 3.173 -2.717 1.00 0.00 O ATOM 579 OE2 GLU A 40 -9.623 3.063 -4.843 1.00 0.00 O ATOM 0 H GLU A 40 -12.184 0.959 0.048 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.822 0.182 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.830 2.319 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.535 1.601 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.615 0.514 -3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.963 1.086 -4.235 1.00 0.00 H new ATOM 586 N LEU A 41 -10.352 -1.412 -1.115 1.00 0.00 N ATOM 587 CA LEU A 41 -9.548 -2.636 -1.140 1.00 0.00 C ATOM 588 C LEU A 41 -10.476 -3.822 -1.416 1.00 0.00 C ATOM 589 O LEU A 41 -10.242 -4.598 -2.335 1.00 0.00 O ATOM 590 CB LEU A 41 -8.844 -2.827 0.222 1.00 0.00 C ATOM 591 CG LEU A 41 -7.605 -1.944 0.466 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.277 -1.929 1.962 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.367 -2.437 -0.281 1.00 0.00 C ATOM 0 H LEU A 41 -10.153 -0.815 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.789 -2.568 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.567 -2.632 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.546 -3.872 0.312 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.853 -0.949 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.401 -1.305 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.125 -1.527 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.072 -2.945 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.527 -1.775 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.123 -3.448 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.566 -2.440 -1.353 1.00 0.00 H new ATOM 605 N ASN A 42 -11.581 -3.934 -0.671 1.00 0.00 N ATOM 606 CA ASN A 42 -12.556 -5.016 -0.830 1.00 0.00 C ATOM 607 C ASN A 42 -13.196 -5.087 -2.222 1.00 0.00 C ATOM 608 O ASN A 42 -13.687 -6.148 -2.611 1.00 0.00 O ATOM 609 CB ASN A 42 -13.651 -4.897 0.241 1.00 0.00 C ATOM 610 CG ASN A 42 -13.260 -5.674 1.484 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.495 -6.875 1.575 1.00 0.00 O ATOM 612 ND2 ASN A 42 -12.634 -5.008 2.439 1.00 0.00 N ATOM 0 H ASN A 42 -11.825 -3.271 0.065 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.996 -5.943 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.809 -3.849 0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.595 -5.276 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.330 -5.492 3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.455 -4.010 2.331 1.00 0.00 H new ATOM 619 N ARG A 43 -13.288 -3.988 -2.975 1.00 0.00 N ATOM 620 CA ARG A 43 -13.877 -3.997 -4.317 1.00 0.00 C ATOM 621 C ARG A 43 -12.906 -4.524 -5.365 1.00 0.00 C ATOM 622 O ARG A 43 -13.359 -5.019 -6.398 1.00 0.00 O ATOM 623 CB ARG A 43 -14.302 -2.585 -4.747 1.00 0.00 C ATOM 624 CG ARG A 43 -15.645 -2.168 -4.151 1.00 0.00 C ATOM 625 CD ARG A 43 -16.151 -0.948 -4.923 1.00 0.00 C ATOM 626 NE ARG A 43 -17.441 -0.470 -4.418 1.00 0.00 N ATOM 627 CZ ARG A 43 -18.649 -0.947 -4.724 1.00 0.00 C ATOM 628 NH1 ARG A 43 -18.789 -2.016 -5.498 1.00 0.00 N ATOM 629 NH2 ARG A 43 -19.724 -0.339 -4.240 1.00 0.00 N ATOM 0 H ARG A 43 -12.958 -3.071 -2.674 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.744 -4.655 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.537 -1.871 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.363 -2.543 -5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.362 -2.986 -4.220 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.534 -1.930 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.416 -0.146 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.247 -1.202 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.412 0.311 -3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.965 -2.488 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.721 -2.366 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.620 0.481 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.654 -0.692 -4.465 1.00 0.00 H new ATOM 643 N LYS A 44 -11.595 -4.421 -5.141 1.00 0.00 N ATOM 644 CA LYS A 44 -10.600 -4.878 -6.110 1.00 0.00 C ATOM 645 C LYS A 44 -9.812 -6.083 -5.620 1.00 0.00 C ATOM 646 O LYS A 44 -9.062 -6.652 -6.406 1.00 0.00 O ATOM 647 CB LYS A 44 -9.677 -3.715 -6.520 1.00 0.00 C ATOM 648 CG LYS A 44 -10.408 -2.400 -6.856 1.00 0.00 C ATOM 649 CD LYS A 44 -11.484 -2.447 -7.948 1.00 0.00 C ATOM 650 CE LYS A 44 -12.290 -1.147 -7.854 1.00 0.00 C ATOM 651 NZ LYS A 44 -13.181 -0.956 -9.010 1.00 0.00 N ATOM 0 H LYS A 44 -11.197 -4.022 -4.291 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.138 -5.217 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.972 -3.526 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.092 -4.022 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.872 -2.030 -5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.659 -1.665 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.027 -2.545 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.133 -3.312 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.883 -1.155 -6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.605 -0.302 -7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.102 -0.601 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.757 -0.268 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.314 -1.864 -9.500 1.00 0.00 H new ATOM 665 N LEU A 45 -9.993 -6.519 -4.373 1.00 0.00 N ATOM 666 CA LEU A 45 -9.295 -7.650 -3.773 1.00 0.00 C ATOM 667 C LEU A 45 -10.311 -8.660 -3.250 1.00 0.00 C ATOM 668 O LEU A 45 -11.510 -8.376 -3.147 1.00 0.00 O ATOM 669 CB LEU A 45 -8.371 -7.162 -2.639 1.00 0.00 C ATOM 670 CG LEU A 45 -7.361 -6.076 -3.069 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.598 -5.559 -1.850 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.395 -6.607 -4.127 1.00 0.00 C ATOM 0 H LEU A 45 -10.653 -6.077 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.677 -8.137 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.985 -6.770 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.822 -8.015 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.915 -5.249 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.888 -4.793 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.301 -5.131 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.060 -6.383 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.696 -5.820 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.842 -7.455 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.957 -6.926 -5.005 1.00 0.00 H new ATOM 684 N SER A 46 -9.833 -9.859 -2.930 1.00 0.00 N ATOM 685 CA SER A 46 -10.650 -10.950 -2.418 1.00 0.00 C ATOM 686 C SER A 46 -10.709 -10.833 -0.893 1.00 0.00 C ATOM 687 O SER A 46 -9.703 -10.497 -0.266 1.00 0.00 O ATOM 688 CB SER A 46 -10.072 -12.283 -2.916 1.00 0.00 C ATOM 689 OG SER A 46 -8.657 -12.265 -3.050 1.00 0.00 O ATOM 0 H SER A 46 -8.847 -10.102 -3.022 1.00 0.00 H new ATOM 0 HA SER A 46 -11.676 -10.902 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.355 -13.076 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.519 -12.528 -3.880 1.00 0.00 H new ATOM 0 HG SER A 46 -8.347 -13.139 -3.368 1.00 0.00 H new ATOM 695 N SER A 47 -11.846 -11.146 -0.261 1.00 0.00 N ATOM 696 CA SER A 47 -11.971 -11.031 1.190 1.00 0.00 C ATOM 697 C SER A 47 -11.007 -11.933 1.983 1.00 0.00 C ATOM 698 O SER A 47 -10.736 -11.638 3.147 1.00 0.00 O ATOM 699 CB SER A 47 -13.414 -11.281 1.619 1.00 0.00 C ATOM 700 OG SER A 47 -14.338 -10.511 0.867 1.00 0.00 O ATOM 0 H SER A 47 -12.687 -11.479 -0.732 1.00 0.00 H new ATOM 0 HA SER A 47 -11.682 -10.009 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.647 -12.339 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.523 -11.044 2.677 1.00 0.00 H new ATOM 0 HG SER A 47 -15.249 -10.703 1.173 1.00 0.00 H new ATOM 706 N ASN A 48 -10.492 -13.017 1.396 1.00 0.00 N ATOM 707 CA ASN A 48 -9.550 -13.913 2.066 1.00 0.00 C ATOM 708 C ASN A 48 -8.185 -13.224 2.114 1.00 0.00 C ATOM 709 O ASN A 48 -7.548 -13.131 3.165 1.00 0.00 O ATOM 710 CB ASN A 48 -9.470 -15.257 1.315 1.00 0.00 C ATOM 711 CG ASN A 48 -8.625 -16.318 2.025 1.00 0.00 C ATOM 712 OD1 ASN A 48 -8.128 -16.139 3.135 1.00 0.00 O ATOM 713 ND2 ASN A 48 -8.482 -17.475 1.405 1.00 0.00 N ATOM 0 H ASN A 48 -10.718 -13.297 0.442 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.884 -14.126 3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.479 -15.644 1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.056 -15.082 0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.956 -18.229 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.898 -17.615 0.484 1.00 0.00 H new ATOM 720 N ALA A 49 -7.742 -12.700 0.968 1.00 0.00 N ATOM 721 CA ALA A 49 -6.469 -12.015 0.824 1.00 0.00 C ATOM 722 C ALA A 49 -6.444 -10.675 1.556 1.00 0.00 C ATOM 723 O ALA A 49 -5.452 -10.362 2.210 1.00 0.00 O ATOM 724 CB ALA A 49 -6.207 -11.762 -0.656 1.00 0.00 C ATOM 0 H ALA A 49 -8.275 -12.745 0.100 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.701 -12.653 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.253 -11.248 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.175 -12.713 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.005 -11.144 -1.066 1.00 0.00 H new ATOM 730 N VAL A 50 -7.529 -9.896 1.512 1.00 0.00 N ATOM 731 CA VAL A 50 -7.572 -8.588 2.161 1.00 0.00 C ATOM 732 C VAL A 50 -7.347 -8.715 3.681 1.00 0.00 C ATOM 733 O VAL A 50 -6.882 -7.775 4.332 1.00 0.00 O ATOM 734 CB VAL A 50 -8.863 -7.843 1.752 1.00 0.00 C ATOM 735 CG1 VAL A 50 -10.040 -8.183 2.664 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.684 -6.323 1.712 1.00 0.00 C ATOM 0 H VAL A 50 -8.391 -10.153 1.031 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.746 -7.967 1.814 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.082 -8.191 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.924 -7.635 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.239 -9.254 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.799 -7.903 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.623 -5.854 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.392 -5.965 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.909 -6.067 0.989 1.00 0.00 H new ATOM 746 N SER A 51 -7.647 -9.883 4.268 1.00 0.00 N ATOM 747 CA SER A 51 -7.462 -10.127 5.687 1.00 0.00 C ATOM 748 C SER A 51 -5.968 -10.192 6.062 1.00 0.00 C ATOM 749 O SER A 51 -5.669 -10.183 7.261 1.00 0.00 O ATOM 750 CB SER A 51 -8.210 -11.398 6.101 1.00 0.00 C ATOM 751 OG SER A 51 -8.021 -11.638 7.491 1.00 0.00 O ATOM 0 H SER A 51 -8.026 -10.682 3.760 1.00 0.00 H new ATOM 0 HA SER A 51 -7.883 -9.288 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.273 -11.293 5.882 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.848 -12.248 5.523 1.00 0.00 H new ATOM 0 HG SER A 51 -7.229 -11.152 7.802 1.00 0.00 H new ATOM 757 N GLN A 52 -5.047 -10.304 5.099 1.00 0.00 N ATOM 758 CA GLN A 52 -3.608 -10.360 5.347 1.00 0.00 C ATOM 759 C GLN A 52 -3.061 -8.964 5.658 1.00 0.00 C ATOM 760 O GLN A 52 -2.040 -8.843 6.336 1.00 0.00 O ATOM 761 CB GLN A 52 -2.888 -10.916 4.108 1.00 0.00 C ATOM 762 CG GLN A 52 -3.333 -12.332 3.715 1.00 0.00 C ATOM 763 CD GLN A 52 -2.850 -13.377 4.712 1.00 0.00 C ATOM 764 OE1 GLN A 52 -1.704 -13.800 4.669 1.00 0.00 O ATOM 765 NE2 GLN A 52 -3.671 -13.843 5.642 1.00 0.00 N ATOM 0 H GLN A 52 -5.288 -10.359 4.109 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.432 -11.012 6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.061 -10.244 3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.814 -10.922 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.421 -12.366 3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.948 -12.571 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.631 -13.501 5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.343 -14.543 6.307 1.00 0.00 H new ATOM 774 N ILE A 53 -3.729 -7.920 5.157 1.00 0.00 N ATOM 775 CA ILE A 53 -3.352 -6.531 5.360 1.00 0.00 C ATOM 776 C ILE A 53 -3.510 -6.236 6.849 1.00 0.00 C ATOM 777 O ILE A 53 -4.546 -6.545 7.442 1.00 0.00 O ATOM 778 CB ILE A 53 -4.250 -5.612 4.498 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.050 -5.897 2.991 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.988 -4.123 4.787 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.143 -5.259 2.129 1.00 0.00 C ATOM 0 H ILE A 53 -4.567 -8.028 4.586 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.322 -6.347 5.055 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.283 -5.834 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.077 -5.519 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.042 -6.974 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.638 -3.511 4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.193 -3.915 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.947 -3.887 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.958 -5.488 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.115 -5.656 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.135 -4.178 2.272 1.00 0.00 H new ATOM 793 N THR A 54 -2.505 -5.617 7.450 1.00 0.00 N ATOM 794 CA THR A 54 -2.502 -5.251 8.854 1.00 0.00 C ATOM 795 C THR A 54 -1.687 -3.963 8.980 1.00 0.00 C ATOM 796 O THR A 54 -1.137 -3.474 7.989 1.00 0.00 O ATOM 797 CB THR A 54 -1.957 -6.440 9.665 1.00 0.00 C ATOM 798 OG1 THR A 54 -2.169 -6.304 11.057 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.469 -6.675 9.432 1.00 0.00 C ATOM 0 H THR A 54 -1.650 -5.350 6.962 1.00 0.00 H new ATOM 0 HA THR A 54 -3.494 -5.046 9.256 1.00 0.00 H new ATOM 0 HB THR A 54 -2.523 -7.297 9.300 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.805 -7.087 11.521 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.137 -7.525 10.028 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.294 -6.882 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.090 -5.786 9.725 1.00 0.00 H new ATOM 807 N ARG A 55 -1.589 -3.408 10.191 1.00 0.00 N ATOM 808 CA ARG A 55 -0.843 -2.179 10.476 1.00 0.00 C ATOM 809 C ARG A 55 -1.298 -0.990 9.618 1.00 0.00 C ATOM 810 O ARG A 55 -0.531 -0.037 9.506 1.00 0.00 O ATOM 811 CB ARG A 55 0.670 -2.462 10.313 1.00 0.00 C ATOM 812 CG ARG A 55 1.249 -3.412 11.366 1.00 0.00 C ATOM 813 CD ARG A 55 1.389 -2.726 12.731 1.00 0.00 C ATOM 814 NE ARG A 55 2.683 -3.066 13.328 1.00 0.00 N ATOM 815 CZ ARG A 55 2.927 -3.876 14.357 1.00 0.00 C ATOM 816 NH1 ARG A 55 1.943 -4.405 15.077 1.00 0.00 N ATOM 817 NH2 ARG A 55 4.188 -4.145 14.661 1.00 0.00 N ATOM 0 H ARG A 55 -2.035 -3.808 11.017 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.049 -1.883 11.505 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.844 -2.885 9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.211 -1.517 10.356 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.604 -4.286 11.462 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.224 -3.770 11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.304 -1.645 12.615 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.580 -3.040 13.391 1.00 0.00 H new ATOM 0 HE ARG A 55 3.500 -2.627 12.902 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.972 -4.194 14.847 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.159 -5.022 15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.944 -3.735 14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.403 -4.762 15.444 1.00 0.00 H new ATOM 831 N MET A 56 -2.506 -1.000 9.031 1.00 0.00 N ATOM 832 CA MET A 56 -2.950 0.109 8.189 1.00 0.00 C ATOM 833 C MET A 56 -2.953 1.429 8.958 1.00 0.00 C ATOM 834 O MET A 56 -3.745 1.597 9.898 1.00 0.00 O ATOM 835 CB MET A 56 -4.285 -0.148 7.477 1.00 0.00 C ATOM 836 CG MET A 56 -4.529 0.934 6.411 1.00 0.00 C ATOM 837 SD MET A 56 -6.248 1.097 5.880 1.00 0.00 S ATOM 838 CE MET A 56 -6.375 -0.360 4.818 1.00 0.00 C ATOM 0 H MET A 56 -3.182 -1.758 9.126 1.00 0.00 H new ATOM 0 HA MET A 56 -2.213 0.190 7.390 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.274 -1.133 7.011 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.099 -0.147 8.202 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.192 1.893 6.803 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.913 0.711 5.539 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.420 -0.530 4.558 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.796 -0.199 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.986 -1.230 5.346 1.00 0.00 H new ATOM 848 N CYS A 57 -2.077 2.339 8.530 1.00 0.00 N ATOM 849 CA CYS A 57 -1.873 3.667 9.074 1.00 0.00 C ATOM 850 C CYS A 57 -2.024 4.685 7.935 1.00 0.00 C ATOM 851 O CYS A 57 -1.990 4.325 6.754 1.00 0.00 O ATOM 852 CB CYS A 57 -0.484 3.697 9.729 1.00 0.00 C ATOM 853 SG CYS A 57 -0.305 5.072 10.894 1.00 0.00 S ATOM 0 H CYS A 57 -1.455 2.148 7.744 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.608 3.925 9.837 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.310 2.756 10.251 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.279 3.778 8.955 1.00 0.00 H new ATOM 0 HG CYS A 57 0.885 5.045 11.417 1.00 0.00 H new ATOM 859 N LEU A 58 -2.225 5.955 8.287 1.00 0.00 N ATOM 860 CA LEU A 58 -2.387 7.053 7.337 1.00 0.00 C ATOM 861 C LEU A 58 -1.046 7.721 7.089 1.00 0.00 C ATOM 862 O LEU A 58 -0.262 7.909 8.023 1.00 0.00 O ATOM 863 CB LEU A 58 -3.339 8.117 7.915 1.00 0.00 C ATOM 864 CG LEU A 58 -4.800 7.650 7.915 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.615 8.376 8.981 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.469 7.853 6.553 1.00 0.00 C ATOM 0 H LEU A 58 -2.281 6.254 9.261 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.791 6.646 6.410 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.036 8.357 8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.253 9.034 7.332 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.778 6.583 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.646 8.022 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.188 8.177 9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.594 9.448 8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.502 7.508 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.451 8.911 6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.931 7.284 5.795 1.00 0.00 H new ATOM 878 N LEU A 59 -0.786 8.080 5.833 1.00 0.00 N ATOM 879 CA LEU A 59 0.434 8.777 5.437 1.00 0.00 C ATOM 880 C LEU A 59 0.316 10.224 5.934 1.00 0.00 C ATOM 881 O LEU A 59 -0.763 10.654 6.364 1.00 0.00 O ATOM 882 CB LEU A 59 0.637 8.722 3.912 1.00 0.00 C ATOM 883 CG LEU A 59 0.907 7.300 3.378 1.00 0.00 C ATOM 884 CD1 LEU A 59 0.950 7.304 1.846 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.228 6.726 3.904 1.00 0.00 C ATOM 0 H LEU A 59 -1.421 7.894 5.057 1.00 0.00 H new ATOM 0 HA LEU A 59 1.307 8.297 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.249 9.124 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.472 9.368 3.641 1.00 0.00 H new ATOM 0 HG LEU A 59 0.090 6.671 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.141 6.294 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.006 7.654 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.745 7.967 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.375 5.724 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.053 7.367 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.196 6.679 4.993 1.00 0.00 H new ATOM 897 N LYS A 60 1.412 10.994 5.917 1.00 0.00 N ATOM 898 CA LYS A 60 1.342 12.388 6.369 1.00 0.00 C ATOM 899 C LYS A 60 0.305 13.127 5.529 1.00 0.00 C ATOM 900 O LYS A 60 0.184 12.885 4.325 1.00 0.00 O ATOM 901 CB LYS A 60 2.695 13.114 6.316 1.00 0.00 C ATOM 902 CG LYS A 60 3.373 13.164 7.695 1.00 0.00 C ATOM 903 CD LYS A 60 4.062 11.855 8.104 1.00 0.00 C ATOM 904 CE LYS A 60 5.571 11.859 7.829 1.00 0.00 C ATOM 905 NZ LYS A 60 5.927 12.194 6.433 1.00 0.00 N ATOM 0 H LYS A 60 2.333 10.686 5.604 1.00 0.00 H new ATOM 0 HA LYS A 60 1.050 12.380 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.351 12.608 5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.548 14.129 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.111 13.966 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.625 13.418 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.893 11.679 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.603 11.026 7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.050 12.575 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.977 10.877 8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.956 12.110 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.445 11.539 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.631 13.169 6.224 1.00 0.00 H new ATOM 919 N GLY A 61 -0.435 14.022 6.173 1.00 0.00 N ATOM 920 CA GLY A 61 -1.476 14.812 5.550 1.00 0.00 C ATOM 921 C GLY A 61 -2.581 13.937 4.958 1.00 0.00 C ATOM 922 O GLY A 61 -3.307 14.406 4.085 1.00 0.00 O ATOM 0 H GLY A 61 -0.320 14.219 7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.906 15.491 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.041 15.429 4.764 1.00 0.00 H new ATOM 926 N ASN A 62 -2.698 12.680 5.413 1.00 0.00 N ATOM 927 CA ASN A 62 -3.664 11.670 4.982 1.00 0.00 C ATOM 928 C ASN A 62 -3.669 11.521 3.453 1.00 0.00 C ATOM 929 O ASN A 62 -4.676 11.145 2.860 1.00 0.00 O ATOM 930 CB ASN A 62 -5.063 11.921 5.578 1.00 0.00 C ATOM 931 CG ASN A 62 -5.032 12.378 7.028 1.00 0.00 C ATOM 932 OD1 ASN A 62 -4.760 11.609 7.940 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.255 13.654 7.283 1.00 0.00 N ATOM 0 H ASN A 62 -2.077 12.323 6.140 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.345 10.707 5.381 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.575 12.674 4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.649 11.005 5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.201 14.000 8.241 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.482 14.294 6.522 1.00 0.00 H new ATOM 940 N MET A 63 -2.530 11.790 2.805 1.00 0.00 N ATOM 941 CA MET A 63 -2.320 11.724 1.356 1.00 0.00 C ATOM 942 C MET A 63 -2.247 10.280 0.819 1.00 0.00 C ATOM 943 O MET A 63 -1.773 10.054 -0.298 1.00 0.00 O ATOM 944 CB MET A 63 -1.053 12.544 1.022 1.00 0.00 C ATOM 945 CG MET A 63 -1.307 13.684 0.039 1.00 0.00 C ATOM 946 SD MET A 63 -1.315 13.235 -1.710 1.00 0.00 S ATOM 947 CE MET A 63 -3.099 13.266 -1.937 1.00 0.00 C ATOM 0 H MET A 63 -1.687 12.074 3.304 1.00 0.00 H new ATOM 0 HA MET A 63 -3.184 12.155 0.849 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.642 12.955 1.944 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.298 11.877 0.606 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.268 14.139 0.281 1.00 0.00 H new ATOM 0 HG3 MET A 63 -0.545 14.448 0.194 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.351 12.828 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.577 12.693 -1.143 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.452 14.297 -1.903 1.00 0.00 H new ATOM 957 N GLY A 64 -2.649 9.294 1.620 1.00 0.00 N ATOM 958 CA GLY A 64 -2.646 7.883 1.290 1.00 0.00 C ATOM 959 C GLY A 64 -2.535 7.051 2.555 1.00 0.00 C ATOM 960 O GLY A 64 -2.653 7.574 3.671 1.00 0.00 O ATOM 0 H GLY A 64 -3.001 9.474 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.560 7.625 0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.813 7.659 0.624 1.00 0.00 H new ATOM 964 N VAL A 65 -2.348 5.745 2.388 1.00 0.00 N ATOM 965 CA VAL A 65 -2.208 4.782 3.475 1.00 0.00 C ATOM 966 C VAL A 65 -1.017 3.866 3.188 1.00 0.00 C ATOM 967 O VAL A 65 -0.478 3.846 2.079 1.00 0.00 O ATOM 968 CB VAL A 65 -3.518 3.981 3.695 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.646 4.859 4.251 1.00 0.00 C ATOM 970 CG2 VAL A 65 -4.021 3.263 2.433 1.00 0.00 C ATOM 0 H VAL A 65 -2.288 5.315 1.465 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.018 5.317 4.405 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.251 3.221 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.543 4.255 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.341 5.280 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.857 5.667 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.940 2.724 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.216 3.996 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.264 2.559 2.089 1.00 0.00 H new ATOM 980 N CYS A 66 -0.607 3.105 4.193 1.00 0.00 N ATOM 981 CA CYS A 66 0.486 2.145 4.148 1.00 0.00 C ATOM 982 C CYS A 66 0.085 0.950 5.014 1.00 0.00 C ATOM 983 O CYS A 66 -0.855 1.066 5.810 1.00 0.00 O ATOM 984 CB CYS A 66 1.797 2.810 4.605 1.00 0.00 C ATOM 985 SG CYS A 66 1.551 3.887 6.054 1.00 0.00 S ATOM 0 H CYS A 66 -1.052 3.143 5.110 1.00 0.00 H new ATOM 0 HA CYS A 66 0.669 1.793 3.133 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.529 2.039 4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.211 3.396 3.784 1.00 0.00 H new ATOM 0 HG CYS A 66 2.686 4.419 6.397 1.00 0.00 H new ATOM 991 N PHE A 67 0.727 -0.205 4.822 1.00 0.00 N ATOM 992 CA PHE A 67 0.473 -1.432 5.576 1.00 0.00 C ATOM 993 C PHE A 67 1.604 -2.448 5.359 1.00 0.00 C ATOM 994 O PHE A 67 2.411 -2.280 4.444 1.00 0.00 O ATOM 995 CB PHE A 67 -0.901 -2.028 5.211 1.00 0.00 C ATOM 996 CG PHE A 67 -1.343 -1.985 3.758 1.00 0.00 C ATOM 997 CD1 PHE A 67 -0.816 -2.906 2.834 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.382 -1.121 3.358 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.323 -2.961 1.525 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.904 -1.188 2.053 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.373 -2.111 1.135 1.00 0.00 C ATOM 0 H PHE A 67 1.457 -0.314 4.118 1.00 0.00 H new ATOM 0 HA PHE A 67 0.451 -1.184 6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.906 -3.071 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.656 -1.510 5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.020 -3.572 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.781 -0.402 4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.904 -3.659 0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.710 -0.533 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.771 -2.167 0.132 1.00 0.00 H new ATOM 1011 N ASP A 68 1.665 -3.490 6.198 1.00 0.00 N ATOM 1012 CA ASP A 68 2.657 -4.575 6.137 1.00 0.00 C ATOM 1013 C ASP A 68 1.919 -5.828 5.670 1.00 0.00 C ATOM 1014 O ASP A 68 0.807 -6.094 6.135 1.00 0.00 O ATOM 1015 CB ASP A 68 3.307 -4.878 7.503 1.00 0.00 C ATOM 1016 CG ASP A 68 4.463 -3.952 7.908 1.00 0.00 C ATOM 1017 OD1 ASP A 68 5.262 -3.505 7.051 1.00 0.00 O ATOM 1018 OD2 ASP A 68 4.620 -3.732 9.134 1.00 0.00 O ATOM 0 H ASP A 68 1.003 -3.606 6.965 1.00 0.00 H new ATOM 0 HA ASP A 68 3.457 -4.271 5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.536 -4.825 8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.674 -5.904 7.491 1.00 0.00 H new ATOM 1023 N VAL A 69 2.553 -6.639 4.824 1.00 0.00 N ATOM 1024 CA VAL A 69 2.006 -7.875 4.255 1.00 0.00 C ATOM 1025 C VAL A 69 3.116 -8.912 3.986 1.00 0.00 C ATOM 1026 O VAL A 69 4.288 -8.526 3.897 1.00 0.00 O ATOM 1027 CB VAL A 69 1.338 -7.562 2.895 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.027 -6.881 2.860 1.00 0.00 C ATOM 1029 CG2 VAL A 69 2.219 -6.687 1.996 1.00 0.00 C ATOM 0 H VAL A 69 3.501 -6.447 4.502 1.00 0.00 H new ATOM 0 HA VAL A 69 1.292 -8.278 4.974 1.00 0.00 H new ATOM 0 HB VAL A 69 1.197 -8.588 2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.338 -6.742 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.757 -7.503 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.038 -5.911 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.703 -6.497 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.422 -5.740 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.160 -7.201 1.797 1.00 0.00 H new ATOM 1039 N PRO A 70 2.794 -10.215 3.839 1.00 0.00 N ATOM 1040 CA PRO A 70 3.799 -11.230 3.534 1.00 0.00 C ATOM 1041 C PRO A 70 4.249 -11.060 2.073 1.00 0.00 C ATOM 1042 O PRO A 70 3.481 -10.579 1.229 1.00 0.00 O ATOM 1043 CB PRO A 70 3.096 -12.573 3.745 1.00 0.00 C ATOM 1044 CG PRO A 70 1.630 -12.262 3.439 1.00 0.00 C ATOM 1045 CD PRO A 70 1.470 -10.826 3.937 1.00 0.00 C ATOM 0 HA PRO A 70 4.688 -11.155 4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.490 -13.341 3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.225 -12.937 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.414 -12.346 2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.956 -12.946 3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.744 -10.282 3.333 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.107 -10.808 4.965 1.00 0.00 H new ATOM 1053 N THR A 71 5.464 -11.490 1.736 1.00 0.00 N ATOM 1054 CA THR A 71 5.983 -11.369 0.373 1.00 0.00 C ATOM 1055 C THR A 71 5.200 -12.249 -0.614 1.00 0.00 C ATOM 1056 O THR A 71 4.939 -11.826 -1.739 1.00 0.00 O ATOM 1057 CB THR A 71 7.481 -11.718 0.347 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.695 -12.978 0.947 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.332 -10.685 1.088 1.00 0.00 C ATOM 0 H THR A 71 6.111 -11.928 2.392 1.00 0.00 H new ATOM 0 HA THR A 71 5.854 -10.335 0.054 1.00 0.00 H new ATOM 0 HB THR A 71 7.782 -11.729 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.651 -13.193 0.925 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.381 -10.977 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.206 -9.708 0.622 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.016 -10.634 2.130 1.00 0.00 H new ATOM 1067 N THR A 72 4.757 -13.439 -0.199 1.00 0.00 N ATOM 1068 CA THR A 72 4.027 -14.379 -1.046 1.00 0.00 C ATOM 1069 C THR A 72 2.780 -13.797 -1.717 1.00 0.00 C ATOM 1070 O THR A 72 2.492 -14.161 -2.860 1.00 0.00 O ATOM 1071 CB THR A 72 3.703 -15.651 -0.239 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.254 -15.331 1.068 1.00 0.00 O ATOM 1073 CG2 THR A 72 4.950 -16.528 -0.092 1.00 0.00 C ATOM 0 H THR A 72 4.899 -13.780 0.752 1.00 0.00 H new ATOM 0 HA THR A 72 4.685 -14.627 -1.879 1.00 0.00 H new ATOM 0 HB THR A 72 2.921 -16.180 -0.784 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.054 -16.157 1.557 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.701 -17.421 0.481 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.309 -16.818 -1.079 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.729 -15.969 0.427 1.00 0.00 H new ATOM 1081 N GLU A 73 2.055 -12.890 -1.057 1.00 0.00 N ATOM 1082 CA GLU A 73 0.845 -12.310 -1.637 1.00 0.00 C ATOM 1083 C GLU A 73 1.104 -11.007 -2.398 1.00 0.00 C ATOM 1084 O GLU A 73 0.309 -10.653 -3.268 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.181 -12.056 -0.521 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.594 -12.462 -0.934 1.00 0.00 C ATOM 1087 CD GLU A 73 -1.700 -13.981 -1.030 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -1.687 -14.649 0.026 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -1.750 -14.537 -2.150 1.00 0.00 O ATOM 0 H GLU A 73 2.285 -12.544 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 73 0.463 -13.028 -2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.109 -12.612 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.172 -10.999 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.315 -12.085 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.843 -12.011 -1.895 1.00 0.00 H new ATOM 1096 N SER A 74 2.246 -10.349 -2.168 1.00 0.00 N ATOM 1097 CA SER A 74 2.601 -9.079 -2.788 1.00 0.00 C ATOM 1098 C SER A 74 2.452 -9.095 -4.313 1.00 0.00 C ATOM 1099 O SER A 74 1.992 -8.137 -4.933 1.00 0.00 O ATOM 1100 CB SER A 74 4.053 -8.729 -2.426 1.00 0.00 C ATOM 1101 OG SER A 74 5.055 -9.548 -3.004 1.00 0.00 O ATOM 0 H SER A 74 2.962 -10.697 -1.530 1.00 0.00 H new ATOM 0 HA SER A 74 1.909 -8.329 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.241 -7.697 -2.722 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.157 -8.774 -1.342 1.00 0.00 H new ATOM 0 HG SER A 74 4.828 -10.491 -2.863 1.00 0.00 H new ATOM 1107 N GLU A 75 2.853 -10.214 -4.908 1.00 0.00 N ATOM 1108 CA GLU A 75 2.861 -10.514 -6.329 1.00 0.00 C ATOM 1109 C GLU A 75 1.445 -10.651 -6.893 1.00 0.00 C ATOM 1110 O GLU A 75 1.202 -10.273 -8.042 1.00 0.00 O ATOM 1111 CB GLU A 75 3.661 -11.806 -6.533 1.00 0.00 C ATOM 1112 CG GLU A 75 5.063 -11.773 -5.881 1.00 0.00 C ATOM 1113 CD GLU A 75 5.849 -13.062 -6.104 1.00 0.00 C ATOM 1114 OE1 GLU A 75 5.462 -13.875 -6.979 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.840 -13.312 -5.386 1.00 0.00 O ATOM 0 H GLU A 75 3.210 -10.997 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 75 3.326 -9.690 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.097 -12.642 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.770 -11.991 -7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.628 -10.934 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.957 -11.598 -4.810 1.00 0.00 H new ATOM 1122 N ARG A 76 0.527 -11.242 -6.117 1.00 0.00 N ATOM 1123 CA ARG A 76 -0.869 -11.411 -6.512 1.00 0.00 C ATOM 1124 C ARG A 76 -1.531 -10.042 -6.430 1.00 0.00 C ATOM 1125 O ARG A 76 -2.240 -9.642 -7.349 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.594 -12.389 -5.567 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.388 -13.877 -5.882 1.00 0.00 C ATOM 1128 CD ARG A 76 -2.123 -14.286 -7.170 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.325 -15.741 -7.277 1.00 0.00 N ATOM 1130 CZ ARG A 76 -3.241 -16.467 -6.617 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -4.075 -15.910 -5.748 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -3.320 -17.773 -6.816 1.00 0.00 N ATOM 0 H ARG A 76 0.738 -11.617 -5.192 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.923 -11.820 -7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.258 -12.200 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.662 -12.173 -5.596 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.323 -14.084 -5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.748 -14.480 -5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.091 -13.786 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.554 -13.939 -8.033 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.709 -16.246 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.029 -14.907 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.762 -16.485 -5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.685 -18.228 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.016 -18.324 -6.314 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.262 -9.305 -5.354 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.796 -7.975 -5.100 1.00 0.00 C ATOM 1148 C LEU A 77 -1.466 -7.035 -6.251 1.00 0.00 C ATOM 1149 O LEU A 77 -2.344 -6.339 -6.757 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.237 -7.459 -3.763 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.114 -7.912 -2.586 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.392 -7.792 -1.250 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.376 -7.060 -2.541 1.00 0.00 C ATOM 0 H LEU A 77 -0.644 -9.632 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.883 -8.020 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.220 -7.825 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.184 -6.370 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.358 -8.963 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.052 -8.124 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.497 -8.413 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.110 -6.753 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.001 -7.379 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.103 -6.013 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.928 -7.178 -3.473 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.209 -7.056 -6.694 1.00 0.00 N ATOM 1166 CA GLN A 78 0.284 -6.240 -7.793 1.00 0.00 C ATOM 1167 C GLN A 78 -0.438 -6.533 -9.118 1.00 0.00 C ATOM 1168 O GLN A 78 -0.389 -5.686 -10.007 1.00 0.00 O ATOM 1169 CB GLN A 78 1.804 -6.450 -7.897 1.00 0.00 C ATOM 1170 CG GLN A 78 2.531 -5.497 -6.937 1.00 0.00 C ATOM 1171 CD GLN A 78 4.009 -5.835 -6.769 1.00 0.00 C ATOM 1172 OE1 GLN A 78 4.876 -5.339 -7.489 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.335 -6.675 -5.803 1.00 0.00 N ATOM 0 H GLN A 78 0.508 -7.656 -6.286 1.00 0.00 H new ATOM 0 HA GLN A 78 0.072 -5.191 -7.587 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.054 -7.483 -7.656 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.135 -6.272 -8.920 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.437 -4.476 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.043 -5.529 -5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.609 -7.080 -5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.313 -6.919 -5.648 1.00 0.00 H new ATOM 1182 N ALA A 79 -1.090 -7.694 -9.258 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.827 -8.082 -10.455 1.00 0.00 C ATOM 1184 C ALA A 79 -3.331 -7.812 -10.302 1.00 0.00 C ATOM 1185 O ALA A 79 -4.024 -7.617 -11.301 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.580 -9.566 -10.737 1.00 0.00 C ATOM 0 H ALA A 79 -1.117 -8.401 -8.523 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.471 -7.482 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.128 -9.863 -11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.514 -9.734 -10.892 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.921 -10.159 -9.889 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.851 -7.811 -9.072 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.262 -7.561 -8.789 1.00 0.00 C ATOM 1194 C GLU A 80 -5.585 -6.063 -8.770 1.00 0.00 C ATOM 1195 O GLU A 80 -6.748 -5.691 -8.934 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.646 -8.170 -7.430 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.809 -9.693 -7.481 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.435 -10.231 -6.192 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -7.677 -10.162 -6.035 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -5.708 -10.820 -5.364 1.00 0.00 O ATOM 0 H GLU A 80 -3.294 -7.986 -8.235 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.837 -8.028 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.882 -7.916 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.579 -7.722 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.434 -9.965 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.836 -10.160 -7.637 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.586 -5.193 -8.572 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.808 -3.755 -8.529 1.00 0.00 C ATOM 1209 C TRP A 81 -5.268 -3.245 -9.895 1.00 0.00 C ATOM 1210 O TRP A 81 -4.488 -3.192 -10.851 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.592 -2.997 -7.981 1.00 0.00 C ATOM 1212 CG TRP A 81 -3.991 -1.755 -7.242 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.728 -0.478 -7.604 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -4.793 -1.671 -6.027 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.326 0.385 -6.705 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -4.984 -0.297 -5.700 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.421 -2.622 -5.191 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -5.725 0.100 -4.572 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.153 -2.233 -4.062 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -6.264 -0.877 -3.720 1.00 0.00 C ATOM 0 H TRP A 81 -3.613 -5.469 -8.439 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.613 -3.555 -7.822 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.028 -3.650 -7.315 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.929 -2.732 -8.804 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -3.143 -0.180 -8.461 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.286 1.402 -6.775 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.335 -3.672 -5.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -5.878 1.148 -4.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -6.635 -2.982 -3.451 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -6.761 -0.586 -2.806 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.550 -2.907 -9.995 1.00 0.00 N ATOM 1232 CA HIS A 82 -7.204 -2.410 -11.190 1.00 0.00 C ATOM 1233 C HIS A 82 -8.382 -1.520 -10.794 1.00 0.00 C ATOM 1234 O HIS A 82 -8.796 -1.511 -9.633 1.00 0.00 O ATOM 1235 CB HIS A 82 -7.672 -3.605 -12.049 1.00 0.00 C ATOM 1236 CG HIS A 82 -6.767 -3.879 -13.223 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -5.621 -4.642 -13.232 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -6.925 -3.356 -14.476 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -5.085 -4.555 -14.460 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -5.852 -3.790 -15.263 1.00 0.00 N ATOM 0 H HIS A 82 -7.188 -2.978 -9.203 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.508 -1.813 -11.779 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.725 -4.496 -11.423 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.681 -3.410 -12.413 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.735 -2.720 -14.801 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.165 -5.033 -14.763 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.684 -3.572 -16.245 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.922 -0.800 -11.780 1.00 0.00 N ATOM 1249 CA ASP A 83 -10.061 0.121 -11.728 1.00 0.00 C ATOM 1250 C ASP A 83 -10.163 0.922 -10.419 1.00 0.00 C ATOM 1251 O ASP A 83 -11.212 0.965 -9.778 1.00 0.00 O ATOM 1252 CB ASP A 83 -11.342 -0.654 -12.077 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.544 0.268 -12.315 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.531 1.053 -13.292 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.530 0.179 -11.548 1.00 0.00 O ATOM 0 H ASP A 83 -8.537 -0.852 -12.723 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.905 0.898 -12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.167 -1.254 -12.970 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.575 -1.347 -11.268 1.00 0.00 H new ATOM 1260 N SER A 84 -9.048 1.509 -9.979 1.00 0.00 N ATOM 1261 CA SER A 84 -8.930 2.327 -8.781 1.00 0.00 C ATOM 1262 C SER A 84 -7.969 3.456 -9.145 1.00 0.00 C ATOM 1263 O SER A 84 -6.945 3.221 -9.786 1.00 0.00 O ATOM 1264 CB SER A 84 -8.523 1.495 -7.560 1.00 0.00 C ATOM 1265 OG SER A 84 -7.725 0.363 -7.867 1.00 0.00 O ATOM 0 H SER A 84 -8.162 1.419 -10.477 1.00 0.00 H new ATOM 0 HA SER A 84 -9.883 2.755 -8.471 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.977 2.133 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.424 1.161 -7.045 1.00 0.00 H new ATOM 0 HG SER A 84 -8.238 -0.256 -8.427 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.286 4.681 -8.737 1.00 0.00 N ATOM 1272 CA ASP A 85 -7.523 5.898 -9.051 1.00 0.00 C ATOM 1273 C ASP A 85 -6.194 6.044 -8.309 1.00 0.00 C ATOM 1274 O ASP A 85 -5.378 6.907 -8.648 1.00 0.00 O ATOM 1275 CB ASP A 85 -8.403 7.130 -8.746 1.00 0.00 C ATOM 1276 CG ASP A 85 -9.780 7.134 -9.428 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -10.021 6.320 -10.350 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -10.677 7.905 -9.004 1.00 0.00 O ATOM 0 H ASP A 85 -9.106 4.867 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.264 5.821 -10.107 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.549 7.195 -7.668 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.862 8.027 -9.049 1.00 0.00 H new ATOM 1283 N TRP A 86 -5.989 5.223 -7.283 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.815 5.218 -6.421 1.00 0.00 C ATOM 1285 C TRP A 86 -3.628 4.527 -7.069 1.00 0.00 C ATOM 1286 O TRP A 86 -3.793 3.712 -7.985 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.176 4.553 -5.092 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.316 5.185 -4.353 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.592 5.236 -4.792 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.359 5.701 -2.987 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.401 5.807 -3.847 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.703 6.079 -2.696 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.431 5.803 -1.929 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.104 6.489 -1.423 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -5.845 6.119 -0.621 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.183 6.458 -0.369 1.00 0.00 C ATOM 0 H TRP A 86 -6.670 4.511 -7.019 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.512 6.250 -6.247 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.421 3.508 -5.281 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.296 4.562 -4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -7.927 4.877 -5.754 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.393 6.005 -3.980 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.383 5.635 -2.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.116 6.827 -1.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.132 6.100 0.190 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.502 6.694 0.635 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.432 4.828 -6.568 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.181 4.267 -7.054 1.00 0.00 C ATOM 1309 C ILE A 87 -0.691 3.311 -5.974 1.00 0.00 C ATOM 1310 O ILE A 87 -0.637 3.684 -4.802 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.146 5.374 -7.351 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.745 6.566 -8.137 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.036 4.752 -8.119 1.00 0.00 C ATOM 1314 CD1 ILE A 87 0.227 7.739 -8.250 1.00 0.00 C ATOM 0 H ILE A 87 -2.307 5.483 -5.796 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.327 3.741 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 87 0.193 5.784 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.026 6.234 -9.136 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.658 6.901 -7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.775 5.523 -8.336 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.494 3.971 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.676 4.321 -9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.242 8.548 -8.810 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.488 8.092 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.130 7.415 -8.768 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.347 2.082 -6.356 1.00 0.00 N ATOM 1327 CA LEU A 88 0.142 1.055 -5.446 1.00 0.00 C ATOM 1328 C LEU A 88 1.656 0.975 -5.598 1.00 0.00 C ATOM 1329 O LEU A 88 2.142 0.805 -6.720 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.546 -0.277 -5.784 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.238 -1.388 -4.766 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.901 -1.085 -3.415 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.756 -2.728 -5.300 1.00 0.00 C ATOM 0 H LEU A 88 -0.402 1.769 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.089 1.291 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.624 -0.122 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.229 -0.602 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 88 0.841 -1.439 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.671 -1.883 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.523 -0.139 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.981 -1.018 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.538 -3.516 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.833 -2.666 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.266 -2.957 -6.246 1.00 0.00 H new ATOM 1345 N SER A 89 2.406 1.112 -4.506 1.00 0.00 N ATOM 1346 CA SER A 89 3.863 1.070 -4.532 1.00 0.00 C ATOM 1347 C SER A 89 4.411 0.263 -3.362 1.00 0.00 C ATOM 1348 O SER A 89 3.726 -0.026 -2.378 1.00 0.00 O ATOM 1349 CB SER A 89 4.378 2.516 -4.522 1.00 0.00 C ATOM 1350 OG SER A 89 5.744 2.655 -4.871 1.00 0.00 O ATOM 0 H SER A 89 2.016 1.256 -3.575 1.00 0.00 H new ATOM 0 HA SER A 89 4.210 0.567 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.777 3.107 -5.213 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.225 2.936 -3.528 1.00 0.00 H new ATOM 0 HG SER A 89 5.994 3.602 -4.843 1.00 0.00 H new ATOM 1356 N VAL A 90 5.690 -0.071 -3.484 1.00 0.00 N ATOM 1357 CA VAL A 90 6.474 -0.838 -2.530 1.00 0.00 C ATOM 1358 C VAL A 90 7.812 -0.105 -2.318 1.00 0.00 C ATOM 1359 O VAL A 90 8.789 -0.370 -3.024 1.00 0.00 O ATOM 1360 CB VAL A 90 6.568 -2.319 -2.982 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.907 -2.521 -4.470 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.539 -3.130 -2.106 1.00 0.00 C ATOM 0 H VAL A 90 6.237 0.203 -4.300 1.00 0.00 H new ATOM 0 HA VAL A 90 6.002 -0.897 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 90 5.555 -2.699 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.951 -3.587 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.138 -2.054 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.873 -2.065 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.573 -4.161 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.536 -2.693 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.197 -3.112 -1.071 1.00 0.00 H new ATOM 1372 N PRO A 91 7.869 0.876 -1.405 1.00 0.00 N ATOM 1373 CA PRO A 91 9.093 1.612 -1.108 1.00 0.00 C ATOM 1374 C PRO A 91 9.942 0.814 -0.096 1.00 0.00 C ATOM 1375 O PRO A 91 9.553 -0.278 0.332 1.00 0.00 O ATOM 1376 CB PRO A 91 8.581 2.923 -0.507 1.00 0.00 C ATOM 1377 CG PRO A 91 7.377 2.458 0.311 1.00 0.00 C ATOM 1378 CD PRO A 91 6.794 1.314 -0.524 1.00 0.00 C ATOM 0 HA PRO A 91 9.732 1.781 -1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.334 3.406 0.116 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.297 3.640 -1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.674 2.119 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.653 3.261 0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.455 0.498 0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 91 5.931 1.650 -1.098 1.00 0.00 H new ATOM 1386 N ALA A 92 11.052 1.408 0.354 1.00 0.00 N ATOM 1387 CA ALA A 92 12.006 0.871 1.321 1.00 0.00 C ATOM 1388 C ALA A 92 12.480 -0.533 0.974 1.00 0.00 C ATOM 1389 O ALA A 92 13.201 -0.661 -0.039 1.00 0.00 O ATOM 1390 CB ALA A 92 11.451 0.995 2.748 1.00 0.00 C ATOM 0 H ALA A 92 11.322 2.336 0.030 1.00 0.00 H new ATOM 0 HA ALA A 92 12.909 1.480 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.174 0.590 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.267 2.045 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.517 0.438 2.825 1.00 0.00 H new TER 1396 ALA A 92