USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 60 SER OG : rot -115:sc= 0.352 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.0909 K(o=0.44,f=-2!) USER MOD Set 2.1: A 55 SER OG : rot -170:sc= 0.953 USER MOD Set 2.2: A 83 THR OG1 : rot 102:sc= 1.14 USER MOD Set 3.1: A 29 MET CE :methyl -147:sc= -0.253 (180deg=0) USER MOD Set 3.2: A 32 THR OG1 : rot 150:sc= 0.00576 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0193 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 44:sc= 0.104 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.861 K(o=-0.86,f=-1.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.000915 X(o=-0.00091,f=-0.42) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0361 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 174:sc= -1.99 (180deg=-2.14) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 66 HIS : no HE2:sc= -6.74! C(o=-6.7!,f=-13!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -3.75! C(o=-4.5!,f=-3.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -120:sc= -3.08! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -157:sc= -0.41 (180deg=-1.38) USER MOD Single : A 85 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 34:sc= 0.227 USER MOD Single : A 98 SER OG : rot 19:sc= 0.307 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.497 -3.730 22.462 1.00 0.00 N ATOM 2 CA GLY A 1 -16.316 -4.569 22.570 1.00 0.00 C ATOM 3 C GLY A 1 -15.433 -4.437 21.328 1.00 0.00 C ATOM 4 O GLY A 1 -15.292 -3.347 20.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.638 -3.213 23.353 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.371 -3.052 21.684 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.329 -4.324 22.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.747 -4.289 23.456 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.615 -5.609 22.699 1.00 0.00 H new ATOM 8 N SER A 2 -14.861 -5.562 20.925 1.00 0.00 N ATOM 9 CA SER A 2 -13.996 -5.585 19.758 1.00 0.00 C ATOM 10 C SER A 2 -14.809 -5.934 18.510 1.00 0.00 C ATOM 11 O SER A 2 -15.919 -6.455 18.613 1.00 0.00 O ATOM 12 CB SER A 2 -12.851 -6.584 19.942 1.00 0.00 C ATOM 13 OG SER A 2 -12.058 -6.282 21.086 1.00 0.00 O ATOM 0 H SER A 2 -14.980 -6.464 21.386 1.00 0.00 H new ATOM 0 HA SER A 2 -13.562 -4.593 19.634 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.260 -7.590 20.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.221 -6.581 19.053 1.00 0.00 H new ATOM 0 HG SER A 2 -11.339 -6.943 21.170 1.00 0.00 H new ATOM 19 N SER A 3 -14.226 -5.632 17.359 1.00 0.00 N ATOM 20 CA SER A 3 -14.882 -5.907 16.093 1.00 0.00 C ATOM 21 C SER A 3 -14.366 -7.225 15.511 1.00 0.00 C ATOM 22 O SER A 3 -15.131 -8.172 15.336 1.00 0.00 O ATOM 23 CB SER A 3 -14.662 -4.765 15.099 1.00 0.00 C ATOM 24 OG SER A 3 -15.698 -3.790 15.168 1.00 0.00 O ATOM 0 H SER A 3 -13.306 -5.199 17.277 1.00 0.00 H new ATOM 0 HA SER A 3 -15.953 -5.993 16.275 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.702 -4.289 15.300 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.611 -5.169 14.088 1.00 0.00 H new ATOM 0 HG SER A 3 -15.520 -3.077 14.520 1.00 0.00 H new ATOM 30 N GLY A 4 -13.072 -7.242 15.227 1.00 0.00 N ATOM 31 CA GLY A 4 -12.445 -8.428 14.668 1.00 0.00 C ATOM 32 C GLY A 4 -11.198 -8.816 15.465 1.00 0.00 C ATOM 33 O GLY A 4 -11.299 -9.237 16.616 1.00 0.00 O ATOM 0 H GLY A 4 -12.441 -6.454 15.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.155 -9.255 14.671 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.174 -8.245 13.628 1.00 0.00 H new ATOM 37 N SER A 5 -10.051 -8.660 14.821 1.00 0.00 N ATOM 38 CA SER A 5 -8.785 -8.988 15.455 1.00 0.00 C ATOM 39 C SER A 5 -7.828 -7.799 15.359 1.00 0.00 C ATOM 40 O SER A 5 -7.267 -7.366 16.365 1.00 0.00 O ATOM 41 CB SER A 5 -8.156 -10.229 14.819 1.00 0.00 C ATOM 42 OG SER A 5 -7.548 -11.076 15.789 1.00 0.00 O ATOM 0 H SER A 5 -9.972 -8.311 13.866 1.00 0.00 H new ATOM 0 HA SER A 5 -8.975 -9.208 16.505 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.921 -10.787 14.279 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.409 -9.922 14.087 1.00 0.00 H new ATOM 0 HG SER A 5 -7.160 -11.858 15.343 1.00 0.00 H new ATOM 48 N SER A 6 -7.669 -7.304 14.140 1.00 0.00 N ATOM 49 CA SER A 6 -6.789 -6.174 13.900 1.00 0.00 C ATOM 50 C SER A 6 -5.357 -6.530 14.304 1.00 0.00 C ATOM 51 O SER A 6 -5.133 -7.518 15.002 1.00 0.00 O ATOM 52 CB SER A 6 -7.263 -4.935 14.663 1.00 0.00 C ATOM 53 OG SER A 6 -8.664 -4.721 14.516 1.00 0.00 O ATOM 0 H SER A 6 -8.135 -7.665 13.308 1.00 0.00 H new ATOM 0 HA SER A 6 -6.812 -5.943 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.022 -5.046 15.720 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.723 -4.059 14.304 1.00 0.00 H new ATOM 0 HG SER A 6 -8.927 -3.922 15.019 1.00 0.00 H new ATOM 59 N GLY A 7 -4.425 -5.706 13.848 1.00 0.00 N ATOM 60 CA GLY A 7 -3.021 -5.922 14.153 1.00 0.00 C ATOM 61 C GLY A 7 -2.125 -5.095 13.229 1.00 0.00 C ATOM 62 O GLY A 7 -2.426 -4.934 12.047 1.00 0.00 O ATOM 0 H GLY A 7 -4.615 -4.888 13.270 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.825 -5.653 15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.781 -6.980 14.047 1.00 0.00 H new ATOM 66 N SER A 8 -1.042 -4.591 13.803 1.00 0.00 N ATOM 67 CA SER A 8 -0.101 -3.784 13.046 1.00 0.00 C ATOM 68 C SER A 8 1.059 -4.654 12.556 1.00 0.00 C ATOM 69 O SER A 8 1.285 -5.744 13.078 1.00 0.00 O ATOM 70 CB SER A 8 0.427 -2.620 13.887 1.00 0.00 C ATOM 71 OG SER A 8 1.403 -1.854 13.185 1.00 0.00 O ATOM 0 H SER A 8 -0.796 -4.726 14.784 1.00 0.00 H new ATOM 0 HA SER A 8 -0.623 -3.367 12.185 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.403 -1.974 14.174 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.863 -3.007 14.808 1.00 0.00 H new ATOM 0 HG SER A 8 1.098 -1.698 12.267 1.00 0.00 H new ATOM 77 N VAL A 9 1.763 -4.138 11.559 1.00 0.00 N ATOM 78 CA VAL A 9 2.894 -4.854 10.993 1.00 0.00 C ATOM 79 C VAL A 9 4.096 -3.912 10.905 1.00 0.00 C ATOM 80 O VAL A 9 3.943 -2.695 10.996 1.00 0.00 O ATOM 81 CB VAL A 9 2.507 -5.459 9.642 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.649 -4.485 8.831 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.749 -5.882 8.855 1.00 0.00 C ATOM 0 H VAL A 9 1.572 -3.233 11.129 1.00 0.00 H new ATOM 0 HA VAL A 9 3.180 -5.686 11.636 1.00 0.00 H new ATOM 0 HB VAL A 9 1.911 -6.352 9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.388 -4.939 7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.739 -4.254 9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.209 -3.567 8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.446 -6.309 7.899 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.382 -5.012 8.680 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.305 -6.627 9.425 1.00 0.00 H new ATOM 93 N SER A 10 5.265 -4.510 10.728 1.00 0.00 N ATOM 94 CA SER A 10 6.492 -3.740 10.626 1.00 0.00 C ATOM 95 C SER A 10 7.368 -4.297 9.502 1.00 0.00 C ATOM 96 O SER A 10 7.706 -5.480 9.502 1.00 0.00 O ATOM 97 CB SER A 10 7.259 -3.748 11.949 1.00 0.00 C ATOM 98 OG SER A 10 8.558 -3.177 11.817 1.00 0.00 O ATOM 0 H SER A 10 5.388 -5.520 10.653 1.00 0.00 H new ATOM 0 HA SER A 10 6.229 -2.708 10.396 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.694 -3.194 12.699 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.348 -4.773 12.310 1.00 0.00 H new ATOM 0 HG SER A 10 9.015 -3.199 12.684 1.00 0.00 H new ATOM 104 N LEU A 11 7.711 -3.419 8.571 1.00 0.00 N ATOM 105 CA LEU A 11 8.541 -3.809 7.443 1.00 0.00 C ATOM 106 C LEU A 11 9.874 -3.062 7.516 1.00 0.00 C ATOM 107 O LEU A 11 9.944 -1.958 8.053 1.00 0.00 O ATOM 108 CB LEU A 11 7.789 -3.599 6.127 1.00 0.00 C ATOM 109 CG LEU A 11 6.363 -4.151 6.074 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.699 -3.825 4.735 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.344 -5.651 6.374 1.00 0.00 C ATOM 0 H LEU A 11 7.429 -2.439 8.574 1.00 0.00 H new ATOM 0 HA LEU A 11 8.769 -4.874 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.751 -2.530 5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.366 -4.059 5.325 1.00 0.00 H new ATOM 0 HG LEU A 11 5.777 -3.661 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.686 -4.228 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.660 -2.744 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.276 -4.270 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.319 -6.018 6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.950 -6.177 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.750 -5.828 7.370 1.00 0.00 H new ATOM 123 N VAL A 12 10.900 -3.695 6.966 1.00 0.00 N ATOM 124 CA VAL A 12 12.228 -3.105 6.961 1.00 0.00 C ATOM 125 C VAL A 12 12.675 -2.877 5.516 1.00 0.00 C ATOM 126 O VAL A 12 13.007 -3.826 4.808 1.00 0.00 O ATOM 127 CB VAL A 12 13.195 -3.986 7.754 1.00 0.00 C ATOM 128 CG1 VAL A 12 14.633 -3.481 7.620 1.00 0.00 C ATOM 129 CG2 VAL A 12 12.780 -4.072 9.224 1.00 0.00 C ATOM 0 H VAL A 12 10.838 -4.611 6.521 1.00 0.00 H new ATOM 0 HA VAL A 12 12.216 -2.133 7.454 1.00 0.00 H new ATOM 0 HB VAL A 12 13.152 -4.991 7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 12 15.300 -4.125 8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.928 -3.496 6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.698 -2.462 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.484 -4.704 9.765 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.780 -3.073 9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.780 -4.500 9.295 1.00 0.00 H new ATOM 139 N GLY A 13 12.670 -1.612 5.121 1.00 0.00 N ATOM 140 CA GLY A 13 13.070 -1.247 3.773 1.00 0.00 C ATOM 141 C GLY A 13 13.061 0.272 3.590 1.00 0.00 C ATOM 142 O GLY A 13 12.344 0.981 4.295 1.00 0.00 O ATOM 0 H GLY A 13 12.395 -0.827 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.068 -1.635 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.394 -1.708 3.052 1.00 0.00 H new ATOM 146 N PRO A 14 13.887 0.739 2.615 1.00 0.00 N ATOM 147 CA PRO A 14 13.980 2.160 2.331 1.00 0.00 C ATOM 148 C PRO A 14 12.747 2.649 1.569 1.00 0.00 C ATOM 149 O PRO A 14 12.589 3.847 1.340 1.00 0.00 O ATOM 150 CB PRO A 14 15.269 2.320 1.541 1.00 0.00 C ATOM 151 CG PRO A 14 15.608 0.935 1.013 1.00 0.00 C ATOM 152 CD PRO A 14 14.750 -0.072 1.761 1.00 0.00 C ATOM 0 HA PRO A 14 14.004 2.769 3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.141 3.029 0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.070 2.704 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.417 0.878 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.666 0.719 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.165 -0.683 1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.363 -0.754 2.351 1.00 0.00 H new ATOM 160 N ALA A 15 11.905 1.697 1.197 1.00 0.00 N ATOM 161 CA ALA A 15 10.690 2.015 0.465 1.00 0.00 C ATOM 162 C ALA A 15 10.163 0.750 -0.215 1.00 0.00 C ATOM 163 O ALA A 15 8.985 0.418 -0.088 1.00 0.00 O ATOM 164 CB ALA A 15 10.976 3.138 -0.535 1.00 0.00 C ATOM 0 H ALA A 15 12.040 0.704 1.389 1.00 0.00 H new ATOM 0 HA ALA A 15 9.915 2.371 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.065 3.377 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.320 4.023 0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.747 2.815 -1.234 1.00 0.00 H new ATOM 170 N PRO A 16 11.084 0.060 -0.940 1.00 0.00 N ATOM 171 CA PRO A 16 10.724 -1.161 -1.640 1.00 0.00 C ATOM 172 C PRO A 16 10.569 -2.328 -0.662 1.00 0.00 C ATOM 173 O PRO A 16 11.451 -3.178 -0.561 1.00 0.00 O ATOM 174 CB PRO A 16 11.837 -1.378 -2.652 1.00 0.00 C ATOM 175 CG PRO A 16 13.007 -0.536 -2.170 1.00 0.00 C ATOM 176 CD PRO A 16 12.487 0.424 -1.112 1.00 0.00 C ATOM 0 HA PRO A 16 9.758 -1.090 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.112 -2.431 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.522 -1.074 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.790 -1.172 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.449 0.014 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.040 0.322 -0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.591 1.461 -1.432 1.00 0.00 H new ATOM 184 N TRP A 17 9.441 -2.330 0.033 1.00 0.00 N ATOM 185 CA TRP A 17 9.159 -3.378 0.999 1.00 0.00 C ATOM 186 C TRP A 17 8.868 -4.667 0.227 1.00 0.00 C ATOM 187 O TRP A 17 9.031 -5.764 0.759 1.00 0.00 O ATOM 188 CB TRP A 17 8.018 -2.971 1.933 1.00 0.00 C ATOM 189 CG TRP A 17 7.966 -1.472 2.235 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.332 -0.513 1.547 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.603 -0.795 3.339 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.512 0.727 2.124 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.309 0.550 3.249 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.400 -1.303 4.380 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.773 1.499 4.168 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.855 -0.342 5.291 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.569 1.016 5.214 1.00 0.00 C ATOM 0 H TRP A 17 8.712 -1.622 -0.054 1.00 0.00 H new ATOM 0 HA TRP A 17 10.019 -3.546 1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.071 -3.274 1.487 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.118 -3.517 2.871 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.753 -0.689 0.653 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.131 1.611 1.787 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.642 -2.352 4.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.530 2.547 4.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.471 -0.680 6.111 1.00 0.00 H new ATOM 0 HH2 TRP A 17 9.959 1.696 5.957 1.00 0.00 H new ATOM 208 N GLY A 18 8.444 -4.492 -1.016 1.00 0.00 N ATOM 209 CA GLY A 18 8.129 -5.627 -1.866 1.00 0.00 C ATOM 210 C GLY A 18 6.620 -5.742 -2.092 1.00 0.00 C ATOM 211 O GLY A 18 6.150 -6.706 -2.694 1.00 0.00 O ATOM 0 H GLY A 18 8.311 -3.581 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.637 -5.520 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.502 -6.543 -1.408 1.00 0.00 H new ATOM 215 N PHE A 19 5.903 -4.744 -1.597 1.00 0.00 N ATOM 216 CA PHE A 19 4.457 -4.720 -1.737 1.00 0.00 C ATOM 217 C PHE A 19 3.990 -3.417 -2.389 1.00 0.00 C ATOM 218 O PHE A 19 4.721 -2.428 -2.400 1.00 0.00 O ATOM 219 CB PHE A 19 3.869 -4.810 -0.327 1.00 0.00 C ATOM 220 CG PHE A 19 3.886 -3.486 0.440 1.00 0.00 C ATOM 221 CD1 PHE A 19 3.082 -2.462 0.046 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.704 -3.333 1.515 1.00 0.00 C ATOM 223 CE1 PHE A 19 3.098 -1.233 0.758 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.720 -2.105 2.227 1.00 0.00 C ATOM 225 CZ PHE A 19 3.917 -1.081 1.833 1.00 0.00 C ATOM 0 H PHE A 19 6.297 -3.946 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 19 4.131 -5.547 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.841 -5.165 -0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.427 -5.554 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.432 -2.583 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.342 -4.146 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.460 -0.419 0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.370 -1.984 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.930 -0.146 2.374 1.00 0.00 H new ATOM 235 N ARG A 20 2.775 -3.459 -2.917 1.00 0.00 N ATOM 236 CA ARG A 20 2.202 -2.294 -3.569 1.00 0.00 C ATOM 237 C ARG A 20 0.862 -1.931 -2.927 1.00 0.00 C ATOM 238 O ARG A 20 0.377 -2.644 -2.049 1.00 0.00 O ATOM 239 CB ARG A 20 1.992 -2.547 -5.063 1.00 0.00 C ATOM 240 CG ARG A 20 3.272 -2.265 -5.852 1.00 0.00 C ATOM 241 CD ARG A 20 2.991 -1.348 -7.044 1.00 0.00 C ATOM 242 NE ARG A 20 3.866 -0.156 -6.984 1.00 0.00 N ATOM 243 CZ ARG A 20 5.197 -0.193 -7.137 1.00 0.00 C ATOM 244 NH1 ARG A 20 5.814 -1.361 -7.360 1.00 0.00 N ATOM 245 NH2 ARG A 20 5.911 0.939 -7.067 1.00 0.00 N ATOM 0 H ARG A 20 2.172 -4.282 -2.906 1.00 0.00 H new ATOM 0 HA ARG A 20 2.902 -1.468 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.684 -3.581 -5.221 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.186 -1.914 -5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.011 -1.802 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.701 -3.203 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.161 -1.887 -7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.945 -1.042 -7.039 1.00 0.00 H new ATOM 0 HE ARG A 20 3.429 0.750 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.271 -2.223 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.827 -1.389 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.441 1.828 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.924 0.911 -7.183 1.00 0.00 H new ATOM 259 N LEU A 21 0.300 -0.824 -3.389 1.00 0.00 N ATOM 260 CA LEU A 21 -0.975 -0.358 -2.871 1.00 0.00 C ATOM 261 C LEU A 21 -1.854 0.106 -4.034 1.00 0.00 C ATOM 262 O LEU A 21 -1.346 0.548 -5.063 1.00 0.00 O ATOM 263 CB LEU A 21 -0.759 0.711 -1.798 1.00 0.00 C ATOM 264 CG LEU A 21 -0.165 0.223 -0.475 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.038 1.387 0.497 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.022 -0.889 0.133 1.00 0.00 C ATOM 0 H LEU A 21 0.705 -0.236 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.505 -1.171 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.103 1.480 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.717 1.187 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 21 0.818 -0.202 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.461 1.013 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.719 2.115 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.921 1.864 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.578 -1.218 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.028 -0.513 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.072 -1.730 -0.559 1.00 0.00 H new ATOM 278 N GLN A 22 -3.158 -0.011 -3.831 1.00 0.00 N ATOM 279 CA GLN A 22 -4.113 0.391 -4.850 1.00 0.00 C ATOM 280 C GLN A 22 -5.431 0.821 -4.202 1.00 0.00 C ATOM 281 O GLN A 22 -5.799 0.318 -3.142 1.00 0.00 O ATOM 282 CB GLN A 22 -4.341 -0.733 -5.862 1.00 0.00 C ATOM 283 CG GLN A 22 -4.693 -2.044 -5.155 1.00 0.00 C ATOM 284 CD GLN A 22 -5.282 -3.057 -6.139 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.372 -2.821 -7.333 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.678 -4.193 -5.574 1.00 0.00 N ATOM 0 H GLN A 22 -3.576 -0.378 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.701 1.243 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.145 -0.456 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.444 -0.871 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.800 -2.461 -4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.408 -1.850 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.574 -4.326 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.086 -4.932 -6.146 1.00 0.00 H new ATOM 295 N GLY A 23 -6.105 1.748 -4.867 1.00 0.00 N ATOM 296 CA GLY A 23 -7.374 2.252 -4.369 1.00 0.00 C ATOM 297 C GLY A 23 -7.221 3.668 -3.811 1.00 0.00 C ATOM 298 O GLY A 23 -6.335 4.412 -4.230 1.00 0.00 O ATOM 0 H GLY A 23 -5.796 2.163 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.110 2.252 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.752 1.589 -3.590 1.00 0.00 H new ATOM 302 N GLY A 24 -8.097 3.998 -2.873 1.00 0.00 N ATOM 303 CA GLY A 24 -8.070 5.312 -2.253 1.00 0.00 C ATOM 304 C GLY A 24 -9.354 6.087 -2.556 1.00 0.00 C ATOM 305 O GLY A 24 -10.203 5.618 -3.311 1.00 0.00 O ATOM 0 H GLY A 24 -8.830 3.378 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.950 5.207 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.208 5.872 -2.616 1.00 0.00 H new ATOM 309 N LYS A 25 -9.454 7.262 -1.951 1.00 0.00 N ATOM 310 CA LYS A 25 -10.620 8.107 -2.146 1.00 0.00 C ATOM 311 C LYS A 25 -10.684 8.550 -3.609 1.00 0.00 C ATOM 312 O LYS A 25 -11.751 8.902 -4.109 1.00 0.00 O ATOM 313 CB LYS A 25 -10.612 9.269 -1.151 1.00 0.00 C ATOM 314 CG LYS A 25 -11.905 9.301 -0.335 1.00 0.00 C ATOM 315 CD LYS A 25 -11.789 10.275 0.840 1.00 0.00 C ATOM 316 CE LYS A 25 -11.719 11.722 0.347 1.00 0.00 C ATOM 317 NZ LYS A 25 -11.129 12.595 1.386 1.00 0.00 N ATOM 0 H LYS A 25 -8.747 7.648 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.534 7.549 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.757 9.173 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.493 10.211 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.736 9.596 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.129 8.301 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.645 10.154 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.898 10.042 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.121 11.774 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.718 12.074 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.089 13.573 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.715 12.559 2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.168 12.268 1.610 1.00 0.00 H new ATOM 331 N ASP A 26 -9.527 8.519 -4.255 1.00 0.00 N ATOM 332 CA ASP A 26 -9.438 8.913 -5.650 1.00 0.00 C ATOM 333 C ASP A 26 -9.938 7.767 -6.532 1.00 0.00 C ATOM 334 O ASP A 26 -10.534 8.002 -7.582 1.00 0.00 O ATOM 335 CB ASP A 26 -7.991 9.217 -6.045 1.00 0.00 C ATOM 336 CG ASP A 26 -7.733 9.282 -7.552 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.357 10.151 -8.198 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.916 8.462 -8.023 1.00 0.00 O ATOM 0 H ASP A 26 -8.644 8.227 -3.837 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.045 9.808 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.701 10.169 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.344 8.453 -5.613 1.00 0.00 H new ATOM 343 N PHE A 27 -9.676 6.552 -6.073 1.00 0.00 N ATOM 344 CA PHE A 27 -10.092 5.369 -6.808 1.00 0.00 C ATOM 345 C PHE A 27 -11.452 4.869 -6.316 1.00 0.00 C ATOM 346 O PHE A 27 -11.837 3.734 -6.592 1.00 0.00 O ATOM 347 CB PHE A 27 -9.041 4.289 -6.548 1.00 0.00 C ATOM 348 CG PHE A 27 -7.731 4.499 -7.310 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.831 5.420 -6.873 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.467 3.765 -8.424 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.615 5.616 -7.581 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.251 3.961 -9.131 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.351 4.882 -8.695 1.00 0.00 C ATOM 0 H PHE A 27 -9.181 6.361 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.182 5.602 -7.869 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.827 4.255 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.457 3.319 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.041 6.002 -5.988 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.182 3.033 -8.771 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.900 6.348 -7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.041 3.378 -10.016 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.427 5.031 -9.233 1.00 0.00 H new ATOM 363 N ASN A 28 -12.143 5.741 -5.596 1.00 0.00 N ATOM 364 CA ASN A 28 -13.452 5.402 -5.064 1.00 0.00 C ATOM 365 C ASN A 28 -13.372 4.052 -4.348 1.00 0.00 C ATOM 366 O ASN A 28 -14.217 3.183 -4.560 1.00 0.00 O ATOM 367 CB ASN A 28 -14.488 5.284 -6.184 1.00 0.00 C ATOM 368 CG ASN A 28 -15.183 6.624 -6.432 1.00 0.00 C ATOM 369 OD1 ASN A 28 -14.630 7.689 -6.212 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.422 6.512 -6.901 1.00 0.00 N ATOM 0 H ASN A 28 -11.821 6.682 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.753 6.193 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -14.002 4.948 -7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -15.229 4.529 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.970 7.349 -7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.825 5.589 -7.063 1.00 0.00 H new ATOM 377 N MET A 29 -12.350 3.919 -3.516 1.00 0.00 N ATOM 378 CA MET A 29 -12.150 2.690 -2.768 1.00 0.00 C ATOM 379 C MET A 29 -11.081 2.873 -1.688 1.00 0.00 C ATOM 380 O MET A 29 -10.414 3.905 -1.639 1.00 0.00 O ATOM 381 CB MET A 29 -11.724 1.574 -3.724 1.00 0.00 C ATOM 382 CG MET A 29 -10.205 1.390 -3.710 1.00 0.00 C ATOM 383 SD MET A 29 -9.720 0.223 -4.971 1.00 0.00 S ATOM 384 CE MET A 29 -9.254 -1.163 -3.947 1.00 0.00 C ATOM 0 H MET A 29 -11.652 4.642 -3.343 1.00 0.00 H new ATOM 0 HA MET A 29 -13.089 2.426 -2.282 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.210 0.641 -3.439 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.056 1.810 -4.735 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.713 2.348 -3.880 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.882 1.035 -2.731 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.436 -1.706 -4.420 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.932 -0.802 -2.970 1.00 0.00 H new ATOM 0 HE3 MET A 29 -10.109 -1.828 -3.824 1.00 0.00 H new ATOM 394 N PRO A 30 -10.949 1.828 -0.827 1.00 0.00 N ATOM 395 CA PRO A 30 -9.973 1.864 0.248 1.00 0.00 C ATOM 396 C PRO A 30 -8.557 1.646 -0.289 1.00 0.00 C ATOM 397 O PRO A 30 -8.311 1.806 -1.483 1.00 0.00 O ATOM 398 CB PRO A 30 -10.415 0.779 1.217 1.00 0.00 C ATOM 399 CG PRO A 30 -11.343 -0.130 0.428 1.00 0.00 C ATOM 400 CD PRO A 30 -11.722 0.590 -0.855 1.00 0.00 C ATOM 0 HA PRO A 30 -9.932 2.832 0.747 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.558 0.225 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.928 1.209 2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.850 -1.076 0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.233 -0.365 1.011 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.478 -0.009 -1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.792 0.792 -0.894 1.00 0.00 H new ATOM 408 N LEU A 31 -7.663 1.284 0.620 1.00 0.00 N ATOM 409 CA LEU A 31 -6.278 1.043 0.253 1.00 0.00 C ATOM 410 C LEU A 31 -5.936 -0.426 0.509 1.00 0.00 C ATOM 411 O LEU A 31 -5.772 -0.838 1.657 1.00 0.00 O ATOM 412 CB LEU A 31 -5.353 2.025 0.974 1.00 0.00 C ATOM 413 CG LEU A 31 -5.495 3.496 0.577 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.544 4.396 1.813 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.386 3.911 -0.392 1.00 0.00 C ATOM 0 H LEU A 31 -7.871 1.152 1.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.129 1.225 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.530 1.940 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.322 1.719 0.796 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.443 3.619 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.645 5.436 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.397 4.118 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.625 4.277 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.510 4.961 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.415 3.769 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.442 3.299 -1.292 1.00 0.00 H new ATOM 427 N THR A 32 -5.838 -1.177 -0.578 1.00 0.00 N ATOM 428 CA THR A 32 -5.518 -2.591 -0.485 1.00 0.00 C ATOM 429 C THR A 32 -4.140 -2.867 -1.090 1.00 0.00 C ATOM 430 O THR A 32 -3.566 -2.006 -1.755 1.00 0.00 O ATOM 431 CB THR A 32 -6.645 -3.376 -1.158 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.189 -2.460 -2.105 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.808 -3.663 -0.206 1.00 0.00 C ATOM 0 H THR A 32 -5.975 -0.832 -1.528 1.00 0.00 H new ATOM 0 HA THR A 32 -5.453 -2.914 0.554 1.00 0.00 H new ATOM 0 HB THR A 32 -6.252 -4.316 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.546 -2.955 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.581 -4.222 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.449 -4.249 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.224 -2.722 0.155 1.00 0.00 H new ATOM 441 N ILE A 33 -3.649 -4.071 -0.837 1.00 0.00 N ATOM 442 CA ILE A 33 -2.349 -4.472 -1.349 1.00 0.00 C ATOM 443 C ILE A 33 -2.481 -4.850 -2.825 1.00 0.00 C ATOM 444 O ILE A 33 -3.008 -5.912 -3.153 1.00 0.00 O ATOM 445 CB ILE A 33 -1.750 -5.580 -0.481 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.602 -5.121 0.971 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.425 -6.077 -1.063 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.467 -4.104 1.111 1.00 0.00 C ATOM 0 H ILE A 33 -4.128 -4.782 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.645 -3.641 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.439 -6.424 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.537 -4.677 1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.405 -5.982 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.021 -6.864 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.593 -6.471 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.284 -5.250 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.383 -3.794 2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.470 -4.559 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.679 -3.234 0.489 1.00 0.00 H new ATOM 460 N SER A 34 -1.993 -3.960 -3.677 1.00 0.00 N ATOM 461 CA SER A 34 -2.050 -4.187 -5.111 1.00 0.00 C ATOM 462 C SER A 34 -1.379 -5.518 -5.457 1.00 0.00 C ATOM 463 O SER A 34 -2.007 -6.400 -6.041 1.00 0.00 O ATOM 464 CB SER A 34 -1.384 -3.042 -5.877 1.00 0.00 C ATOM 465 OG SER A 34 -0.563 -3.517 -6.940 1.00 0.00 O ATOM 0 H SER A 34 -1.556 -3.080 -3.402 1.00 0.00 H new ATOM 0 HA SER A 34 -3.098 -4.227 -5.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.151 -2.381 -6.279 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.780 -2.449 -5.190 1.00 0.00 H new ATOM 0 HG SER A 34 -0.157 -2.756 -7.405 1.00 0.00 H new ATOM 471 N SER A 35 -0.113 -5.621 -5.082 1.00 0.00 N ATOM 472 CA SER A 35 0.650 -6.829 -5.346 1.00 0.00 C ATOM 473 C SER A 35 1.763 -6.982 -4.307 1.00 0.00 C ATOM 474 O SER A 35 1.897 -6.153 -3.409 1.00 0.00 O ATOM 475 CB SER A 35 1.240 -6.811 -6.757 1.00 0.00 C ATOM 476 OG SER A 35 0.614 -7.767 -7.609 1.00 0.00 O ATOM 0 H SER A 35 0.404 -4.887 -4.597 1.00 0.00 H new ATOM 0 HA SER A 35 -0.025 -7.682 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.127 -5.815 -7.185 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.309 -7.016 -6.706 1.00 0.00 H new ATOM 0 HG SER A 35 1.017 -7.724 -8.501 1.00 0.00 H new ATOM 482 N LEU A 36 2.534 -8.048 -4.465 1.00 0.00 N ATOM 483 CA LEU A 36 3.631 -8.321 -3.552 1.00 0.00 C ATOM 484 C LEU A 36 4.747 -9.048 -4.305 1.00 0.00 C ATOM 485 O LEU A 36 4.525 -9.574 -5.395 1.00 0.00 O ATOM 486 CB LEU A 36 3.128 -9.075 -2.320 1.00 0.00 C ATOM 487 CG LEU A 36 3.330 -8.373 -0.975 1.00 0.00 C ATOM 488 CD1 LEU A 36 2.292 -8.839 0.047 1.00 0.00 C ATOM 489 CD2 LEU A 36 4.760 -8.562 -0.467 1.00 0.00 C ATOM 0 H LEU A 36 2.421 -8.733 -5.212 1.00 0.00 H new ATOM 0 HA LEU A 36 4.054 -7.389 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.064 -9.272 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.629 -10.042 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 36 3.180 -7.303 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.458 -8.325 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.292 -8.610 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.386 -9.915 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.876 -8.053 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.963 -9.625 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.461 -8.142 -1.189 1.00 0.00 H new ATOM 501 N LYS A 37 5.923 -9.053 -3.695 1.00 0.00 N ATOM 502 CA LYS A 37 7.074 -9.707 -4.295 1.00 0.00 C ATOM 503 C LYS A 37 7.213 -11.117 -3.716 1.00 0.00 C ATOM 504 O LYS A 37 6.882 -11.350 -2.554 1.00 0.00 O ATOM 505 CB LYS A 37 8.327 -8.846 -4.126 1.00 0.00 C ATOM 506 CG LYS A 37 9.538 -9.503 -4.792 1.00 0.00 C ATOM 507 CD LYS A 37 10.480 -8.449 -5.378 1.00 0.00 C ATOM 508 CE LYS A 37 11.531 -9.096 -6.283 1.00 0.00 C ATOM 509 NZ LYS A 37 11.296 -8.724 -7.696 1.00 0.00 N ATOM 0 H LYS A 37 6.104 -8.615 -2.792 1.00 0.00 H new ATOM 0 HA LYS A 37 6.933 -9.816 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.157 -7.861 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.528 -8.695 -3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.074 -10.110 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.203 -10.176 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.905 -7.718 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.973 -7.908 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.528 -8.778 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.495 -10.180 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.017 -9.171 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.352 -9.049 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.353 -7.690 -7.797 1.00 0.00 H new ATOM 523 N ASP A 38 7.704 -12.019 -4.552 1.00 0.00 N ATOM 524 CA ASP A 38 7.891 -13.399 -4.138 1.00 0.00 C ATOM 525 C ASP A 38 8.738 -13.435 -2.864 1.00 0.00 C ATOM 526 O ASP A 38 9.917 -13.084 -2.888 1.00 0.00 O ATOM 527 CB ASP A 38 8.623 -14.203 -5.214 1.00 0.00 C ATOM 528 CG ASP A 38 7.800 -14.503 -6.469 1.00 0.00 C ATOM 529 OD1 ASP A 38 7.851 -13.665 -7.395 1.00 0.00 O ATOM 530 OD2 ASP A 38 7.139 -15.564 -6.473 1.00 0.00 O ATOM 0 H ASP A 38 7.978 -11.821 -5.514 1.00 0.00 H new ATOM 0 HA ASP A 38 6.907 -13.836 -3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.519 -13.657 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.953 -15.147 -4.780 1.00 0.00 H new ATOM 535 N GLY A 39 8.104 -13.861 -1.782 1.00 0.00 N ATOM 536 CA GLY A 39 8.784 -13.947 -0.501 1.00 0.00 C ATOM 537 C GLY A 39 9.244 -12.565 -0.031 1.00 0.00 C ATOM 538 O GLY A 39 10.285 -12.439 0.612 1.00 0.00 O ATOM 0 H GLY A 39 7.126 -14.151 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.116 -14.384 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.644 -14.611 -0.586 1.00 0.00 H new ATOM 542 N GLY A 40 8.446 -11.564 -0.370 1.00 0.00 N ATOM 543 CA GLY A 40 8.758 -10.196 0.009 1.00 0.00 C ATOM 544 C GLY A 40 8.625 -10.002 1.520 1.00 0.00 C ATOM 545 O GLY A 40 8.270 -10.934 2.241 1.00 0.00 O ATOM 0 H GLY A 40 7.583 -11.672 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.773 -9.950 -0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.089 -9.510 -0.510 1.00 0.00 H new ATOM 549 N LYS A 41 8.915 -8.785 1.956 1.00 0.00 N ATOM 550 CA LYS A 41 8.831 -8.457 3.369 1.00 0.00 C ATOM 551 C LYS A 41 7.385 -8.618 3.841 1.00 0.00 C ATOM 552 O LYS A 41 7.116 -9.358 4.786 1.00 0.00 O ATOM 553 CB LYS A 41 9.412 -7.065 3.631 1.00 0.00 C ATOM 554 CG LYS A 41 10.940 -7.089 3.569 1.00 0.00 C ATOM 555 CD LYS A 41 11.551 -6.689 4.914 1.00 0.00 C ATOM 556 CE LYS A 41 12.211 -7.889 5.595 1.00 0.00 C ATOM 557 NZ LYS A 41 11.318 -8.453 6.631 1.00 0.00 N ATOM 0 H LYS A 41 9.208 -8.014 1.356 1.00 0.00 H new ATOM 0 HA LYS A 41 9.437 -9.147 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.025 -6.361 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.090 -6.711 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.280 -8.087 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.287 -6.408 2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.289 -5.901 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.776 -6.279 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.445 -8.653 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.155 -7.584 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.782 -9.267 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.116 -7.727 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.428 -8.762 6.191 1.00 0.00 H new ATOM 571 N ALA A 42 6.492 -7.913 3.162 1.00 0.00 N ATOM 572 CA ALA A 42 5.080 -7.969 3.500 1.00 0.00 C ATOM 573 C ALA A 42 4.666 -9.428 3.701 1.00 0.00 C ATOM 574 O ALA A 42 3.985 -9.756 4.671 1.00 0.00 O ATOM 575 CB ALA A 42 4.265 -7.277 2.406 1.00 0.00 C ATOM 0 H ALA A 42 6.719 -7.300 2.379 1.00 0.00 H new ATOM 0 HA ALA A 42 4.887 -7.440 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.206 -7.319 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.577 -6.236 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.431 -7.782 1.454 1.00 0.00 H new ATOM 581 N SER A 43 5.094 -10.266 2.767 1.00 0.00 N ATOM 582 CA SER A 43 4.776 -11.682 2.829 1.00 0.00 C ATOM 583 C SER A 43 5.281 -12.275 4.146 1.00 0.00 C ATOM 584 O SER A 43 4.580 -13.055 4.789 1.00 0.00 O ATOM 585 CB SER A 43 5.380 -12.435 1.642 1.00 0.00 C ATOM 586 OG SER A 43 5.095 -13.830 1.693 1.00 0.00 O ATOM 0 H SER A 43 5.658 -9.991 1.963 1.00 0.00 H new ATOM 0 HA SER A 43 3.693 -11.791 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.990 -12.019 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.460 -12.286 1.630 1.00 0.00 H new ATOM 0 HG SER A 43 5.496 -14.274 0.917 1.00 0.00 H new ATOM 592 N GLN A 44 6.493 -11.882 4.508 1.00 0.00 N ATOM 593 CA GLN A 44 7.101 -12.364 5.737 1.00 0.00 C ATOM 594 C GLN A 44 6.316 -11.861 6.950 1.00 0.00 C ATOM 595 O GLN A 44 6.358 -12.470 8.017 1.00 0.00 O ATOM 596 CB GLN A 44 8.570 -11.948 5.822 1.00 0.00 C ATOM 597 CG GLN A 44 9.479 -13.013 5.206 1.00 0.00 C ATOM 598 CD GLN A 44 10.910 -12.886 5.734 1.00 0.00 C ATOM 599 OE1 GLN A 44 11.318 -13.561 6.665 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.646 -11.985 5.090 1.00 0.00 N ATOM 0 H GLN A 44 7.071 -11.235 3.972 1.00 0.00 H new ATOM 0 HA GLN A 44 7.067 -13.453 5.734 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.713 -10.999 5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.846 -11.788 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.090 -14.005 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.478 -12.913 4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.242 -11.454 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.614 -11.825 5.367 1.00 0.00 H new ATOM 609 N ALA A 45 5.619 -10.753 6.746 1.00 0.00 N ATOM 610 CA ALA A 45 4.827 -10.160 7.809 1.00 0.00 C ATOM 611 C ALA A 45 3.418 -10.755 7.782 1.00 0.00 C ATOM 612 O ALA A 45 2.517 -10.259 8.457 1.00 0.00 O ATOM 613 CB ALA A 45 4.820 -8.638 7.654 1.00 0.00 C ATOM 0 H ALA A 45 5.587 -10.250 5.859 1.00 0.00 H new ATOM 0 HA ALA A 45 5.262 -10.386 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.225 -8.194 8.452 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.842 -8.262 7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.388 -8.373 6.689 1.00 0.00 H new ATOM 619 N HIS A 46 3.271 -11.810 6.994 1.00 0.00 N ATOM 620 CA HIS A 46 1.986 -12.478 6.870 1.00 0.00 C ATOM 621 C HIS A 46 0.973 -11.526 6.232 1.00 0.00 C ATOM 622 O HIS A 46 -0.199 -11.518 6.608 1.00 0.00 O ATOM 623 CB HIS A 46 1.522 -13.019 8.223 1.00 0.00 C ATOM 624 CG HIS A 46 2.302 -14.218 8.706 1.00 0.00 C ATOM 625 ND1 HIS A 46 1.746 -15.482 8.811 1.00 0.00 N ATOM 626 CD2 HIS A 46 3.599 -14.334 9.110 1.00 0.00 C ATOM 627 CE1 HIS A 46 2.676 -16.312 9.259 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.824 -15.599 9.445 1.00 0.00 N ATOM 0 H HIS A 46 4.020 -12.219 6.435 1.00 0.00 H new ATOM 0 HA HIS A 46 2.083 -13.343 6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.599 -12.225 8.966 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.468 -13.288 8.153 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.321 -13.532 9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.548 -17.368 9.445 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.709 -15.975 9.785 1.00 0.00 H new ATOM 636 N VAL A 47 1.460 -10.747 5.277 1.00 0.00 N ATOM 637 CA VAL A 47 0.611 -9.793 4.584 1.00 0.00 C ATOM 638 C VAL A 47 0.123 -10.412 3.272 1.00 0.00 C ATOM 639 O VAL A 47 0.924 -10.712 2.388 1.00 0.00 O ATOM 640 CB VAL A 47 1.362 -8.476 4.381 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.513 -7.477 3.591 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.800 -7.883 5.722 1.00 0.00 C ATOM 0 H VAL A 47 2.432 -10.757 4.967 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.270 -9.560 5.182 1.00 0.00 H new ATOM 0 HB VAL A 47 2.259 -8.688 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.070 -6.549 3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.273 -7.896 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.409 -7.273 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.332 -6.947 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.922 -7.693 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.458 -8.586 6.233 1.00 0.00 H new ATOM 652 N ARG A 48 -1.188 -10.583 3.187 1.00 0.00 N ATOM 653 CA ARG A 48 -1.791 -11.160 1.998 1.00 0.00 C ATOM 654 C ARG A 48 -2.451 -10.067 1.154 1.00 0.00 C ATOM 655 O ARG A 48 -2.783 -8.999 1.665 1.00 0.00 O ATOM 656 CB ARG A 48 -2.840 -12.211 2.367 1.00 0.00 C ATOM 657 CG ARG A 48 -2.214 -13.606 2.446 1.00 0.00 C ATOM 658 CD ARG A 48 -2.646 -14.329 3.723 1.00 0.00 C ATOM 659 NE ARG A 48 -2.122 -13.618 4.910 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.505 -13.873 6.168 1.00 0.00 C ATOM 661 NH1 ARG A 48 -3.417 -14.824 6.411 1.00 0.00 N ATOM 662 NH2 ARG A 48 -1.975 -13.177 7.184 1.00 0.00 N ATOM 0 H ARG A 48 -1.849 -10.332 3.922 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.998 -11.640 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.293 -11.957 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.639 -12.208 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.509 -14.191 1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.127 -13.523 2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.734 -14.381 3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.278 -15.355 3.712 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.425 -12.888 4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.820 -15.354 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.709 -15.018 7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.280 -12.453 6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.267 -13.371 8.142 1.00 0.00 H new ATOM 676 N ILE A 49 -2.620 -10.373 -0.124 1.00 0.00 N ATOM 677 CA ILE A 49 -3.233 -9.430 -1.044 1.00 0.00 C ATOM 678 C ILE A 49 -4.703 -9.237 -0.665 1.00 0.00 C ATOM 679 O ILE A 49 -5.412 -10.206 -0.399 1.00 0.00 O ATOM 680 CB ILE A 49 -3.026 -9.881 -2.491 1.00 0.00 C ATOM 681 CG1 ILE A 49 -1.554 -9.770 -2.894 1.00 0.00 C ATOM 682 CG2 ILE A 49 -3.940 -9.107 -3.443 1.00 0.00 C ATOM 683 CD1 ILE A 49 -1.409 -9.645 -4.412 1.00 0.00 C ATOM 0 H ILE A 49 -2.343 -11.260 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.752 -8.455 -0.966 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.302 -10.933 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.105 -8.903 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.010 -10.648 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.773 -9.447 -4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.981 -9.280 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.719 -8.042 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.353 -9.568 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.837 -10.525 -4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.933 -8.753 -4.755 1.00 0.00 H new ATOM 695 N GLY A 50 -5.117 -7.978 -0.652 1.00 0.00 N ATOM 696 CA GLY A 50 -6.490 -7.646 -0.310 1.00 0.00 C ATOM 697 C GLY A 50 -6.569 -7.002 1.076 1.00 0.00 C ATOM 698 O GLY A 50 -7.638 -6.569 1.503 1.00 0.00 O ATOM 0 H GLY A 50 -4.526 -7.176 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.900 -6.965 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.102 -8.548 -0.332 1.00 0.00 H new ATOM 702 N ASP A 51 -5.423 -6.958 1.739 1.00 0.00 N ATOM 703 CA ASP A 51 -5.349 -6.374 3.068 1.00 0.00 C ATOM 704 C ASP A 51 -5.557 -4.862 2.968 1.00 0.00 C ATOM 705 O ASP A 51 -4.858 -4.183 2.217 1.00 0.00 O ATOM 706 CB ASP A 51 -3.979 -6.621 3.702 1.00 0.00 C ATOM 707 CG ASP A 51 -3.684 -8.080 4.058 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.643 -8.881 4.009 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.507 -8.362 4.370 1.00 0.00 O ATOM 0 H ASP A 51 -4.538 -7.317 1.381 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.120 -6.837 3.683 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.209 -6.267 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.901 -6.019 4.607 1.00 0.00 H new ATOM 714 N VAL A 52 -6.523 -4.378 3.735 1.00 0.00 N ATOM 715 CA VAL A 52 -6.832 -2.958 3.743 1.00 0.00 C ATOM 716 C VAL A 52 -5.988 -2.262 4.812 1.00 0.00 C ATOM 717 O VAL A 52 -5.908 -2.729 5.947 1.00 0.00 O ATOM 718 CB VAL A 52 -8.335 -2.752 3.940 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.670 -1.265 4.083 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.131 -3.385 2.796 1.00 0.00 C ATOM 0 H VAL A 52 -7.102 -4.944 4.355 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.578 -2.506 2.784 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.623 -3.252 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.745 -1.146 4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.145 -0.855 4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.359 -0.734 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.196 -3.224 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.837 -2.927 1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.927 -4.455 2.760 1.00 0.00 H new ATOM 730 N VAL A 53 -5.378 -1.156 4.411 1.00 0.00 N ATOM 731 CA VAL A 53 -4.543 -0.391 5.320 1.00 0.00 C ATOM 732 C VAL A 53 -5.423 0.548 6.148 1.00 0.00 C ATOM 733 O VAL A 53 -5.865 1.586 5.656 1.00 0.00 O ATOM 734 CB VAL A 53 -3.455 0.346 4.537 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.473 1.042 5.483 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.722 -0.605 3.588 1.00 0.00 C ATOM 0 H VAL A 53 -5.446 -0.772 3.469 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.031 -1.055 6.017 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.939 1.114 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.710 1.558 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.010 1.764 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.999 0.300 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.954 -0.055 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.257 -1.406 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.433 -1.032 2.880 1.00 0.00 H new ATOM 746 N LEU A 54 -5.653 0.150 7.390 1.00 0.00 N ATOM 747 CA LEU A 54 -6.473 0.943 8.291 1.00 0.00 C ATOM 748 C LEU A 54 -5.748 2.250 8.616 1.00 0.00 C ATOM 749 O LEU A 54 -6.357 3.319 8.613 1.00 0.00 O ATOM 750 CB LEU A 54 -6.854 0.127 9.527 1.00 0.00 C ATOM 751 CG LEU A 54 -7.806 -1.047 9.290 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.779 -2.022 10.468 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.222 -0.551 8.988 1.00 0.00 C ATOM 0 H LEU A 54 -5.286 -0.711 7.794 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.415 1.211 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.940 -0.258 9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.311 0.798 10.254 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.462 -1.594 8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.465 -2.847 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.769 -2.412 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.084 -1.503 11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.879 -1.405 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.590 0.033 9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.206 0.072 8.094 1.00 0.00 H new ATOM 765 N SER A 55 -4.458 2.122 8.888 1.00 0.00 N ATOM 766 CA SER A 55 -3.643 3.281 9.215 1.00 0.00 C ATOM 767 C SER A 55 -2.279 3.170 8.532 1.00 0.00 C ATOM 768 O SER A 55 -1.941 2.125 7.978 1.00 0.00 O ATOM 769 CB SER A 55 -3.470 3.423 10.728 1.00 0.00 C ATOM 770 OG SER A 55 -3.166 2.177 11.350 1.00 0.00 O ATOM 0 H SER A 55 -3.956 1.234 8.889 1.00 0.00 H new ATOM 0 HA SER A 55 -4.153 4.173 8.850 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.673 4.136 10.936 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.384 3.831 11.161 1.00 0.00 H new ATOM 0 HG SER A 55 -3.219 2.276 12.324 1.00 0.00 H new ATOM 776 N ILE A 56 -1.531 4.262 8.595 1.00 0.00 N ATOM 777 CA ILE A 56 -0.211 4.301 7.990 1.00 0.00 C ATOM 778 C ILE A 56 0.734 5.101 8.889 1.00 0.00 C ATOM 779 O ILE A 56 0.832 6.320 8.764 1.00 0.00 O ATOM 780 CB ILE A 56 -0.293 4.832 6.558 1.00 0.00 C ATOM 781 CG1 ILE A 56 -1.089 3.878 5.664 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.102 5.113 5.996 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.456 4.548 4.338 1.00 0.00 C ATOM 0 H ILE A 56 -1.814 5.127 9.056 1.00 0.00 H new ATOM 0 HA ILE A 56 0.200 3.295 7.909 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.830 5.780 6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.503 2.980 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.996 3.562 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.015 5.489 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.601 5.858 6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.686 4.192 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.021 3.849 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.063 5.432 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.546 4.840 3.814 1.00 0.00 H new ATOM 795 N ASP A 57 1.406 4.381 9.776 1.00 0.00 N ATOM 796 CA ASP A 57 2.340 5.009 10.696 1.00 0.00 C ATOM 797 C ASP A 57 1.564 5.868 11.696 1.00 0.00 C ATOM 798 O ASP A 57 1.887 7.038 11.896 1.00 0.00 O ATOM 799 CB ASP A 57 3.320 5.918 9.951 1.00 0.00 C ATOM 800 CG ASP A 57 4.631 6.197 10.688 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.167 5.234 11.278 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.068 7.367 10.646 1.00 0.00 O ATOM 0 H ASP A 57 1.322 3.369 9.877 1.00 0.00 H new ATOM 0 HA ASP A 57 2.895 4.220 11.204 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.552 5.465 8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.827 6.868 9.746 1.00 0.00 H new ATOM 807 N GLY A 58 0.556 5.255 12.298 1.00 0.00 N ATOM 808 CA GLY A 58 -0.268 5.949 13.272 1.00 0.00 C ATOM 809 C GLY A 58 -1.193 6.958 12.588 1.00 0.00 C ATOM 810 O GLY A 58 -1.926 7.686 13.256 1.00 0.00 O ATOM 0 H GLY A 58 0.291 4.284 12.130 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.862 5.227 13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.369 6.464 13.992 1.00 0.00 H new ATOM 814 N ILE A 59 -1.129 6.969 11.265 1.00 0.00 N ATOM 815 CA ILE A 59 -1.951 7.877 10.483 1.00 0.00 C ATOM 816 C ILE A 59 -3.200 7.138 9.999 1.00 0.00 C ATOM 817 O ILE A 59 -3.146 5.943 9.713 1.00 0.00 O ATOM 818 CB ILE A 59 -1.132 8.505 9.354 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.196 9.054 9.880 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.942 9.574 8.618 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.035 10.490 10.383 1.00 0.00 C ATOM 0 H ILE A 59 -0.520 6.363 10.714 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.291 8.709 11.099 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.895 7.725 8.630 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.561 8.420 10.688 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.945 9.024 9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.336 10.004 7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.837 9.122 8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.230 10.358 9.318 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.993 10.856 10.751 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.307 11.126 9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.697 10.513 11.191 1.00 0.00 H new ATOM 833 N SER A 60 -4.295 7.879 9.922 1.00 0.00 N ATOM 834 CA SER A 60 -5.555 7.309 9.477 1.00 0.00 C ATOM 835 C SER A 60 -5.628 7.327 7.949 1.00 0.00 C ATOM 836 O SER A 60 -5.609 8.393 7.336 1.00 0.00 O ATOM 837 CB SER A 60 -6.744 8.066 10.073 1.00 0.00 C ATOM 838 OG SER A 60 -7.500 7.254 10.967 1.00 0.00 O ATOM 0 H SER A 60 -4.336 8.870 10.160 1.00 0.00 H new ATOM 0 HA SER A 60 -5.604 6.277 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.384 8.949 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.390 8.418 9.269 1.00 0.00 H new ATOM 0 HG SER A 60 -8.397 7.110 10.599 1.00 0.00 H new ATOM 844 N ALA A 61 -5.708 6.134 7.378 1.00 0.00 N ATOM 845 CA ALA A 61 -5.783 6.000 5.933 1.00 0.00 C ATOM 846 C ALA A 61 -7.251 5.943 5.506 1.00 0.00 C ATOM 847 O ALA A 61 -7.583 5.332 4.491 1.00 0.00 O ATOM 848 CB ALA A 61 -5.000 4.760 5.494 1.00 0.00 C ATOM 0 H ALA A 61 -5.723 5.252 7.890 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.330 6.862 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.056 4.659 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.958 4.862 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.428 3.874 5.963 1.00 0.00 H new ATOM 854 N GLN A 62 -8.091 6.589 6.301 1.00 0.00 N ATOM 855 CA GLN A 62 -9.516 6.620 6.018 1.00 0.00 C ATOM 856 C GLN A 62 -9.822 7.674 4.952 1.00 0.00 C ATOM 857 O GLN A 62 -10.392 7.359 3.909 1.00 0.00 O ATOM 858 CB GLN A 62 -10.323 6.879 7.293 1.00 0.00 C ATOM 859 CG GLN A 62 -10.764 5.563 7.938 1.00 0.00 C ATOM 860 CD GLN A 62 -10.583 5.610 9.456 1.00 0.00 C ATOM 861 OE1 GLN A 62 -10.347 6.650 10.048 1.00 0.00 O ATOM 862 NE2 GLN A 62 -10.706 4.427 10.052 1.00 0.00 N ATOM 0 H GLN A 62 -7.812 7.095 7.141 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.812 5.644 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.721 7.451 7.999 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.198 7.484 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.809 5.369 7.699 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.184 4.738 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.904 3.594 9.497 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.602 4.353 11.064 1.00 0.00 H new ATOM 871 N GLY A 63 -9.431 8.904 5.252 1.00 0.00 N ATOM 872 CA GLY A 63 -9.657 10.006 4.332 1.00 0.00 C ATOM 873 C GLY A 63 -8.357 10.414 3.635 1.00 0.00 C ATOM 874 O GLY A 63 -8.007 11.592 3.607 1.00 0.00 O ATOM 0 H GLY A 63 -8.959 9.162 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.398 9.716 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.066 10.859 4.874 1.00 0.00 H new ATOM 878 N MET A 64 -7.677 9.416 3.090 1.00 0.00 N ATOM 879 CA MET A 64 -6.424 9.656 2.396 1.00 0.00 C ATOM 880 C MET A 64 -6.413 8.966 1.029 1.00 0.00 C ATOM 881 O MET A 64 -6.765 7.793 0.920 1.00 0.00 O ATOM 882 CB MET A 64 -5.262 9.130 3.241 1.00 0.00 C ATOM 883 CG MET A 64 -5.019 10.027 4.457 1.00 0.00 C ATOM 884 SD MET A 64 -3.285 10.027 4.879 1.00 0.00 S ATOM 885 CE MET A 64 -3.090 8.328 5.389 1.00 0.00 C ATOM 0 H MET A 64 -7.970 8.439 3.115 1.00 0.00 H new ATOM 0 HA MET A 64 -6.316 10.730 2.242 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.478 8.114 3.571 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.358 9.082 2.633 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.349 11.043 4.241 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.608 9.673 5.303 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.037 8.126 5.586 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.669 8.151 6.295 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.444 7.668 4.598 1.00 0.00 H new ATOM 895 N THR A 65 -6.007 9.726 0.022 1.00 0.00 N ATOM 896 CA THR A 65 -5.946 9.203 -1.332 1.00 0.00 C ATOM 897 C THR A 65 -4.732 8.286 -1.496 1.00 0.00 C ATOM 898 O THR A 65 -3.888 8.204 -0.606 1.00 0.00 O ATOM 899 CB THR A 65 -5.946 10.390 -2.297 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.768 11.115 -1.956 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.083 11.374 -2.016 1.00 0.00 C ATOM 0 H THR A 65 -5.717 10.699 0.117 1.00 0.00 H new ATOM 0 HA THR A 65 -6.814 8.583 -1.556 1.00 0.00 H new ATOM 0 HB THR A 65 -6.027 10.025 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.689 11.901 -2.535 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.037 12.197 -2.729 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.040 10.862 -2.115 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.984 11.765 -1.004 1.00 0.00 H new ATOM 909 N HIS A 66 -4.684 7.620 -2.640 1.00 0.00 N ATOM 910 CA HIS A 66 -3.588 6.712 -2.932 1.00 0.00 C ATOM 911 C HIS A 66 -2.255 7.441 -2.747 1.00 0.00 C ATOM 912 O HIS A 66 -1.364 6.946 -2.058 1.00 0.00 O ATOM 913 CB HIS A 66 -3.742 6.105 -4.328 1.00 0.00 C ATOM 914 CG HIS A 66 -3.023 4.789 -4.508 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.317 4.472 -5.655 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.908 3.715 -3.676 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.804 3.259 -5.509 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.173 2.791 -4.282 1.00 0.00 N ATOM 0 H HIS A 66 -5.387 7.691 -3.376 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.607 5.877 -2.232 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.802 5.959 -4.535 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.368 6.815 -5.065 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.210 5.070 -6.474 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.342 3.631 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.200 2.733 -6.234 1.00 0.00 H new ATOM 926 N LEU A 67 -2.161 8.604 -3.374 1.00 0.00 N ATOM 927 CA LEU A 67 -0.952 9.406 -3.286 1.00 0.00 C ATOM 928 C LEU A 67 -0.640 9.692 -1.816 1.00 0.00 C ATOM 929 O LEU A 67 0.488 9.493 -1.368 1.00 0.00 O ATOM 930 CB LEU A 67 -1.083 10.666 -4.144 1.00 0.00 C ATOM 931 CG LEU A 67 -0.582 11.965 -3.508 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.574 12.483 -2.466 1.00 0.00 C ATOM 933 CD2 LEU A 67 0.821 11.784 -2.923 1.00 0.00 C ATOM 0 H LEU A 67 -2.902 9.010 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.101 8.859 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.538 10.506 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.133 10.795 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.510 12.722 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.194 13.407 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.535 12.676 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.701 11.737 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.153 12.722 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.799 11.007 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.511 11.494 -3.715 1.00 0.00 H new ATOM 945 N GLU A 68 -1.659 10.154 -1.107 1.00 0.00 N ATOM 946 CA GLU A 68 -1.508 10.469 0.303 1.00 0.00 C ATOM 947 C GLU A 68 -0.809 9.319 1.032 1.00 0.00 C ATOM 948 O GLU A 68 0.263 9.503 1.606 1.00 0.00 O ATOM 949 CB GLU A 68 -2.861 10.782 0.944 1.00 0.00 C ATOM 950 CG GLU A 68 -3.318 12.200 0.595 1.00 0.00 C ATOM 951 CD GLU A 68 -3.764 12.956 1.849 1.00 0.00 C ATOM 952 OE1 GLU A 68 -2.886 13.590 2.472 1.00 0.00 O ATOM 953 OE2 GLU A 68 -4.974 12.883 2.154 1.00 0.00 O ATOM 0 H GLU A 68 -2.593 10.318 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.887 11.361 0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.605 10.062 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.788 10.676 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.504 12.740 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.140 12.156 -0.119 1.00 0.00 H new ATOM 960 N ALA A 69 -1.445 8.158 0.985 1.00 0.00 N ATOM 961 CA ALA A 69 -0.898 6.978 1.634 1.00 0.00 C ATOM 962 C ALA A 69 0.534 6.751 1.146 1.00 0.00 C ATOM 963 O ALA A 69 1.442 6.548 1.951 1.00 0.00 O ATOM 964 CB ALA A 69 -1.805 5.777 1.358 1.00 0.00 C ATOM 0 H ALA A 69 -2.334 8.009 0.508 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.860 7.117 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.395 4.892 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.803 5.977 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.864 5.605 0.283 1.00 0.00 H new ATOM 970 N GLN A 70 0.692 6.794 -0.168 1.00 0.00 N ATOM 971 CA GLN A 70 1.998 6.596 -0.772 1.00 0.00 C ATOM 972 C GLN A 70 3.000 7.608 -0.214 1.00 0.00 C ATOM 973 O GLN A 70 4.135 7.254 0.103 1.00 0.00 O ATOM 974 CB GLN A 70 1.917 6.688 -2.297 1.00 0.00 C ATOM 975 CG GLN A 70 0.912 5.678 -2.855 1.00 0.00 C ATOM 976 CD GLN A 70 1.619 4.597 -3.675 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.045 3.574 -3.165 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.719 4.880 -4.971 1.00 0.00 N ATOM 0 H GLN A 70 -0.064 6.963 -0.832 1.00 0.00 H new ATOM 0 HA GLN A 70 2.345 5.594 -0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.624 7.697 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.901 6.504 -2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.362 5.216 -2.035 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.181 6.193 -3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.340 5.755 -5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.174 4.222 -5.603 1.00 0.00 H new ATOM 987 N ASN A 71 2.545 8.848 -0.111 1.00 0.00 N ATOM 988 CA ASN A 71 3.387 9.915 0.403 1.00 0.00 C ATOM 989 C ASN A 71 3.966 9.494 1.755 1.00 0.00 C ATOM 990 O ASN A 71 5.166 9.628 1.989 1.00 0.00 O ATOM 991 CB ASN A 71 2.583 11.199 0.612 1.00 0.00 C ATOM 992 CG ASN A 71 3.017 12.285 -0.375 1.00 0.00 C ATOM 993 OD1 ASN A 71 2.046 13.128 -0.713 1.00 0.00 O flip ATOM 994 ND2 ASN A 71 4.158 12.352 -0.801 1.00 0.00 N flip ATOM 0 H ASN A 71 1.603 9.138 -0.375 1.00 0.00 H new ATOM 0 HA ASN A 71 4.179 10.100 -0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.520 10.991 0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.719 11.555 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.856 11.671 -0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.415 13.089 -1.458 1.00 0.00 H new ATOM 1001 N LYS A 72 3.086 8.994 2.610 1.00 0.00 N ATOM 1002 CA LYS A 72 3.495 8.553 3.933 1.00 0.00 C ATOM 1003 C LYS A 72 4.561 7.465 3.796 1.00 0.00 C ATOM 1004 O LYS A 72 5.656 7.591 4.342 1.00 0.00 O ATOM 1005 CB LYS A 72 2.278 8.122 4.754 1.00 0.00 C ATOM 1006 CG LYS A 72 1.528 9.338 5.302 1.00 0.00 C ATOM 1007 CD LYS A 72 2.398 10.119 6.289 1.00 0.00 C ATOM 1008 CE LYS A 72 1.536 10.970 7.224 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.114 12.217 6.548 1.00 0.00 N ATOM 0 H LYS A 72 2.091 8.884 2.412 1.00 0.00 H new ATOM 0 HA LYS A 72 3.948 9.376 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.608 7.527 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.598 7.486 5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.232 9.988 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.613 9.013 5.797 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.002 9.426 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.089 10.760 5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.659 10.403 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.097 11.211 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.530 12.783 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.954 12.764 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.561 11.982 5.699 1.00 0.00 H new ATOM 1023 N ILE A 73 4.204 6.420 3.064 1.00 0.00 N ATOM 1024 CA ILE A 73 5.117 5.310 2.848 1.00 0.00 C ATOM 1025 C ILE A 73 6.476 5.853 2.401 1.00 0.00 C ATOM 1026 O ILE A 73 7.517 5.359 2.831 1.00 0.00 O ATOM 1027 CB ILE A 73 4.509 4.298 1.875 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.400 3.487 2.549 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.590 3.399 1.273 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.264 3.190 1.568 1.00 0.00 C ATOM 0 H ILE A 73 3.295 6.318 2.613 1.00 0.00 H new ATOM 0 HA ILE A 73 5.281 4.765 3.778 1.00 0.00 H new ATOM 0 HB ILE A 73 4.052 4.848 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.809 2.552 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.011 4.038 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.131 2.689 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.313 4.011 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.097 2.856 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.489 2.613 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.841 4.127 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.652 2.618 0.725 1.00 0.00 H new ATOM 1042 N LYS A 74 6.422 6.861 1.543 1.00 0.00 N ATOM 1043 CA LYS A 74 7.636 7.476 1.034 1.00 0.00 C ATOM 1044 C LYS A 74 8.409 8.106 2.194 1.00 0.00 C ATOM 1045 O LYS A 74 9.637 8.167 2.165 1.00 0.00 O ATOM 1046 CB LYS A 74 7.307 8.459 -0.092 1.00 0.00 C ATOM 1047 CG LYS A 74 7.233 7.743 -1.442 1.00 0.00 C ATOM 1048 CD LYS A 74 7.280 8.744 -2.597 1.00 0.00 C ATOM 1049 CE LYS A 74 8.435 8.429 -3.550 1.00 0.00 C ATOM 1050 NZ LYS A 74 7.953 7.638 -4.704 1.00 0.00 N ATOM 0 H LYS A 74 5.557 7.267 1.187 1.00 0.00 H new ATOM 0 HA LYS A 74 8.287 6.723 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.356 8.950 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.067 9.239 -0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.062 7.041 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.314 7.160 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.337 8.719 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.394 9.754 -2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.888 9.356 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.211 7.876 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.749 7.433 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.542 6.745 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.229 8.180 -5.218 1.00 0.00 H new ATOM 1064 N ALA A 75 7.658 8.558 3.187 1.00 0.00 N ATOM 1065 CA ALA A 75 8.258 9.181 4.355 1.00 0.00 C ATOM 1066 C ALA A 75 9.061 8.134 5.130 1.00 0.00 C ATOM 1067 O ALA A 75 10.152 8.422 5.621 1.00 0.00 O ATOM 1068 CB ALA A 75 7.165 9.826 5.208 1.00 0.00 C ATOM 0 H ALA A 75 6.640 8.505 3.207 1.00 0.00 H new ATOM 0 HA ALA A 75 8.947 9.971 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.615 10.293 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.644 10.582 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.456 9.063 5.528 1.00 0.00 H new ATOM 1074 N CYS A 76 8.490 6.942 5.216 1.00 0.00 N ATOM 1075 CA CYS A 76 9.139 5.851 5.924 1.00 0.00 C ATOM 1076 C CYS A 76 10.375 5.429 5.127 1.00 0.00 C ATOM 1077 O CYS A 76 10.256 4.897 4.024 1.00 0.00 O ATOM 1078 CB CYS A 76 8.182 4.679 6.155 1.00 0.00 C ATOM 1079 SG CYS A 76 6.761 5.223 7.172 1.00 0.00 S ATOM 0 H CYS A 76 7.585 6.707 4.807 1.00 0.00 H new ATOM 0 HA CYS A 76 9.444 6.187 6.915 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.829 4.293 5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.706 3.864 6.654 1.00 0.00 H new ATOM 0 HG CYS A 76 6.722 4.528 8.270 1.00 0.00 H new ATOM 1085 N THR A 77 11.534 5.684 5.716 1.00 0.00 N ATOM 1086 CA THR A 77 12.791 5.338 5.075 1.00 0.00 C ATOM 1087 C THR A 77 13.464 4.178 5.812 1.00 0.00 C ATOM 1088 O THR A 77 14.345 3.517 5.263 1.00 0.00 O ATOM 1089 CB THR A 77 13.654 6.600 5.012 1.00 0.00 C ATOM 1090 OG1 THR A 77 14.761 6.224 4.198 1.00 0.00 O ATOM 1091 CG2 THR A 77 14.284 6.946 6.362 1.00 0.00 C ATOM 0 H THR A 77 11.629 6.126 6.630 1.00 0.00 H new ATOM 0 HA THR A 77 12.631 4.986 4.056 1.00 0.00 H new ATOM 0 HB THR A 77 13.047 7.438 4.670 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.371 6.985 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.886 7.849 6.262 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.498 7.114 7.098 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.918 6.122 6.690 1.00 0.00 H new ATOM 1099 N GLY A 78 13.025 3.967 7.044 1.00 0.00 N ATOM 1100 CA GLY A 78 13.573 2.899 7.862 1.00 0.00 C ATOM 1101 C GLY A 78 12.637 1.689 7.883 1.00 0.00 C ATOM 1102 O GLY A 78 12.936 0.657 7.283 1.00 0.00 O ATOM 0 H GLY A 78 12.295 4.518 7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.548 2.603 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.731 3.259 8.879 1.00 0.00 H new ATOM 1106 N SER A 79 11.523 1.855 8.581 1.00 0.00 N ATOM 1107 CA SER A 79 10.542 0.789 8.689 1.00 0.00 C ATOM 1108 C SER A 79 9.142 1.335 8.397 1.00 0.00 C ATOM 1109 O SER A 79 8.927 2.546 8.422 1.00 0.00 O ATOM 1110 CB SER A 79 10.580 0.143 10.075 1.00 0.00 C ATOM 1111 OG SER A 79 10.812 1.101 11.104 1.00 0.00 O ATOM 0 H SER A 79 11.278 2.712 9.077 1.00 0.00 H new ATOM 0 HA SER A 79 10.788 0.023 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.636 -0.369 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.364 -0.614 10.101 1.00 0.00 H new ATOM 0 HG SER A 79 10.828 0.650 11.974 1.00 0.00 H new ATOM 1117 N LEU A 80 8.228 0.415 8.126 1.00 0.00 N ATOM 1118 CA LEU A 80 6.855 0.789 7.830 1.00 0.00 C ATOM 1119 C LEU A 80 5.929 0.198 8.894 1.00 0.00 C ATOM 1120 O LEU A 80 5.864 -1.019 9.059 1.00 0.00 O ATOM 1121 CB LEU A 80 6.487 0.385 6.401 1.00 0.00 C ATOM 1122 CG LEU A 80 5.332 1.160 5.762 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.607 2.665 5.776 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.041 0.644 4.351 1.00 0.00 C ATOM 0 H LEU A 80 8.411 -0.588 8.105 1.00 0.00 H new ATOM 0 HA LEU A 80 6.737 1.872 7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.370 0.503 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.233 -0.675 6.398 1.00 0.00 H new ATOM 0 HG LEU A 80 4.436 0.991 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.771 3.192 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.727 3.003 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.519 2.873 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.216 1.211 3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.928 0.764 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.771 -0.411 4.398 1.00 0.00 H new ATOM 1136 N ASN A 81 5.235 1.087 9.589 1.00 0.00 N ATOM 1137 CA ASN A 81 4.315 0.668 10.633 1.00 0.00 C ATOM 1138 C ASN A 81 2.885 1.022 10.218 1.00 0.00 C ATOM 1139 O ASN A 81 2.490 2.185 10.269 1.00 0.00 O ATOM 1140 CB ASN A 81 4.615 1.384 11.951 1.00 0.00 C ATOM 1141 CG ASN A 81 5.375 0.467 12.913 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.839 -0.032 13.888 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.649 0.275 12.584 1.00 0.00 N ATOM 0 H ASN A 81 5.291 2.096 9.450 1.00 0.00 H new ATOM 0 HA ASN A 81 4.429 -0.407 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.204 2.280 11.756 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.683 1.709 12.413 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.241 -0.321 13.163 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.034 0.724 11.753 1.00 0.00 H new ATOM 1150 N MET A 82 2.149 -0.004 9.818 1.00 0.00 N ATOM 1151 CA MET A 82 0.771 0.183 9.395 1.00 0.00 C ATOM 1152 C MET A 82 -0.123 -0.940 9.925 1.00 0.00 C ATOM 1153 O MET A 82 0.365 -2.014 10.273 1.00 0.00 O ATOM 1154 CB MET A 82 0.706 0.209 7.866 1.00 0.00 C ATOM 1155 CG MET A 82 1.821 1.080 7.284 1.00 0.00 C ATOM 1156 SD MET A 82 1.702 1.115 5.504 1.00 0.00 S ATOM 1157 CE MET A 82 1.958 -0.613 5.141 1.00 0.00 C ATOM 0 H MET A 82 2.480 -0.968 9.778 1.00 0.00 H new ATOM 0 HA MET A 82 0.411 1.129 9.800 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.792 -0.806 7.478 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.263 0.591 7.546 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.748 2.092 7.682 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.793 0.689 7.584 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.318 -0.720 4.118 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.696 -1.024 5.830 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.017 -1.152 5.253 1.00 0.00 H new ATOM 1167 N THR A 83 -1.415 -0.652 9.970 1.00 0.00 N ATOM 1168 CA THR A 83 -2.382 -1.624 10.453 1.00 0.00 C ATOM 1169 C THR A 83 -3.202 -2.183 9.288 1.00 0.00 C ATOM 1170 O THR A 83 -3.457 -1.482 8.311 1.00 0.00 O ATOM 1171 CB THR A 83 -3.235 -0.948 11.528 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.295 -0.210 12.304 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.831 -1.951 12.518 1.00 0.00 C ATOM 0 H THR A 83 -1.815 0.240 9.680 1.00 0.00 H new ATOM 0 HA THR A 83 -1.888 -2.484 10.904 1.00 0.00 H new ATOM 0 HB THR A 83 -4.039 -0.385 11.053 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.330 0.735 12.048 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.427 -1.420 13.260 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.464 -2.658 11.983 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.027 -2.491 13.018 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.592 -3.441 9.432 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.378 -4.103 8.404 1.00 0.00 C ATOM 1183 C LEU A 84 -5.762 -4.438 8.964 1.00 0.00 C ATOM 1184 O LEU A 84 -5.964 -4.428 10.177 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.627 -5.317 7.854 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.195 -5.061 7.379 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.592 -6.320 6.754 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.139 -3.865 6.426 1.00 0.00 C ATOM 0 H LEU A 84 -3.379 -4.019 10.245 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.530 -3.439 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.600 -6.084 8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.198 -5.725 7.020 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.587 -4.809 8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.574 -6.111 6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.577 -7.122 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.194 -6.626 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.110 -3.705 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.765 -4.063 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.501 -2.974 6.939 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.679 -4.727 8.053 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.039 -5.064 8.440 1.00 0.00 C ATOM 1202 C GLN A 85 -8.326 -6.536 8.139 1.00 0.00 C ATOM 1203 O GLN A 85 -8.181 -6.981 7.002 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.050 -4.154 7.740 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.464 -4.730 7.836 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.480 -3.806 7.160 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.712 -2.684 7.579 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.069 -4.339 6.094 1.00 0.00 N ATOM 0 H GLN A 85 -6.507 -4.735 7.048 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.141 -4.906 9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.026 -3.162 8.192 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.773 -4.034 6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.493 -5.713 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.734 -4.869 8.883 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.828 -5.285 5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.762 -3.802 5.573 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.729 -7.252 9.179 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.039 -8.665 9.040 1.00 0.00 C ATOM 1219 C ARG A 86 -10.439 -8.846 8.451 1.00 0.00 C ATOM 1220 O ARG A 86 -11.426 -8.412 9.042 1.00 0.00 O ATOM 1221 CB ARG A 86 -8.965 -9.380 10.391 1.00 0.00 C ATOM 1222 CG ARG A 86 -7.524 -9.773 10.725 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.594 -8.560 10.652 1.00 0.00 C ATOM 1224 NE ARG A 86 -5.202 -8.972 10.940 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.376 -9.512 10.033 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.796 -9.707 8.776 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.129 -9.855 10.384 1.00 0.00 N ATOM 0 H ARG A 86 -8.848 -6.880 10.121 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.300 -9.102 8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.359 -8.730 11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.593 -10.271 10.370 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.484 -10.207 11.724 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.182 -10.540 10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.651 -8.107 9.662 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.913 -7.803 11.368 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.849 -8.837 11.887 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.745 -9.444 8.509 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.167 -10.118 8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.809 -9.705 11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.500 -10.266 9.694 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.480 -9.489 7.293 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.743 -9.733 6.617 1.00 0.00 C ATOM 1243 C ALA A 87 -12.214 -11.156 6.925 1.00 0.00 C ATOM 1244 O ALA A 87 -12.111 -12.044 6.080 1.00 0.00 O ATOM 1245 CB ALA A 87 -11.575 -9.486 5.116 1.00 0.00 C ATOM 0 H ALA A 87 -9.659 -9.848 6.806 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.510 -9.047 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.522 -9.669 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.268 -8.454 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.815 -10.159 4.719 1.00 0.00 H new ATOM 1251 N SER A 88 -12.721 -11.328 8.137 1.00 0.00 N ATOM 1252 CA SER A 88 -13.209 -12.627 8.566 1.00 0.00 C ATOM 1253 C SER A 88 -14.712 -12.735 8.304 1.00 0.00 C ATOM 1254 O SER A 88 -15.364 -11.740 7.992 1.00 0.00 O ATOM 1255 CB SER A 88 -12.910 -12.866 10.048 1.00 0.00 C ATOM 1256 OG SER A 88 -13.616 -11.956 10.888 1.00 0.00 O ATOM 0 H SER A 88 -12.804 -10.589 8.835 1.00 0.00 H new ATOM 0 HA SER A 88 -12.691 -13.394 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.181 -13.888 10.312 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.839 -12.765 10.223 1.00 0.00 H new ATOM 0 HG SER A 88 -13.400 -12.142 11.826 1.00 0.00 H new ATOM 1262 N ALA A 89 -15.218 -13.952 8.440 1.00 0.00 N ATOM 1263 CA ALA A 89 -16.633 -14.203 8.222 1.00 0.00 C ATOM 1264 C ALA A 89 -16.974 -13.931 6.755 1.00 0.00 C ATOM 1265 O ALA A 89 -16.116 -13.507 5.983 1.00 0.00 O ATOM 1266 CB ALA A 89 -17.458 -13.343 9.181 1.00 0.00 C ATOM 0 H ALA A 89 -14.674 -14.775 8.698 1.00 0.00 H new ATOM 0 HA ALA A 89 -16.874 -15.245 8.429 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -18.519 -13.531 9.017 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -17.199 -13.594 10.210 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -17.244 -12.290 9.000 1.00 0.00 H new ATOM 1272 N ALA A 90 -18.229 -14.188 6.415 1.00 0.00 N ATOM 1273 CA ALA A 90 -18.694 -13.976 5.055 1.00 0.00 C ATOM 1274 C ALA A 90 -17.842 -14.808 4.094 1.00 0.00 C ATOM 1275 O ALA A 90 -17.121 -14.259 3.263 1.00 0.00 O ATOM 1276 CB ALA A 90 -18.651 -12.483 4.727 1.00 0.00 C ATOM 0 H ALA A 90 -18.938 -14.541 7.058 1.00 0.00 H new ATOM 0 HA ALA A 90 -19.728 -14.304 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -19.000 -12.324 3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -19.294 -11.940 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.628 -12.119 4.821 1.00 0.00 H new ATOM 1282 N ALA A 91 -17.953 -16.121 4.240 1.00 0.00 N ATOM 1283 CA ALA A 91 -17.202 -17.034 3.396 1.00 0.00 C ATOM 1284 C ALA A 91 -18.156 -18.072 2.801 1.00 0.00 C ATOM 1285 O ALA A 91 -18.635 -18.957 3.508 1.00 0.00 O ATOM 1286 CB ALA A 91 -16.077 -17.675 4.211 1.00 0.00 C ATOM 0 H ALA A 91 -18.552 -16.574 4.930 1.00 0.00 H new ATOM 0 HA ALA A 91 -16.739 -16.498 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -15.514 -18.360 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.412 -16.898 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.503 -18.224 5.050 1.00 0.00 H new ATOM 1292 N LYS A 92 -18.403 -17.929 1.507 1.00 0.00 N ATOM 1293 CA LYS A 92 -19.290 -18.844 0.809 1.00 0.00 C ATOM 1294 C LYS A 92 -18.617 -20.212 0.694 1.00 0.00 C ATOM 1295 O LYS A 92 -17.638 -20.367 -0.035 1.00 0.00 O ATOM 1296 CB LYS A 92 -19.718 -18.253 -0.536 1.00 0.00 C ATOM 1297 CG LYS A 92 -20.864 -17.256 -0.358 1.00 0.00 C ATOM 1298 CD LYS A 92 -20.353 -15.926 0.198 1.00 0.00 C ATOM 1299 CE LYS A 92 -20.963 -14.744 -0.558 1.00 0.00 C ATOM 1300 NZ LYS A 92 -20.300 -13.480 -0.167 1.00 0.00 N ATOM 0 H LYS A 92 -18.004 -17.193 0.924 1.00 0.00 H new ATOM 0 HA LYS A 92 -20.210 -18.989 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -18.869 -17.756 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -20.029 -19.054 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -21.357 -17.088 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -21.612 -17.673 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.600 -15.852 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -19.266 -15.889 0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.859 -14.899 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -22.031 -14.682 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.726 -12.688 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -20.421 -13.326 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -19.286 -13.536 -0.391 1.00 0.00 H new ATOM 1314 N SER A 93 -19.169 -21.171 1.423 1.00 0.00 N ATOM 1315 CA SER A 93 -18.634 -22.522 1.412 1.00 0.00 C ATOM 1316 C SER A 93 -19.592 -23.458 0.674 1.00 0.00 C ATOM 1317 O SER A 93 -20.781 -23.165 0.552 1.00 0.00 O ATOM 1318 CB SER A 93 -18.387 -23.029 2.834 1.00 0.00 C ATOM 1319 OG SER A 93 -17.496 -22.182 3.556 1.00 0.00 O ATOM 0 H SER A 93 -19.982 -21.039 2.025 1.00 0.00 H new ATOM 0 HA SER A 93 -17.677 -22.506 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 93 -19.336 -23.094 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.975 -24.037 2.793 1.00 0.00 H new ATOM 0 HG SER A 93 -17.365 -22.539 4.459 1.00 0.00 H new ATOM 1325 N GLU A 94 -19.040 -24.566 0.201 1.00 0.00 N ATOM 1326 CA GLU A 94 -19.831 -25.547 -0.522 1.00 0.00 C ATOM 1327 C GLU A 94 -20.083 -26.776 0.354 1.00 0.00 C ATOM 1328 O GLU A 94 -19.140 -27.428 0.800 1.00 0.00 O ATOM 1329 CB GLU A 94 -19.151 -25.940 -1.835 1.00 0.00 C ATOM 1330 CG GLU A 94 -19.084 -24.750 -2.795 1.00 0.00 C ATOM 1331 CD GLU A 94 -19.194 -25.213 -4.250 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -19.972 -26.162 -4.486 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -18.497 -24.607 -5.092 1.00 0.00 O ATOM 0 H GLU A 94 -18.054 -24.806 0.305 1.00 0.00 H new ATOM 0 HA GLU A 94 -20.793 -25.098 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -18.144 -26.305 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -19.699 -26.758 -2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -19.889 -24.051 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -18.146 -24.213 -2.650 1.00 0.00 H new ATOM 1340 N PRO A 95 -21.393 -27.062 0.580 1.00 0.00 N ATOM 1341 CA PRO A 95 -21.781 -28.201 1.394 1.00 0.00 C ATOM 1342 C PRO A 95 -21.590 -29.512 0.630 1.00 0.00 C ATOM 1343 O PRO A 95 -21.229 -29.502 -0.546 1.00 0.00 O ATOM 1344 CB PRO A 95 -23.229 -27.939 1.773 1.00 0.00 C ATOM 1345 CG PRO A 95 -23.739 -26.906 0.781 1.00 0.00 C ATOM 1346 CD PRO A 95 -22.536 -26.312 0.067 1.00 0.00 C ATOM 0 HA PRO A 95 -21.164 -28.310 2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -23.818 -28.855 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -23.304 -27.569 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -24.419 -27.368 0.065 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -24.300 -26.127 1.296 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -22.626 -26.417 -1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -22.437 -25.247 0.277 1.00 0.00 H new ATOM 1354 N VAL A 96 -21.841 -30.610 1.329 1.00 0.00 N ATOM 1355 CA VAL A 96 -21.701 -31.926 0.730 1.00 0.00 C ATOM 1356 C VAL A 96 -23.084 -32.567 0.589 1.00 0.00 C ATOM 1357 O VAL A 96 -23.950 -32.376 1.441 1.00 0.00 O ATOM 1358 CB VAL A 96 -20.730 -32.775 1.554 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -20.725 -34.227 1.070 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -19.321 -32.181 1.522 1.00 0.00 C ATOM 0 H VAL A 96 -22.140 -30.615 2.304 1.00 0.00 H new ATOM 0 HA VAL A 96 -21.275 -31.847 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 96 -21.073 -32.768 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -20.027 -34.809 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -21.726 -34.647 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -20.418 -34.261 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.650 -32.803 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -18.965 -32.143 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -19.342 -31.173 1.936 1.00 0.00 H new ATOM 1370 N SER A 97 -23.247 -33.313 -0.493 1.00 0.00 N ATOM 1371 CA SER A 97 -24.509 -33.983 -0.757 1.00 0.00 C ATOM 1372 C SER A 97 -24.271 -35.477 -0.986 1.00 0.00 C ATOM 1373 O SER A 97 -23.545 -35.860 -1.902 1.00 0.00 O ATOM 1374 CB SER A 97 -25.218 -33.367 -1.965 1.00 0.00 C ATOM 1375 OG SER A 97 -24.383 -33.345 -3.119 1.00 0.00 O ATOM 0 H SER A 97 -22.526 -33.469 -1.198 1.00 0.00 H new ATOM 0 HA SER A 97 -25.153 -33.854 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 97 -26.123 -33.935 -2.183 1.00 0.00 H new ATOM 0 HB3 SER A 97 -25.530 -32.351 -1.723 1.00 0.00 H new ATOM 0 HG SER A 97 -23.797 -34.130 -3.114 1.00 0.00 H new ATOM 1381 N SER A 98 -24.897 -36.280 -0.138 1.00 0.00 N ATOM 1382 CA SER A 98 -24.763 -37.723 -0.236 1.00 0.00 C ATOM 1383 C SER A 98 -26.016 -38.405 0.318 1.00 0.00 C ATOM 1384 O SER A 98 -26.618 -37.920 1.274 1.00 0.00 O ATOM 1385 CB SER A 98 -23.519 -38.213 0.508 1.00 0.00 C ATOM 1386 OG SER A 98 -22.338 -38.078 -0.278 1.00 0.00 O ATOM 0 H SER A 98 -25.499 -35.958 0.620 1.00 0.00 H new ATOM 0 HA SER A 98 -24.650 -37.984 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 98 -23.405 -37.649 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 98 -23.652 -39.259 0.786 1.00 0.00 H new ATOM 0 HG SER A 98 -22.498 -37.437 -1.002 1.00 0.00 H new ATOM 1392 N GLY A 99 -26.370 -39.518 -0.307 1.00 0.00 N ATOM 1393 CA GLY A 99 -27.540 -40.271 0.111 1.00 0.00 C ATOM 1394 C GLY A 99 -28.371 -40.709 -1.096 1.00 0.00 C ATOM 1395 O GLY A 99 -28.097 -40.302 -2.224 1.00 0.00 O ATOM 0 H GLY A 99 -25.867 -39.917 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -27.229 -41.147 0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -28.151 -39.660 0.775 1.00 0.00 H new ATOM 1399 N PRO A 100 -29.396 -41.556 -0.812 1.00 0.00 N ATOM 1400 CA PRO A 100 -30.269 -42.055 -1.861 1.00 0.00 C ATOM 1401 C PRO A 100 -31.246 -40.972 -2.322 1.00 0.00 C ATOM 1402 O PRO A 100 -31.661 -40.127 -1.530 1.00 0.00 O ATOM 1403 CB PRO A 100 -30.964 -43.263 -1.254 1.00 0.00 C ATOM 1404 CG PRO A 100 -30.808 -43.121 0.251 1.00 0.00 C ATOM 1405 CD PRO A 100 -29.751 -42.060 0.512 1.00 0.00 C ATOM 0 HA PRO A 100 -29.725 -42.337 -2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -32.016 -43.291 -1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -30.514 -44.191 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -31.756 -42.836 0.708 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -30.513 -44.071 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -30.138 -41.264 1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -28.884 -42.482 1.021 1.00 0.00 H new ATOM 1413 N SER A 101 -31.586 -41.032 -3.601 1.00 0.00 N ATOM 1414 CA SER A 101 -32.507 -40.066 -4.177 1.00 0.00 C ATOM 1415 C SER A 101 -33.950 -40.481 -3.885 1.00 0.00 C ATOM 1416 O SER A 101 -34.491 -41.366 -4.546 1.00 0.00 O ATOM 1417 CB SER A 101 -32.289 -39.929 -5.685 1.00 0.00 C ATOM 1418 OG SER A 101 -32.122 -38.570 -6.079 1.00 0.00 O ATOM 0 H SER A 101 -31.240 -41.734 -4.255 1.00 0.00 H new ATOM 0 HA SER A 101 -32.315 -39.095 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 101 -31.409 -40.502 -5.978 1.00 0.00 H new ATOM 0 HB3 SER A 101 -33.140 -40.358 -6.215 1.00 0.00 H new ATOM 0 HG SER A 101 -31.984 -38.525 -7.048 1.00 0.00 H new ATOM 1424 N SER A 102 -34.533 -39.823 -2.894 1.00 0.00 N ATOM 1425 CA SER A 102 -35.903 -40.112 -2.506 1.00 0.00 C ATOM 1426 C SER A 102 -36.845 -39.053 -3.083 1.00 0.00 C ATOM 1427 O SER A 102 -36.573 -37.858 -2.986 1.00 0.00 O ATOM 1428 CB SER A 102 -36.043 -40.175 -0.984 1.00 0.00 C ATOM 1429 OG SER A 102 -37.067 -41.080 -0.579 1.00 0.00 O ATOM 0 H SER A 102 -34.081 -39.090 -2.348 1.00 0.00 H new ATOM 0 HA SER A 102 -36.174 -41.088 -2.909 1.00 0.00 H new ATOM 0 HB2 SER A 102 -35.094 -40.482 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 102 -36.266 -39.180 -0.599 1.00 0.00 H new ATOM 0 HG SER A 102 -37.124 -41.093 0.399 1.00 0.00 H new ATOM 1435 N GLY A 103 -37.932 -39.531 -3.670 1.00 0.00 N ATOM 1436 CA GLY A 103 -38.915 -38.640 -4.262 1.00 0.00 C ATOM 1437 C GLY A 103 -40.080 -38.393 -3.301 1.00 0.00 C ATOM 1438 O GLY A 103 -40.795 -39.324 -2.935 1.00 0.00 O ATOM 0 H GLY A 103 -38.154 -40.524 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -38.443 -37.691 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -39.290 -39.071 -5.190 1.00 0.00 H new TER 1442 GLY A 103