USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 531 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 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0146 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 1:sc= 0.866 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 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 16 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.6) USER MOD Single : A 17 MET CE :methyl -120:sc= -1.51 (180deg=-5.43!) USER MOD Single : A 18 SER OG : rot 76:sc= 0.0287 USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.347! (180deg=-0.847) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -138:sc= -1.26 (180deg=-2.7!) USER MOD Single : A 27 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.7!) USER MOD Single : A 28 MET CE :methyl -164:sc= 0 (180deg=-0.000254) USER MOD Single : A 31 ASN : amide:sc= -1.99 K(o=-2,f=-7.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 92:sc= 0.663 USER MOD Single : A 46 GLN : amide:sc= -2.79! X(o=-2.8!,f=-2.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.44) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.114 -10.927 23.930 1.00 0.00 N ATOM 2 CA GLY A 1 -0.243 -9.766 23.937 1.00 0.00 C ATOM 3 C GLY A 1 -0.147 -9.121 25.305 1.00 0.00 C ATOM 4 O GLY A 1 -0.146 -9.810 26.325 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.665 -11.695 23.392 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.282 -11.241 24.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.021 -10.678 23.486 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.753 -10.061 23.607 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.613 -9.034 23.219 1.00 0.00 H new ATOM 8 N SER A 2 -0.065 -7.794 25.328 1.00 0.00 N ATOM 9 CA SER A 2 0.037 -7.056 26.581 1.00 0.00 C ATOM 10 C SER A 2 -1.240 -7.203 27.404 1.00 0.00 C ATOM 11 O SER A 2 -1.208 -7.669 28.542 1.00 0.00 O ATOM 12 CB SER A 2 0.312 -5.577 26.305 1.00 0.00 C ATOM 13 OG SER A 2 1.698 -5.341 26.126 1.00 0.00 O ATOM 0 H SER A 2 -0.067 -7.208 24.493 1.00 0.00 H new ATOM 0 HA SER A 2 0.867 -7.472 27.153 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.232 -5.263 25.414 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.059 -4.974 27.134 1.00 0.00 H new ATOM 0 HG SER A 2 1.848 -4.389 25.949 1.00 0.00 H new ATOM 19 N SER A 3 -2.363 -6.801 26.818 1.00 0.00 N ATOM 20 CA SER A 3 -3.651 -6.883 27.496 1.00 0.00 C ATOM 21 C SER A 3 -4.746 -7.327 26.532 1.00 0.00 C ATOM 22 O SER A 3 -5.087 -6.612 25.590 1.00 0.00 O ATOM 23 CB SER A 3 -4.015 -5.530 28.111 1.00 0.00 C ATOM 24 OG SER A 3 -4.426 -4.611 27.114 1.00 0.00 O ATOM 0 H SER A 3 -2.407 -6.415 25.875 1.00 0.00 H new ATOM 0 HA SER A 3 -3.568 -7.625 28.290 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.814 -5.662 28.840 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.156 -5.128 28.648 1.00 0.00 H new ATOM 0 HG SER A 3 -4.406 -5.049 26.237 1.00 0.00 H new ATOM 30 N GLY A 4 -5.294 -8.514 26.774 1.00 0.00 N ATOM 31 CA GLY A 4 -6.345 -9.035 25.918 1.00 0.00 C ATOM 32 C GLY A 4 -6.483 -10.540 26.021 1.00 0.00 C ATOM 33 O GLY A 4 -6.288 -11.257 25.039 1.00 0.00 O ATOM 0 H GLY A 4 -5.029 -9.124 27.547 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.292 -8.567 26.185 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.136 -8.762 24.884 1.00 0.00 H new ATOM 37 N SER A 5 -6.819 -11.022 27.213 1.00 0.00 N ATOM 38 CA SER A 5 -6.978 -12.454 27.442 1.00 0.00 C ATOM 39 C SER A 5 -8.098 -13.022 26.575 1.00 0.00 C ATOM 40 O SER A 5 -7.867 -13.891 25.735 1.00 0.00 O ATOM 41 CB SER A 5 -7.273 -12.726 28.918 1.00 0.00 C ATOM 42 OG SER A 5 -6.080 -12.743 29.682 1.00 0.00 O ATOM 0 H SER A 5 -6.986 -10.442 28.035 1.00 0.00 H new ATOM 0 HA SER A 5 -6.045 -12.946 27.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.945 -11.960 29.305 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.787 -13.682 29.019 1.00 0.00 H new ATOM 0 HG SER A 5 -6.296 -12.917 30.622 1.00 0.00 H new ATOM 48 N SER A 6 -9.312 -12.523 26.786 1.00 0.00 N ATOM 49 CA SER A 6 -10.469 -12.983 26.027 1.00 0.00 C ATOM 50 C SER A 6 -11.326 -11.804 25.577 1.00 0.00 C ATOM 51 O SER A 6 -11.578 -10.876 26.344 1.00 0.00 O ATOM 52 CB SER A 6 -11.308 -13.946 26.869 1.00 0.00 C ATOM 53 OG SER A 6 -10.745 -15.246 26.871 1.00 0.00 O ATOM 0 H SER A 6 -9.520 -11.801 27.476 1.00 0.00 H new ATOM 0 HA SER A 6 -10.108 -13.506 25.142 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.377 -13.575 27.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.324 -13.987 26.476 1.00 0.00 H new ATOM 0 HG SER A 6 -11.299 -15.842 27.417 1.00 0.00 H new ATOM 59 N GLY A 7 -11.772 -11.848 24.325 1.00 0.00 N ATOM 60 CA GLY A 7 -12.596 -10.779 23.792 1.00 0.00 C ATOM 61 C GLY A 7 -12.028 -10.190 22.516 1.00 0.00 C ATOM 62 O GLY A 7 -11.655 -9.017 22.477 1.00 0.00 O ATOM 0 H GLY A 7 -11.577 -12.605 23.670 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.599 -11.160 23.598 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.693 -9.992 24.540 1.00 0.00 H new ATOM 66 N SER A 8 -11.960 -11.006 21.469 1.00 0.00 N ATOM 67 CA SER A 8 -11.428 -10.561 20.186 1.00 0.00 C ATOM 68 C SER A 8 -12.348 -10.978 19.042 1.00 0.00 C ATOM 69 O SER A 8 -12.907 -12.075 19.030 1.00 0.00 O ATOM 70 CB SER A 8 -10.028 -11.134 19.964 1.00 0.00 C ATOM 71 OG SER A 8 -9.096 -10.570 20.871 1.00 0.00 O ATOM 0 H SER A 8 -12.267 -11.979 21.484 1.00 0.00 H new ATOM 0 HA SER A 8 -11.369 -9.473 20.203 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.051 -12.217 20.088 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.709 -10.937 18.941 1.00 0.00 H new ATOM 0 HG SER A 8 -8.209 -10.954 20.710 1.00 0.00 H new ATOM 77 N PRO A 9 -12.510 -10.082 18.057 1.00 0.00 N ATOM 78 CA PRO A 9 -13.360 -10.334 16.890 1.00 0.00 C ATOM 79 C PRO A 9 -12.774 -11.394 15.963 1.00 0.00 C ATOM 80 O PRO A 9 -11.693 -11.926 16.219 1.00 0.00 O ATOM 81 CB PRO A 9 -13.408 -8.976 16.186 1.00 0.00 C ATOM 82 CG PRO A 9 -12.155 -8.288 16.605 1.00 0.00 C ATOM 83 CD PRO A 9 -11.874 -8.755 18.007 1.00 0.00 C ATOM 0 HA PRO A 9 -14.340 -10.717 17.175 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.452 -9.093 15.103 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.290 -8.408 16.482 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.330 -8.539 15.938 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.274 -7.205 16.571 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.804 -8.814 18.204 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.298 -8.078 18.749 1.00 0.00 H new ATOM 91 N ILE A 10 -13.492 -11.694 14.887 1.00 0.00 N ATOM 92 CA ILE A 10 -13.041 -12.689 13.922 1.00 0.00 C ATOM 93 C ILE A 10 -13.013 -12.113 12.510 1.00 0.00 C ATOM 94 O ILE A 10 -13.924 -11.391 12.105 1.00 0.00 O ATOM 95 CB ILE A 10 -13.944 -13.937 13.936 1.00 0.00 C ATOM 96 CG1 ILE A 10 -13.965 -14.562 15.333 1.00 0.00 C ATOM 97 CG2 ILE A 10 -13.466 -14.948 12.905 1.00 0.00 C ATOM 98 CD1 ILE A 10 -12.606 -15.028 15.807 1.00 0.00 C ATOM 0 H ILE A 10 -14.388 -11.263 14.661 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.031 -12.977 14.215 1.00 0.00 H new ATOM 0 HB ILE A 10 -14.959 -13.636 13.677 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -14.358 -13.834 16.042 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.651 -15.409 15.333 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.114 -15.824 12.927 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.497 -14.498 11.913 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.444 -15.247 13.136 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -12.697 -15.460 16.804 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.219 -15.780 15.119 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.922 -14.180 15.840 1.00 0.00 H new ATOM 110 N ASN A 11 -11.962 -12.438 11.765 1.00 0.00 N ATOM 111 CA ASN A 11 -11.815 -11.953 10.397 1.00 0.00 C ATOM 112 C ASN A 11 -11.642 -13.115 9.424 1.00 0.00 C ATOM 113 O ASN A 11 -10.599 -13.768 9.377 1.00 0.00 O ATOM 114 CB ASN A 11 -10.618 -11.005 10.296 1.00 0.00 C ATOM 115 CG ASN A 11 -10.893 -9.656 10.932 1.00 0.00 C ATOM 116 OD1 ASN A 11 -12.035 -9.334 11.260 1.00 0.00 O ATOM 117 ND2 ASN A 11 -9.845 -8.860 11.107 1.00 0.00 N ATOM 0 H ASN A 11 -11.199 -13.035 12.085 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.722 -11.411 10.130 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.754 -11.462 10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.358 -10.863 9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.969 -7.940 11.529 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.916 -9.169 10.820 1.00 0.00 H new ATOM 124 N PRO A 12 -12.688 -13.380 8.627 1.00 0.00 N ATOM 125 CA PRO A 12 -12.676 -14.463 7.639 1.00 0.00 C ATOM 126 C PRO A 12 -11.736 -14.174 6.474 1.00 0.00 C ATOM 127 O PRO A 12 -10.945 -15.029 6.075 1.00 0.00 O ATOM 128 CB PRO A 12 -14.127 -14.517 7.155 1.00 0.00 C ATOM 129 CG PRO A 12 -14.658 -13.146 7.394 1.00 0.00 C ATOM 130 CD PRO A 12 -13.962 -12.643 8.629 1.00 0.00 C ATOM 0 HA PRO A 12 -12.319 -15.401 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.183 -14.785 6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.700 -15.265 7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -14.459 -12.496 6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.739 -13.165 7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.803 -11.565 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.543 -12.847 9.529 1.00 0.00 H new ATOM 138 N TYR A 13 -11.827 -12.965 5.932 1.00 0.00 N ATOM 139 CA TYR A 13 -10.985 -12.564 4.811 1.00 0.00 C ATOM 140 C TYR A 13 -10.054 -11.423 5.209 1.00 0.00 C ATOM 141 O TYR A 13 -8.941 -11.306 4.696 1.00 0.00 O ATOM 142 CB TYR A 13 -11.850 -12.141 3.623 1.00 0.00 C ATOM 143 CG TYR A 13 -12.574 -10.830 3.837 1.00 0.00 C ATOM 144 CD1 TYR A 13 -11.927 -9.617 3.638 1.00 0.00 C ATOM 145 CD2 TYR A 13 -13.904 -10.805 4.239 1.00 0.00 C ATOM 146 CE1 TYR A 13 -12.583 -8.417 3.833 1.00 0.00 C ATOM 147 CE2 TYR A 13 -14.568 -9.611 4.435 1.00 0.00 C ATOM 148 CZ TYR A 13 -13.904 -8.419 4.231 1.00 0.00 C ATOM 149 OH TYR A 13 -14.563 -7.227 4.427 1.00 0.00 O ATOM 0 H TYR A 13 -12.476 -12.245 6.251 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.376 -13.421 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.220 -12.058 2.737 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.583 -12.922 3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.893 -9.612 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.427 -11.736 4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.065 -7.483 3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.602 -9.610 4.746 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.486 -7.405 4.704 1.00 0.00 H new ATOM 159 N LYS A 14 -10.518 -10.583 6.128 1.00 0.00 N ATOM 160 CA LYS A 14 -9.729 -9.451 6.598 1.00 0.00 C ATOM 161 C LYS A 14 -8.418 -9.922 7.218 1.00 0.00 C ATOM 162 O LYS A 14 -7.398 -9.237 7.134 1.00 0.00 O ATOM 163 CB LYS A 14 -10.526 -8.637 7.621 1.00 0.00 C ATOM 164 CG LYS A 14 -11.385 -7.551 6.998 1.00 0.00 C ATOM 165 CD LYS A 14 -11.818 -6.522 8.029 1.00 0.00 C ATOM 166 CE LYS A 14 -13.110 -5.832 7.619 1.00 0.00 C ATOM 167 NZ LYS A 14 -14.310 -6.623 8.011 1.00 0.00 N ATOM 0 H LYS A 14 -11.437 -10.665 6.562 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.499 -8.819 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.165 -9.311 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.834 -8.180 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.828 -7.057 6.202 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.266 -8.001 6.539 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.955 -7.008 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.031 -5.778 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.158 -4.846 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.113 -5.678 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.170 -6.119 7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.278 -7.555 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.321 -6.748 9.043 1.00 0.00 H new ATOM 181 N ASP A 15 -8.451 -11.096 7.840 1.00 0.00 N ATOM 182 CA ASP A 15 -7.263 -11.660 8.472 1.00 0.00 C ATOM 183 C ASP A 15 -6.175 -11.932 7.438 1.00 0.00 C ATOM 184 O ASP A 15 -5.033 -11.498 7.594 1.00 0.00 O ATOM 185 CB ASP A 15 -7.618 -12.951 9.210 1.00 0.00 C ATOM 186 CG ASP A 15 -6.408 -13.603 9.851 1.00 0.00 C ATOM 187 OD1 ASP A 15 -5.280 -13.353 9.376 1.00 0.00 O ATOM 188 OD2 ASP A 15 -6.589 -14.362 10.825 1.00 0.00 O ATOM 0 H ASP A 15 -9.287 -11.675 7.920 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.882 -10.933 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.360 -12.735 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.077 -13.651 8.512 1.00 0.00 H new ATOM 193 N HIS A 16 -6.536 -12.655 6.382 1.00 0.00 N ATOM 194 CA HIS A 16 -5.590 -12.986 5.323 1.00 0.00 C ATOM 195 C HIS A 16 -4.809 -11.750 4.886 1.00 0.00 C ATOM 196 O HIS A 16 -3.623 -11.835 4.567 1.00 0.00 O ATOM 197 CB HIS A 16 -6.324 -13.589 4.125 1.00 0.00 C ATOM 198 CG HIS A 16 -6.477 -15.077 4.202 1.00 0.00 C ATOM 199 ND1 HIS A 16 -7.371 -15.698 5.049 1.00 0.00 N ATOM 200 CD2 HIS A 16 -5.845 -16.068 3.531 1.00 0.00 C ATOM 201 CE1 HIS A 16 -7.280 -17.008 4.896 1.00 0.00 C ATOM 202 NE2 HIS A 16 -6.361 -17.258 3.981 1.00 0.00 N ATOM 0 H HIS A 16 -7.476 -13.022 6.237 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.886 -13.720 5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.312 -13.134 4.048 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.784 -13.334 3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.078 -15.945 2.781 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -7.859 -17.748 5.429 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -6.080 -18.185 3.661 1.00 0.00 H new ATOM 211 N MET A 17 -5.481 -10.604 4.875 1.00 0.00 N ATOM 212 CA MET A 17 -4.849 -9.352 4.479 1.00 0.00 C ATOM 213 C MET A 17 -3.949 -8.821 5.590 1.00 0.00 C ATOM 214 O MET A 17 -2.744 -8.656 5.400 1.00 0.00 O ATOM 215 CB MET A 17 -5.911 -8.309 4.125 1.00 0.00 C ATOM 216 CG MET A 17 -6.330 -8.340 2.664 1.00 0.00 C ATOM 217 SD MET A 17 -6.457 -10.017 2.013 1.00 0.00 S ATOM 218 CE MET A 17 -4.876 -10.179 1.187 1.00 0.00 C ATOM 0 H MET A 17 -6.463 -10.517 5.136 1.00 0.00 H new ATOM 0 HA MET A 17 -4.234 -9.547 3.600 1.00 0.00 H new ATOM 0 HB2 MET A 17 -6.789 -8.470 4.750 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.528 -7.317 4.364 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.292 -7.838 2.555 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.608 -7.778 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.038 -10.371 0.126 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.307 -9.257 1.306 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.320 -11.008 1.625 1.00 0.00 H new ATOM 228 N SER A 18 -4.542 -8.555 6.750 1.00 0.00 N ATOM 229 CA SER A 18 -3.795 -8.039 7.890 1.00 0.00 C ATOM 230 C SER A 18 -2.451 -8.749 8.025 1.00 0.00 C ATOM 231 O SER A 18 -1.394 -8.123 7.938 1.00 0.00 O ATOM 232 CB SER A 18 -4.605 -8.209 9.177 1.00 0.00 C ATOM 233 OG SER A 18 -5.739 -7.359 9.181 1.00 0.00 O ATOM 0 H SER A 18 -5.538 -8.689 6.924 1.00 0.00 H new ATOM 0 HA SER A 18 -3.611 -6.978 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.924 -9.247 9.276 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.976 -7.986 10.039 1.00 0.00 H new ATOM 0 HG SER A 18 -6.430 -7.733 8.595 1.00 0.00 H new ATOM 239 N VAL A 19 -2.499 -10.060 8.237 1.00 0.00 N ATOM 240 CA VAL A 19 -1.287 -10.856 8.383 1.00 0.00 C ATOM 241 C VAL A 19 -0.203 -10.389 7.418 1.00 0.00 C ATOM 242 O VAL A 19 0.944 -10.176 7.811 1.00 0.00 O ATOM 243 CB VAL A 19 -1.565 -12.352 8.140 1.00 0.00 C ATOM 244 CG1 VAL A 19 -2.426 -12.541 6.901 1.00 0.00 C ATOM 245 CG2 VAL A 19 -0.260 -13.123 8.016 1.00 0.00 C ATOM 0 H VAL A 19 -3.365 -10.594 8.311 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.941 -10.720 9.408 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.113 -12.746 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.612 -13.604 6.746 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.375 -12.023 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.909 -12.132 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.475 -14.178 7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.317 -12.730 7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.315 -13.015 8.936 1.00 0.00 H new ATOM 255 N LEU A 20 -0.574 -10.232 6.152 1.00 0.00 N ATOM 256 CA LEU A 20 0.366 -9.789 5.128 1.00 0.00 C ATOM 257 C LEU A 20 0.988 -8.448 5.504 1.00 0.00 C ATOM 258 O LEU A 20 2.174 -8.214 5.271 1.00 0.00 O ATOM 259 CB LEU A 20 -0.338 -9.677 3.775 1.00 0.00 C ATOM 260 CG LEU A 20 -0.857 -10.985 3.177 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.522 -10.731 1.834 1.00 0.00 C ATOM 262 CD2 LEU A 20 0.275 -11.991 3.033 1.00 0.00 C ATOM 0 H LEU A 20 -1.519 -10.405 5.810 1.00 0.00 H new ATOM 0 HA LEU A 20 1.162 -10.530 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.178 -8.991 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.354 -9.226 3.064 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.602 -11.402 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.885 -11.673 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.360 -10.046 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.799 -10.291 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.112 -12.916 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.044 -11.582 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.706 -12.196 4.013 1.00 0.00 H new ATOM 274 N LYS A 21 0.180 -7.570 6.088 1.00 0.00 N ATOM 275 CA LYS A 21 0.650 -6.253 6.500 1.00 0.00 C ATOM 276 C LYS A 21 1.656 -6.367 7.641 1.00 0.00 C ATOM 277 O LYS A 21 2.487 -5.481 7.839 1.00 0.00 O ATOM 278 CB LYS A 21 -0.530 -5.379 6.932 1.00 0.00 C ATOM 279 CG LYS A 21 -1.205 -4.656 5.779 1.00 0.00 C ATOM 280 CD LYS A 21 -2.350 -5.472 5.203 1.00 0.00 C ATOM 281 CE LYS A 21 -2.792 -4.935 3.851 1.00 0.00 C ATOM 282 NZ LYS A 21 -3.316 -6.015 2.969 1.00 0.00 N ATOM 0 H LYS A 21 -0.805 -7.747 6.287 1.00 0.00 H new ATOM 0 HA LYS A 21 1.145 -5.789 5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.266 -6.002 7.440 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.181 -4.643 7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.581 -3.692 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.473 -4.452 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.041 -6.512 5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.192 -5.457 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.563 -4.178 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.950 -4.444 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.137 -5.661 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.574 -6.311 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.604 -6.828 3.550 1.00 0.00 H new ATOM 296 N ALA A 22 1.576 -7.463 8.388 1.00 0.00 N ATOM 297 CA ALA A 22 2.481 -7.694 9.506 1.00 0.00 C ATOM 298 C ALA A 22 3.871 -8.085 9.016 1.00 0.00 C ATOM 299 O ALA A 22 4.881 -7.669 9.585 1.00 0.00 O ATOM 300 CB ALA A 22 1.921 -8.770 10.426 1.00 0.00 C ATOM 0 H ALA A 22 0.893 -8.205 8.239 1.00 0.00 H new ATOM 0 HA ALA A 22 2.571 -6.763 10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.608 -8.932 11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.953 -8.451 10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.801 -9.699 9.868 1.00 0.00 H new ATOM 306 N TYR A 23 3.915 -8.888 7.959 1.00 0.00 N ATOM 307 CA TYR A 23 5.182 -9.338 7.394 1.00 0.00 C ATOM 308 C TYR A 23 5.927 -8.181 6.736 1.00 0.00 C ATOM 309 O TYR A 23 7.155 -8.102 6.798 1.00 0.00 O ATOM 310 CB TYR A 23 4.942 -10.451 6.372 1.00 0.00 C ATOM 311 CG TYR A 23 4.554 -11.773 6.996 1.00 0.00 C ATOM 312 CD1 TYR A 23 5.345 -12.358 7.978 1.00 0.00 C ATOM 313 CD2 TYR A 23 3.399 -12.437 6.603 1.00 0.00 C ATOM 314 CE1 TYR A 23 4.995 -13.566 8.550 1.00 0.00 C ATOM 315 CE2 TYR A 23 3.041 -13.644 7.171 1.00 0.00 C ATOM 316 CZ TYR A 23 3.843 -14.205 8.144 1.00 0.00 C ATOM 317 OH TYR A 23 3.490 -15.408 8.711 1.00 0.00 O ATOM 0 H TYR A 23 3.089 -9.241 7.476 1.00 0.00 H new ATOM 0 HA TYR A 23 5.796 -9.726 8.207 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.156 -10.138 5.685 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.846 -10.590 5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.248 -11.860 8.299 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.770 -12.002 5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.621 -14.007 9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.138 -14.146 6.855 1.00 0.00 H new ATOM 0 HH TYR A 23 2.651 -15.723 8.314 1.00 0.00 H new ATOM 327 N TYR A 24 5.176 -7.284 6.107 1.00 0.00 N ATOM 328 CA TYR A 24 5.764 -6.131 5.436 1.00 0.00 C ATOM 329 C TYR A 24 6.171 -5.062 6.445 1.00 0.00 C ATOM 330 O TYR A 24 7.304 -4.582 6.436 1.00 0.00 O ATOM 331 CB TYR A 24 4.777 -5.544 4.425 1.00 0.00 C ATOM 332 CG TYR A 24 5.424 -4.636 3.404 1.00 0.00 C ATOM 333 CD1 TYR A 24 6.173 -3.535 3.801 1.00 0.00 C ATOM 334 CD2 TYR A 24 5.285 -4.878 2.043 1.00 0.00 C ATOM 335 CE1 TYR A 24 6.765 -2.701 2.871 1.00 0.00 C ATOM 336 CE2 TYR A 24 5.875 -4.051 1.107 1.00 0.00 C ATOM 337 CZ TYR A 24 6.613 -2.964 1.526 1.00 0.00 C ATOM 338 OH TYR A 24 7.201 -2.137 0.596 1.00 0.00 O ATOM 0 H TYR A 24 4.159 -7.333 6.048 1.00 0.00 H new ATOM 0 HA TYR A 24 6.657 -6.467 4.909 1.00 0.00 H new ATOM 0 HB2 TYR A 24 4.273 -6.360 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.010 -4.985 4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.295 -3.327 4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.706 -5.727 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.343 -1.849 3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.759 -4.255 0.053 1.00 0.00 H new ATOM 0 HH TYR A 24 6.998 -2.462 -0.306 1.00 0.00 H new ATOM 348 N ALA A 25 5.237 -4.694 7.316 1.00 0.00 N ATOM 349 CA ALA A 25 5.497 -3.684 8.334 1.00 0.00 C ATOM 350 C ALA A 25 6.893 -3.848 8.926 1.00 0.00 C ATOM 351 O ALA A 25 7.632 -2.876 9.078 1.00 0.00 O ATOM 352 CB ALA A 25 4.445 -3.756 9.431 1.00 0.00 C ATOM 0 H ALA A 25 4.293 -5.081 7.337 1.00 0.00 H new ATOM 0 HA ALA A 25 5.444 -2.704 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.652 -2.996 10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.459 -3.582 9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.470 -4.742 9.895 1.00 0.00 H new ATOM 358 N MET A 26 7.247 -5.085 9.260 1.00 0.00 N ATOM 359 CA MET A 26 8.555 -5.376 9.836 1.00 0.00 C ATOM 360 C MET A 26 9.650 -5.266 8.780 1.00 0.00 C ATOM 361 O MET A 26 10.677 -4.625 9.002 1.00 0.00 O ATOM 362 CB MET A 26 8.564 -6.776 10.453 1.00 0.00 C ATOM 363 CG MET A 26 7.564 -6.948 11.584 1.00 0.00 C ATOM 364 SD MET A 26 7.514 -8.636 12.216 1.00 0.00 S ATOM 365 CE MET A 26 7.242 -9.557 10.703 1.00 0.00 C ATOM 0 H MET A 26 6.647 -5.901 9.142 1.00 0.00 H new ATOM 0 HA MET A 26 8.752 -4.642 10.617 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.349 -7.508 9.675 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.564 -6.993 10.828 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.819 -6.267 12.396 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.572 -6.666 11.232 1.00 0.00 H new ATOM 0 HE1 MET A 26 6.508 -10.343 10.882 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.872 -8.884 9.929 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.180 -10.005 10.376 1.00 0.00 H new ATOM 375 N ASN A 27 9.424 -5.895 7.631 1.00 0.00 N ATOM 376 CA ASN A 27 10.393 -5.868 6.541 1.00 0.00 C ATOM 377 C ASN A 27 9.767 -5.299 5.271 1.00 0.00 C ATOM 378 O ASN A 27 8.731 -5.776 4.810 1.00 0.00 O ATOM 379 CB ASN A 27 10.929 -7.276 6.272 1.00 0.00 C ATOM 380 CG ASN A 27 12.227 -7.260 5.488 1.00 0.00 C ATOM 381 OD1 ASN A 27 12.867 -6.218 5.347 1.00 0.00 O ATOM 382 ND2 ASN A 27 12.621 -8.419 4.974 1.00 0.00 N ATOM 0 H ASN A 27 8.579 -6.429 7.431 1.00 0.00 H new ATOM 0 HA ASN A 27 11.219 -5.223 6.839 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.087 -7.789 7.221 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.182 -7.847 5.721 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.486 -8.471 4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.058 -9.258 5.116 1.00 0.00 H new ATOM 389 N MET A 28 10.405 -4.276 4.711 1.00 0.00 N ATOM 390 CA MET A 28 9.912 -3.643 3.494 1.00 0.00 C ATOM 391 C MET A 28 9.962 -4.613 2.318 1.00 0.00 C ATOM 392 O MET A 28 8.949 -4.863 1.665 1.00 0.00 O ATOM 393 CB MET A 28 10.734 -2.393 3.174 1.00 0.00 C ATOM 394 CG MET A 28 10.860 -1.432 4.345 1.00 0.00 C ATOM 395 SD MET A 28 9.510 -0.239 4.413 1.00 0.00 S ATOM 396 CE MET A 28 8.481 -0.963 5.688 1.00 0.00 C ATOM 0 H MET A 28 11.264 -3.868 5.081 1.00 0.00 H new ATOM 0 HA MET A 28 8.874 -3.354 3.660 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.731 -2.696 2.854 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.275 -1.871 2.334 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.885 -2.000 5.275 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.808 -0.899 4.272 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.488 -0.515 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.400 -2.038 5.524 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.928 -0.778 6.665 1.00 0.00 H new ATOM 406 N GLU A 29 11.146 -5.157 2.055 1.00 0.00 N ATOM 407 CA GLU A 29 11.326 -6.099 0.956 1.00 0.00 C ATOM 408 C GLU A 29 11.814 -7.449 1.472 1.00 0.00 C ATOM 409 O GLU A 29 12.989 -7.634 1.789 1.00 0.00 O ATOM 410 CB GLU A 29 12.320 -5.542 -0.065 1.00 0.00 C ATOM 411 CG GLU A 29 11.706 -4.540 -1.028 1.00 0.00 C ATOM 412 CD GLU A 29 12.741 -3.871 -1.913 1.00 0.00 C ATOM 413 OE1 GLU A 29 13.734 -4.538 -2.271 1.00 0.00 O ATOM 414 OE2 GLU A 29 12.558 -2.682 -2.245 1.00 0.00 O ATOM 0 H GLU A 29 11.994 -4.962 2.587 1.00 0.00 H new ATOM 0 HA GLU A 29 10.360 -6.242 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.144 -5.065 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.744 -6.369 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.971 -5.047 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.171 -3.778 -0.461 1.00 0.00 H new ATOM 421 N PRO A 30 10.889 -8.417 1.560 1.00 0.00 N ATOM 422 CA PRO A 30 11.200 -9.768 2.037 1.00 0.00 C ATOM 423 C PRO A 30 12.063 -10.547 1.051 1.00 0.00 C ATOM 424 O PRO A 30 12.326 -10.084 -0.058 1.00 0.00 O ATOM 425 CB PRO A 30 9.823 -10.422 2.175 1.00 0.00 C ATOM 426 CG PRO A 30 8.955 -9.681 1.217 1.00 0.00 C ATOM 427 CD PRO A 30 9.469 -8.268 1.200 1.00 0.00 C ATOM 0 HA PRO A 30 11.773 -9.750 2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.863 -11.484 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.447 -10.341 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.003 -10.126 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.912 -9.713 1.531 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.349 -7.809 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.937 -7.638 1.914 1.00 0.00 H new ATOM 435 N ASN A 31 12.501 -11.733 1.462 1.00 0.00 N ATOM 436 CA ASN A 31 13.335 -12.576 0.613 1.00 0.00 C ATOM 437 C ASN A 31 12.571 -13.817 0.162 1.00 0.00 C ATOM 438 O ASN A 31 11.587 -14.215 0.786 1.00 0.00 O ATOM 439 CB ASN A 31 14.605 -12.989 1.360 1.00 0.00 C ATOM 440 CG ASN A 31 14.347 -13.271 2.827 1.00 0.00 C ATOM 441 OD1 ASN A 31 13.918 -14.365 3.194 1.00 0.00 O ATOM 442 ND2 ASN A 31 14.609 -12.283 3.675 1.00 0.00 N ATOM 0 H ASN A 31 12.292 -12.132 2.377 1.00 0.00 H new ATOM 0 HA ASN A 31 13.612 -12.000 -0.270 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.026 -13.878 0.891 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.349 -12.198 1.270 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.456 -12.415 4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.964 -11.392 3.327 1.00 0.00 H new ATOM 449 N SER A 32 13.032 -14.425 -0.927 1.00 0.00 N ATOM 450 CA SER A 32 12.391 -15.620 -1.465 1.00 0.00 C ATOM 451 C SER A 32 11.937 -16.545 -0.340 1.00 0.00 C ATOM 452 O SER A 32 10.876 -17.165 -0.422 1.00 0.00 O ATOM 453 CB SER A 32 13.350 -16.363 -2.397 1.00 0.00 C ATOM 454 OG SER A 32 14.599 -16.590 -1.767 1.00 0.00 O ATOM 0 H SER A 32 13.847 -14.110 -1.454 1.00 0.00 H new ATOM 0 HA SER A 32 11.514 -15.309 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.910 -17.315 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.499 -15.784 -3.308 1.00 0.00 H new ATOM 0 HG SER A 32 15.194 -17.068 -2.382 1.00 0.00 H new ATOM 460 N ASP A 33 12.747 -16.633 0.709 1.00 0.00 N ATOM 461 CA ASP A 33 12.430 -17.482 1.851 1.00 0.00 C ATOM 462 C ASP A 33 11.191 -16.971 2.580 1.00 0.00 C ATOM 463 O ASP A 33 10.271 -17.735 2.869 1.00 0.00 O ATOM 464 CB ASP A 33 13.616 -17.542 2.815 1.00 0.00 C ATOM 465 CG ASP A 33 14.575 -18.668 2.484 1.00 0.00 C ATOM 466 OD1 ASP A 33 14.932 -18.815 1.296 1.00 0.00 O ATOM 467 OD2 ASP A 33 14.970 -19.403 3.413 1.00 0.00 O ATOM 0 H ASP A 33 13.628 -16.126 0.792 1.00 0.00 H new ATOM 0 HA ASP A 33 12.223 -18.486 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.151 -16.593 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.247 -17.670 3.833 1.00 0.00 H new ATOM 472 N GLU A 34 11.177 -15.675 2.876 1.00 0.00 N ATOM 473 CA GLU A 34 10.052 -15.063 3.573 1.00 0.00 C ATOM 474 C GLU A 34 8.794 -15.098 2.710 1.00 0.00 C ATOM 475 O GLU A 34 7.759 -15.625 3.122 1.00 0.00 O ATOM 476 CB GLU A 34 10.384 -13.619 3.953 1.00 0.00 C ATOM 477 CG GLU A 34 11.478 -13.501 5.000 1.00 0.00 C ATOM 478 CD GLU A 34 11.026 -13.965 6.371 1.00 0.00 C ATOM 479 OE1 GLU A 34 10.329 -13.190 7.059 1.00 0.00 O ATOM 480 OE2 GLU A 34 11.370 -15.102 6.757 1.00 0.00 O ATOM 0 H GLU A 34 11.932 -15.029 2.644 1.00 0.00 H new ATOM 0 HA GLU A 34 9.864 -15.636 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.690 -13.078 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.482 -13.134 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.340 -14.090 4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.806 -12.463 5.062 1.00 0.00 H new ATOM 487 N LEU A 35 8.889 -14.531 1.513 1.00 0.00 N ATOM 488 CA LEU A 35 7.759 -14.496 0.591 1.00 0.00 C ATOM 489 C LEU A 35 6.955 -15.790 0.665 1.00 0.00 C ATOM 490 O LEU A 35 5.736 -15.767 0.836 1.00 0.00 O ATOM 491 CB LEU A 35 8.250 -14.268 -0.840 1.00 0.00 C ATOM 492 CG LEU A 35 8.349 -12.810 -1.291 1.00 0.00 C ATOM 493 CD1 LEU A 35 8.968 -12.722 -2.678 1.00 0.00 C ATOM 494 CD2 LEU A 35 6.977 -12.152 -1.275 1.00 0.00 C ATOM 0 H LEU A 35 9.737 -14.089 1.158 1.00 0.00 H new ATOM 0 HA LEU A 35 7.110 -13.670 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.233 -14.727 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.580 -14.793 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 35 8.994 -12.276 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 35 9.031 -11.677 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.968 -13.155 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.349 -13.271 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.067 -11.115 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.309 -12.686 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.571 -12.182 -0.264 1.00 0.00 H new ATOM 506 N LEU A 36 7.646 -16.917 0.536 1.00 0.00 N ATOM 507 CA LEU A 36 6.997 -18.223 0.591 1.00 0.00 C ATOM 508 C LEU A 36 6.169 -18.367 1.864 1.00 0.00 C ATOM 509 O LEU A 36 4.943 -18.461 1.813 1.00 0.00 O ATOM 510 CB LEU A 36 8.042 -19.337 0.520 1.00 0.00 C ATOM 511 CG LEU A 36 7.501 -20.767 0.539 1.00 0.00 C ATOM 512 CD1 LEU A 36 6.402 -20.936 -0.498 1.00 0.00 C ATOM 513 CD2 LEU A 36 8.624 -21.766 0.296 1.00 0.00 C ATOM 0 H LEU A 36 8.655 -16.953 0.393 1.00 0.00 H new ATOM 0 HA LEU A 36 6.329 -18.305 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.626 -19.203 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.728 -19.218 1.359 1.00 0.00 H new ATOM 0 HG LEU A 36 7.076 -20.961 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.029 -21.960 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.586 -20.247 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.801 -20.723 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.220 -22.778 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.079 -21.573 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.378 -21.663 1.076 1.00 0.00 H new ATOM 525 N LYS A 37 6.848 -18.381 3.006 1.00 0.00 N ATOM 526 CA LYS A 37 6.177 -18.510 4.294 1.00 0.00 C ATOM 527 C LYS A 37 4.943 -17.616 4.356 1.00 0.00 C ATOM 528 O LYS A 37 3.870 -18.051 4.777 1.00 0.00 O ATOM 529 CB LYS A 37 7.137 -18.151 5.431 1.00 0.00 C ATOM 530 CG LYS A 37 7.847 -19.353 6.030 1.00 0.00 C ATOM 531 CD LYS A 37 7.096 -19.903 7.230 1.00 0.00 C ATOM 532 CE LYS A 37 6.079 -20.956 6.817 1.00 0.00 C ATOM 533 NZ LYS A 37 5.271 -21.431 7.974 1.00 0.00 N ATOM 0 H LYS A 37 7.863 -18.305 3.066 1.00 0.00 H new ATOM 0 HA LYS A 37 5.860 -19.547 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.882 -17.448 5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.581 -17.639 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.947 -20.132 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.856 -19.069 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.804 -20.337 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.589 -19.089 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.416 -20.542 6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.596 -21.802 6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.590 -22.148 7.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.900 -21.849 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.758 -20.629 8.392 1.00 0.00 H new ATOM 547 N ILE A 38 5.101 -16.366 3.933 1.00 0.00 N ATOM 548 CA ILE A 38 3.998 -15.413 3.938 1.00 0.00 C ATOM 549 C ILE A 38 2.768 -15.992 3.247 1.00 0.00 C ATOM 550 O ILE A 38 1.654 -15.905 3.764 1.00 0.00 O ATOM 551 CB ILE A 38 4.390 -14.095 3.245 1.00 0.00 C ATOM 552 CG1 ILE A 38 5.538 -13.419 3.997 1.00 0.00 C ATOM 553 CG2 ILE A 38 3.188 -13.166 3.156 1.00 0.00 C ATOM 554 CD1 ILE A 38 6.327 -12.447 3.149 1.00 0.00 C ATOM 0 H ILE A 38 5.982 -15.990 3.583 1.00 0.00 H new ATOM 0 HA ILE A 38 3.762 -15.209 4.982 1.00 0.00 H new ATOM 0 HB ILE A 38 4.727 -14.320 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.134 -12.890 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.212 -14.185 4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.481 -12.239 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.397 -13.648 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.824 -12.945 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.124 -12.006 3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.761 -12.974 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.666 -11.659 2.788 1.00 0.00 H new ATOM 566 N SER A 39 2.978 -16.584 2.076 1.00 0.00 N ATOM 567 CA SER A 39 1.886 -17.176 1.312 1.00 0.00 C ATOM 568 C SER A 39 1.497 -18.536 1.884 1.00 0.00 C ATOM 569 O SER A 39 0.434 -19.072 1.572 1.00 0.00 O ATOM 570 CB SER A 39 2.284 -17.324 -0.158 1.00 0.00 C ATOM 571 OG SER A 39 2.872 -18.589 -0.402 1.00 0.00 O ATOM 0 H SER A 39 3.894 -16.667 1.635 1.00 0.00 H new ATOM 0 HA SER A 39 1.025 -16.511 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.405 -17.200 -0.790 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.985 -16.535 -0.429 1.00 0.00 H new ATOM 0 HG SER A 39 2.179 -19.224 -0.679 1.00 0.00 H new ATOM 577 N ILE A 40 2.367 -19.088 2.724 1.00 0.00 N ATOM 578 CA ILE A 40 2.116 -20.384 3.340 1.00 0.00 C ATOM 579 C ILE A 40 1.207 -20.247 4.558 1.00 0.00 C ATOM 580 O ILE A 40 0.136 -20.849 4.616 1.00 0.00 O ATOM 581 CB ILE A 40 3.428 -21.069 3.768 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.134 -21.671 2.551 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.151 -22.140 4.811 1.00 0.00 C ATOM 584 CD1 ILE A 40 5.456 -22.326 2.883 1.00 0.00 C ATOM 0 H ILE A 40 3.252 -18.657 2.993 1.00 0.00 H new ATOM 0 HA ILE A 40 1.623 -21.000 2.588 1.00 0.00 H new ATOM 0 HB ILE A 40 4.084 -20.320 4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.478 -22.409 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.302 -20.886 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.088 -22.615 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.687 -21.685 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.479 -22.890 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.900 -22.731 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.129 -21.587 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.293 -23.133 3.597 1.00 0.00 H new ATOM 596 N ALA A 41 1.643 -19.449 5.527 1.00 0.00 N ATOM 597 CA ALA A 41 0.867 -19.229 6.742 1.00 0.00 C ATOM 598 C ALA A 41 -0.594 -18.943 6.415 1.00 0.00 C ATOM 599 O ALA A 41 -1.500 -19.489 7.046 1.00 0.00 O ATOM 600 CB ALA A 41 1.464 -18.086 7.549 1.00 0.00 C ATOM 0 H ALA A 41 2.529 -18.944 5.495 1.00 0.00 H new ATOM 0 HA ALA A 41 0.906 -20.140 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.875 -17.933 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.491 -18.331 7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.455 -17.175 6.951 1.00 0.00 H new ATOM 606 N VAL A 42 -0.818 -18.084 5.426 1.00 0.00 N ATOM 607 CA VAL A 42 -2.171 -17.725 5.016 1.00 0.00 C ATOM 608 C VAL A 42 -2.764 -18.785 4.094 1.00 0.00 C ATOM 609 O VAL A 42 -3.982 -18.919 3.989 1.00 0.00 O ATOM 610 CB VAL A 42 -2.197 -16.363 4.298 1.00 0.00 C ATOM 611 CG1 VAL A 42 -1.733 -15.257 5.234 1.00 0.00 C ATOM 612 CG2 VAL A 42 -1.338 -16.406 3.043 1.00 0.00 C ATOM 0 H VAL A 42 -0.080 -17.623 4.893 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.771 -17.660 5.924 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.223 -16.148 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.758 -14.302 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.393 -15.213 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.715 -15.463 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.368 -15.435 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.309 -16.644 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.721 -17.170 2.366 1.00 0.00 H new ATOM 622 N GLY A 43 -1.893 -19.536 3.427 1.00 0.00 N ATOM 623 CA GLY A 43 -2.350 -20.575 2.523 1.00 0.00 C ATOM 624 C GLY A 43 -2.543 -20.068 1.107 1.00 0.00 C ATOM 625 O GLY A 43 -3.254 -20.683 0.311 1.00 0.00 O ATOM 0 H GLY A 43 -0.880 -19.443 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.628 -21.391 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.291 -20.984 2.891 1.00 0.00 H new ATOM 629 N LEU A 44 -1.910 -18.943 0.793 1.00 0.00 N ATOM 630 CA LEU A 44 -2.017 -18.351 -0.537 1.00 0.00 C ATOM 631 C LEU A 44 -0.818 -18.732 -1.400 1.00 0.00 C ATOM 632 O LEU A 44 0.251 -19.084 -0.900 1.00 0.00 O ATOM 633 CB LEU A 44 -2.122 -16.829 -0.432 1.00 0.00 C ATOM 634 CG LEU A 44 -3.506 -16.274 -0.093 1.00 0.00 C ATOM 635 CD1 LEU A 44 -3.409 -14.813 0.319 1.00 0.00 C ATOM 636 CD2 LEU A 44 -4.450 -16.434 -1.276 1.00 0.00 C ATOM 0 H LEU A 44 -1.318 -18.423 1.440 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.919 -18.739 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.419 -16.488 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.801 -16.396 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.908 -16.842 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.403 -14.435 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.768 -14.724 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.986 -14.231 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.430 -16.034 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.053 -15.892 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.544 -17.491 -1.526 1.00 0.00 H new ATOM 648 N PRO A 45 -0.996 -18.657 -2.727 1.00 0.00 N ATOM 649 CA PRO A 45 0.061 -18.987 -3.688 1.00 0.00 C ATOM 650 C PRO A 45 1.189 -17.961 -3.683 1.00 0.00 C ATOM 651 O PRO A 45 0.974 -16.789 -3.993 1.00 0.00 O ATOM 652 CB PRO A 45 -0.667 -18.976 -5.034 1.00 0.00 C ATOM 653 CG PRO A 45 -1.831 -18.069 -4.827 1.00 0.00 C ATOM 654 CD PRO A 45 -2.244 -18.245 -3.392 1.00 0.00 C ATOM 0 HA PRO A 45 0.541 -19.938 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.019 -18.613 -5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.991 -19.977 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.559 -17.033 -5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.648 -18.323 -5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.638 -17.320 -2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.023 -19.000 -3.288 1.00 0.00 H new ATOM 662 N GLN A 46 2.389 -18.409 -3.330 1.00 0.00 N ATOM 663 CA GLN A 46 3.550 -17.529 -3.286 1.00 0.00 C ATOM 664 C GLN A 46 3.563 -16.583 -4.482 1.00 0.00 C ATOM 665 O GLN A 46 3.943 -15.419 -4.361 1.00 0.00 O ATOM 666 CB GLN A 46 4.840 -18.351 -3.257 1.00 0.00 C ATOM 667 CG GLN A 46 6.064 -17.548 -2.848 1.00 0.00 C ATOM 668 CD GLN A 46 7.335 -18.375 -2.861 1.00 0.00 C ATOM 669 OE1 GLN A 46 7.382 -19.453 -3.455 1.00 0.00 O ATOM 670 NE2 GLN A 46 8.374 -17.874 -2.204 1.00 0.00 N ATOM 0 H GLN A 46 2.583 -19.376 -3.070 1.00 0.00 H new ATOM 0 HA GLN A 46 3.487 -16.933 -2.376 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.715 -19.184 -2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.010 -18.779 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.180 -16.700 -3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.910 -17.141 -1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.291 -16.977 -1.726 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.256 -18.386 -2.178 1.00 0.00 H new ATOM 679 N GLU A 47 3.144 -17.092 -5.637 1.00 0.00 N ATOM 680 CA GLU A 47 3.108 -16.292 -6.856 1.00 0.00 C ATOM 681 C GLU A 47 2.283 -15.025 -6.651 1.00 0.00 C ATOM 682 O GLU A 47 2.681 -13.938 -7.070 1.00 0.00 O ATOM 683 CB GLU A 47 2.529 -17.110 -8.012 1.00 0.00 C ATOM 684 CG GLU A 47 3.297 -18.389 -8.298 1.00 0.00 C ATOM 685 CD GLU A 47 4.799 -18.180 -8.302 1.00 0.00 C ATOM 686 OE1 GLU A 47 5.354 -17.853 -7.232 1.00 0.00 O ATOM 687 OE2 GLU A 47 5.418 -18.342 -9.374 1.00 0.00 O ATOM 0 H GLU A 47 2.825 -18.054 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 47 4.130 -16.003 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.493 -17.362 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.518 -16.494 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.040 -19.138 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.987 -18.786 -9.265 1.00 0.00 H new ATOM 694 N PHE A 48 1.132 -15.174 -6.004 1.00 0.00 N ATOM 695 CA PHE A 48 0.250 -14.042 -5.744 1.00 0.00 C ATOM 696 C PHE A 48 0.903 -13.052 -4.784 1.00 0.00 C ATOM 697 O PHE A 48 1.140 -11.896 -5.133 1.00 0.00 O ATOM 698 CB PHE A 48 -1.081 -14.528 -5.166 1.00 0.00 C ATOM 699 CG PHE A 48 -2.014 -13.413 -4.790 1.00 0.00 C ATOM 700 CD1 PHE A 48 -1.932 -12.815 -3.543 1.00 0.00 C ATOM 701 CD2 PHE A 48 -2.974 -12.964 -5.683 1.00 0.00 C ATOM 702 CE1 PHE A 48 -2.789 -11.788 -3.193 1.00 0.00 C ATOM 703 CE2 PHE A 48 -3.833 -11.937 -5.339 1.00 0.00 C ATOM 704 CZ PHE A 48 -3.742 -11.350 -4.092 1.00 0.00 C ATOM 0 H PHE A 48 0.788 -16.067 -5.650 1.00 0.00 H new ATOM 0 HA PHE A 48 0.064 -13.534 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.572 -15.171 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.884 -15.139 -4.285 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.190 -13.155 -2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.052 -13.421 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.713 -11.329 -2.218 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.575 -11.594 -6.045 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.415 -10.550 -3.820 1.00 0.00 H new ATOM 714 N VAL A 49 1.190 -13.515 -3.571 1.00 0.00 N ATOM 715 CA VAL A 49 1.815 -12.671 -2.560 1.00 0.00 C ATOM 716 C VAL A 49 2.894 -11.786 -3.173 1.00 0.00 C ATOM 717 O VAL A 49 2.928 -10.577 -2.940 1.00 0.00 O ATOM 718 CB VAL A 49 2.439 -13.515 -1.433 1.00 0.00 C ATOM 719 CG1 VAL A 49 3.411 -12.679 -0.614 1.00 0.00 C ATOM 720 CG2 VAL A 49 1.353 -14.106 -0.547 1.00 0.00 C ATOM 0 H VAL A 49 1.000 -14.469 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 49 1.028 -12.043 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 49 2.996 -14.337 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.842 -13.293 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.207 -12.309 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.882 -11.835 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.812 -14.699 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.767 -13.301 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.701 -14.742 -1.146 1.00 0.00 H new ATOM 730 N LYS A 50 3.775 -12.395 -3.960 1.00 0.00 N ATOM 731 CA LYS A 50 4.855 -11.662 -4.610 1.00 0.00 C ATOM 732 C LYS A 50 4.339 -10.368 -5.230 1.00 0.00 C ATOM 733 O LYS A 50 4.768 -9.277 -4.857 1.00 0.00 O ATOM 734 CB LYS A 50 5.512 -12.530 -5.686 1.00 0.00 C ATOM 735 CG LYS A 50 6.423 -11.754 -6.621 1.00 0.00 C ATOM 736 CD LYS A 50 7.766 -11.459 -5.974 1.00 0.00 C ATOM 737 CE LYS A 50 8.480 -10.311 -6.670 1.00 0.00 C ATOM 738 NZ LYS A 50 9.728 -9.920 -5.958 1.00 0.00 N ATOM 0 H LYS A 50 3.762 -13.395 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 50 5.597 -11.410 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.088 -13.319 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.734 -13.018 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.577 -12.325 -7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.942 -10.818 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.618 -11.213 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.391 -12.351 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.721 -10.600 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.812 -9.452 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.185 -9.135 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.496 -9.620 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.376 -10.732 -5.922 1.00 0.00 H new ATOM 752 N GLU A 51 3.416 -10.498 -6.178 1.00 0.00 N ATOM 753 CA GLU A 51 2.842 -9.338 -6.849 1.00 0.00 C ATOM 754 C GLU A 51 2.307 -8.332 -5.834 1.00 0.00 C ATOM 755 O GLU A 51 2.522 -7.128 -5.965 1.00 0.00 O ATOM 756 CB GLU A 51 1.720 -9.771 -7.795 1.00 0.00 C ATOM 757 CG GLU A 51 2.220 -10.421 -9.074 1.00 0.00 C ATOM 758 CD GLU A 51 1.104 -11.063 -9.876 1.00 0.00 C ATOM 759 OE1 GLU A 51 0.169 -10.340 -10.278 1.00 0.00 O ATOM 760 OE2 GLU A 51 1.168 -12.290 -10.103 1.00 0.00 O ATOM 0 H GLU A 51 3.050 -11.395 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 51 3.631 -8.859 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.066 -10.470 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.116 -8.901 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.719 -9.671 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.965 -11.177 -8.826 1.00 0.00 H new ATOM 767 N TRP A 52 1.608 -8.837 -4.823 1.00 0.00 N ATOM 768 CA TRP A 52 1.041 -7.983 -3.786 1.00 0.00 C ATOM 769 C TRP A 52 2.104 -7.063 -3.196 1.00 0.00 C ATOM 770 O TRP A 52 1.949 -5.842 -3.191 1.00 0.00 O ATOM 771 CB TRP A 52 0.416 -8.836 -2.680 1.00 0.00 C ATOM 772 CG TRP A 52 -0.230 -8.025 -1.598 1.00 0.00 C ATOM 773 CD1 TRP A 52 -1.457 -7.427 -1.642 1.00 0.00 C ATOM 774 CD2 TRP A 52 0.320 -7.721 -0.311 1.00 0.00 C ATOM 775 NE1 TRP A 52 -1.703 -6.770 -0.461 1.00 0.00 N ATOM 776 CE2 TRP A 52 -0.629 -6.936 0.373 1.00 0.00 C ATOM 777 CE3 TRP A 52 1.521 -8.037 0.331 1.00 0.00 C ATOM 778 CZ2 TRP A 52 -0.412 -6.464 1.664 1.00 0.00 C ATOM 779 CZ3 TRP A 52 1.734 -7.567 1.613 1.00 0.00 C ATOM 780 CH2 TRP A 52 0.772 -6.788 2.269 1.00 0.00 C ATOM 0 H TRP A 52 1.421 -9.832 -4.700 1.00 0.00 H new ATOM 0 HA TRP A 52 0.266 -7.366 -4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -0.328 -9.500 -3.120 1.00 0.00 H new ATOM 0 HB3 TRP A 52 1.187 -9.468 -2.239 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.135 -7.465 -2.482 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.549 -6.244 -0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.269 -8.637 -0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.152 -5.863 2.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.659 -7.804 2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 52 0.968 -6.437 3.271 1.00 0.00 H new ATOM 791 N PHE A 53 3.184 -7.657 -2.699 1.00 0.00 N ATOM 792 CA PHE A 53 4.274 -6.890 -2.105 1.00 0.00 C ATOM 793 C PHE A 53 4.789 -5.834 -3.079 1.00 0.00 C ATOM 794 O PHE A 53 5.074 -4.703 -2.689 1.00 0.00 O ATOM 795 CB PHE A 53 5.416 -7.821 -1.694 1.00 0.00 C ATOM 796 CG PHE A 53 5.301 -8.323 -0.283 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.579 -9.471 0.002 1.00 0.00 C ATOM 798 CD2 PHE A 53 5.916 -7.648 0.759 1.00 0.00 C ATOM 799 CE1 PHE A 53 4.471 -9.934 1.299 1.00 0.00 C ATOM 800 CE2 PHE A 53 5.812 -8.107 2.059 1.00 0.00 C ATOM 801 CZ PHE A 53 5.089 -9.252 2.329 1.00 0.00 C ATOM 0 H PHE A 53 3.328 -8.667 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 53 3.889 -6.385 -1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.442 -8.673 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.363 -7.294 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.095 -10.010 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.484 -6.752 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.904 -10.829 1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.296 -7.571 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.007 -9.614 3.343 1.00 0.00 H new ATOM 811 N GLU A 54 4.906 -6.215 -4.347 1.00 0.00 N ATOM 812 CA GLU A 54 5.389 -5.301 -5.377 1.00 0.00 C ATOM 813 C GLU A 54 4.453 -4.105 -5.524 1.00 0.00 C ATOM 814 O GLU A 54 4.874 -2.956 -5.393 1.00 0.00 O ATOM 815 CB GLU A 54 5.518 -6.029 -6.716 1.00 0.00 C ATOM 816 CG GLU A 54 6.456 -7.224 -6.672 1.00 0.00 C ATOM 817 CD GLU A 54 7.135 -7.482 -8.003 1.00 0.00 C ATOM 818 OE1 GLU A 54 6.428 -7.534 -9.030 1.00 0.00 O ATOM 819 OE2 GLU A 54 8.375 -7.632 -8.016 1.00 0.00 O ATOM 0 H GLU A 54 4.674 -7.149 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 54 6.371 -4.938 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.531 -6.364 -7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.874 -5.326 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.215 -7.057 -5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.895 -8.111 -6.377 1.00 0.00 H new ATOM 826 N GLN A 55 3.183 -4.384 -5.798 1.00 0.00 N ATOM 827 CA GLN A 55 2.188 -3.332 -5.964 1.00 0.00 C ATOM 828 C GLN A 55 2.309 -2.289 -4.858 1.00 0.00 C ATOM 829 O GLN A 55 2.321 -1.087 -5.124 1.00 0.00 O ATOM 830 CB GLN A 55 0.779 -3.928 -5.968 1.00 0.00 C ATOM 831 CG GLN A 55 0.442 -4.685 -7.242 1.00 0.00 C ATOM 832 CD GLN A 55 1.167 -4.138 -8.455 1.00 0.00 C ATOM 833 OE1 GLN A 55 0.761 -3.130 -9.033 1.00 0.00 O ATOM 834 NE2 GLN A 55 2.248 -4.801 -8.849 1.00 0.00 N ATOM 0 H GLN A 55 2.819 -5.330 -5.910 1.00 0.00 H new ATOM 0 HA GLN A 55 2.370 -2.843 -6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.676 -4.601 -5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.054 -3.126 -5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.699 -5.737 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.633 -4.638 -7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.550 -5.632 -8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.777 -4.479 -9.660 1.00 0.00 H new ATOM 843 N ARG A 56 2.398 -2.757 -3.618 1.00 0.00 N ATOM 844 CA ARG A 56 2.516 -1.864 -2.471 1.00 0.00 C ATOM 845 C ARG A 56 3.515 -0.745 -2.753 1.00 0.00 C ATOM 846 O ARG A 56 3.364 0.375 -2.266 1.00 0.00 O ATOM 847 CB ARG A 56 2.949 -2.647 -1.230 1.00 0.00 C ATOM 848 CG ARG A 56 3.178 -1.774 -0.008 1.00 0.00 C ATOM 849 CD ARG A 56 2.836 -2.513 1.277 1.00 0.00 C ATOM 850 NE ARG A 56 3.665 -2.076 2.397 1.00 0.00 N ATOM 851 CZ ARG A 56 3.591 -0.864 2.937 1.00 0.00 C ATOM 852 NH1 ARG A 56 2.730 0.025 2.462 1.00 0.00 N ATOM 853 NH2 ARG A 56 4.379 -0.541 3.954 1.00 0.00 N ATOM 0 H ARG A 56 2.391 -3.749 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 56 1.538 -1.418 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.188 -3.391 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.867 -3.190 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.219 -1.453 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.569 -0.873 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.786 -2.352 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.968 -3.584 1.125 1.00 0.00 H new ATOM 0 HE ARG A 56 4.337 -2.737 2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.122 -0.221 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.675 0.955 2.878 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.042 -1.223 4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.322 0.389 4.368 1.00 0.00 H new ATOM 867 N LYS A 57 4.536 -1.057 -3.544 1.00 0.00 N ATOM 868 CA LYS A 57 5.561 -0.080 -3.893 1.00 0.00 C ATOM 869 C LYS A 57 4.975 1.041 -4.746 1.00 0.00 C ATOM 870 O LYS A 57 5.344 2.206 -4.597 1.00 0.00 O ATOM 871 CB LYS A 57 6.709 -0.759 -4.642 1.00 0.00 C ATOM 872 CG LYS A 57 7.345 -1.903 -3.872 1.00 0.00 C ATOM 873 CD LYS A 57 8.740 -2.216 -4.389 1.00 0.00 C ATOM 874 CE LYS A 57 8.700 -3.233 -5.519 1.00 0.00 C ATOM 875 NZ LYS A 57 10.010 -3.333 -6.222 1.00 0.00 N ATOM 0 H LYS A 57 4.676 -1.980 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 57 5.945 0.353 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.337 -1.136 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.473 -0.016 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.397 -1.646 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.718 -2.791 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.213 -1.299 -4.740 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.354 -2.600 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.427 -4.210 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.925 -2.953 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.942 -4.036 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.259 -2.407 -6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.745 -3.625 -5.547 1.00 0.00 H new ATOM 889 N VAL A 58 4.059 0.681 -5.640 1.00 0.00 N ATOM 890 CA VAL A 58 3.420 1.657 -6.515 1.00 0.00 C ATOM 891 C VAL A 58 2.880 2.839 -5.719 1.00 0.00 C ATOM 892 O VAL A 58 3.031 3.993 -6.121 1.00 0.00 O ATOM 893 CB VAL A 58 2.268 1.022 -7.316 1.00 0.00 C ATOM 894 CG1 VAL A 58 1.705 2.016 -8.321 1.00 0.00 C ATOM 895 CG2 VAL A 58 2.739 -0.244 -8.015 1.00 0.00 C ATOM 0 H VAL A 58 3.743 -0.279 -5.777 1.00 0.00 H new ATOM 0 HA VAL A 58 4.184 2.009 -7.208 1.00 0.00 H new ATOM 0 HB VAL A 58 1.472 0.752 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.892 1.550 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.328 2.892 -7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.491 2.319 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.912 -0.679 -8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.553 -0.001 -8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.090 -0.960 -7.272 1.00 0.00 H new ATOM 905 N TYR A 59 2.251 2.544 -4.586 1.00 0.00 N ATOM 906 CA TYR A 59 1.686 3.583 -3.733 1.00 0.00 C ATOM 907 C TYR A 59 2.784 4.317 -2.969 1.00 0.00 C ATOM 908 O TYR A 59 2.703 5.526 -2.754 1.00 0.00 O ATOM 909 CB TYR A 59 0.683 2.976 -2.751 1.00 0.00 C ATOM 910 CG TYR A 59 -0.159 1.872 -3.350 1.00 0.00 C ATOM 911 CD1 TYR A 59 0.340 0.581 -3.472 1.00 0.00 C ATOM 912 CD2 TYR A 59 -1.452 2.120 -3.793 1.00 0.00 C ATOM 913 CE1 TYR A 59 -0.426 -0.431 -4.020 1.00 0.00 C ATOM 914 CE2 TYR A 59 -2.224 1.114 -4.340 1.00 0.00 C ATOM 915 CZ TYR A 59 -1.707 -0.159 -4.452 1.00 0.00 C ATOM 916 OH TYR A 59 -2.473 -1.164 -4.997 1.00 0.00 O ATOM 0 H TYR A 59 2.120 1.594 -4.237 1.00 0.00 H new ATOM 0 HA TYR A 59 1.170 4.301 -4.371 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.223 2.583 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.026 3.764 -2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.342 0.365 -3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.860 3.116 -3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.023 -1.429 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.228 1.324 -4.678 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.350 -0.807 -5.249 1.00 0.00 H new ATOM 926 N GLN A 60 3.809 3.575 -2.561 1.00 0.00 N ATOM 927 CA GLN A 60 4.923 4.154 -1.820 1.00 0.00 C ATOM 928 C GLN A 60 5.597 5.260 -2.626 1.00 0.00 C ATOM 929 O GLN A 60 6.056 6.257 -2.068 1.00 0.00 O ATOM 930 CB GLN A 60 5.944 3.072 -1.464 1.00 0.00 C ATOM 931 CG GLN A 60 5.511 2.183 -0.310 1.00 0.00 C ATOM 932 CD GLN A 60 5.898 2.750 1.041 1.00 0.00 C ATOM 933 OE1 GLN A 60 7.038 2.606 1.484 1.00 0.00 O ATOM 934 NE2 GLN A 60 4.949 3.400 1.704 1.00 0.00 N ATOM 0 H GLN A 60 3.891 2.573 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 60 4.528 4.588 -0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.124 2.452 -2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.891 3.548 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.430 2.048 -0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.960 1.197 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.018 3.495 1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.151 3.804 2.619 1.00 0.00 H new ATOM 943 N TYR A 61 5.652 5.077 -3.941 1.00 0.00 N ATOM 944 CA TYR A 61 6.272 6.058 -4.823 1.00 0.00 C ATOM 945 C TYR A 61 5.245 7.070 -5.319 1.00 0.00 C ATOM 946 O TYR A 61 5.554 8.249 -5.496 1.00 0.00 O ATOM 947 CB TYR A 61 6.932 5.359 -6.014 1.00 0.00 C ATOM 948 CG TYR A 61 8.401 5.068 -5.807 1.00 0.00 C ATOM 949 CD1 TYR A 61 9.367 6.016 -6.121 1.00 0.00 C ATOM 950 CD2 TYR A 61 8.823 3.845 -5.300 1.00 0.00 C ATOM 951 CE1 TYR A 61 10.711 5.754 -5.935 1.00 0.00 C ATOM 952 CE2 TYR A 61 10.164 3.576 -5.109 1.00 0.00 C ATOM 953 CZ TYR A 61 11.104 4.533 -5.428 1.00 0.00 C ATOM 954 OH TYR A 61 12.442 4.268 -5.240 1.00 0.00 O ATOM 0 H TYR A 61 5.275 4.259 -4.419 1.00 0.00 H new ATOM 0 HA TYR A 61 7.034 6.590 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.409 4.423 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.815 5.982 -6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.062 6.974 -6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.090 3.092 -5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.450 6.501 -6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.475 2.621 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 61 12.548 3.365 -4.875 1.00 0.00 H new ATOM 964 N SER A 62 4.021 6.602 -5.541 1.00 0.00 N ATOM 965 CA SER A 62 2.947 7.465 -6.020 1.00 0.00 C ATOM 966 C SER A 62 2.289 8.206 -4.860 1.00 0.00 C ATOM 967 O SER A 62 2.327 7.753 -3.717 1.00 0.00 O ATOM 968 CB SER A 62 1.901 6.642 -6.774 1.00 0.00 C ATOM 969 OG SER A 62 1.258 7.422 -7.767 1.00 0.00 O ATOM 0 H SER A 62 3.748 5.630 -5.397 1.00 0.00 H new ATOM 0 HA SER A 62 3.379 8.200 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.378 5.779 -7.238 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.160 6.258 -6.072 1.00 0.00 H new ATOM 0 HG SER A 62 0.595 6.873 -8.236 1.00 0.00 H new ATOM 975 N ASN A 63 1.684 9.350 -5.165 1.00 0.00 N ATOM 976 CA ASN A 63 1.017 10.156 -4.149 1.00 0.00 C ATOM 977 C ASN A 63 -0.246 9.463 -3.647 1.00 0.00 C ATOM 978 O ASN A 63 -1.080 9.021 -4.438 1.00 0.00 O ATOM 979 CB ASN A 63 0.666 11.535 -4.711 1.00 0.00 C ATOM 980 CG ASN A 63 1.885 12.425 -4.863 1.00 0.00 C ATOM 981 OD1 ASN A 63 2.870 12.044 -5.495 1.00 0.00 O ATOM 982 ND2 ASN A 63 1.823 13.617 -4.282 1.00 0.00 N ATOM 0 H ASN A 63 1.642 9.739 -6.107 1.00 0.00 H new ATOM 0 HA ASN A 63 1.702 10.277 -3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.183 11.417 -5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.055 12.020 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.613 14.259 -4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.986 13.891 -3.768 1.00 0.00 H new ATOM 989 N SER A 64 -0.380 9.372 -2.328 1.00 0.00 N ATOM 990 CA SER A 64 -1.540 8.729 -1.720 1.00 0.00 C ATOM 991 C SER A 64 -2.795 9.575 -1.918 1.00 0.00 C ATOM 992 O SER A 64 -3.806 9.094 -2.429 1.00 0.00 O ATOM 993 CB SER A 64 -1.297 8.498 -0.228 1.00 0.00 C ATOM 994 OG SER A 64 -0.141 7.706 -0.016 1.00 0.00 O ATOM 0 H SER A 64 0.300 9.735 -1.660 1.00 0.00 H new ATOM 0 HA SER A 64 -1.690 7.767 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.182 9.457 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.164 8.007 0.213 1.00 0.00 H new ATOM 0 HG SER A 64 -0.007 7.574 0.946 1.00 0.00 H new ATOM 1000 N ARG A 65 -2.721 10.837 -1.509 1.00 0.00 N ATOM 1001 CA ARG A 65 -3.850 11.750 -1.639 1.00 0.00 C ATOM 1002 C ARG A 65 -3.395 13.105 -2.172 1.00 0.00 C ATOM 1003 O ARG A 65 -2.200 13.399 -2.210 1.00 0.00 O ATOM 1004 CB ARG A 65 -4.547 11.929 -0.289 1.00 0.00 C ATOM 1005 CG ARG A 65 -3.730 12.722 0.718 1.00 0.00 C ATOM 1006 CD ARG A 65 -4.562 13.108 1.930 1.00 0.00 C ATOM 1007 NE ARG A 65 -3.730 13.534 3.053 1.00 0.00 N ATOM 1008 CZ ARG A 65 -3.076 14.689 3.085 1.00 0.00 C ATOM 1009 NH1 ARG A 65 -3.156 15.530 2.063 1.00 0.00 N ATOM 1010 NH2 ARG A 65 -2.338 15.006 4.142 1.00 0.00 N ATOM 0 H ARG A 65 -1.891 11.251 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.555 11.317 -2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.501 12.432 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.769 10.947 0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.872 12.131 1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.338 13.621 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.245 13.913 1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.175 12.259 2.234 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.647 12.910 3.856 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.721 15.291 1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.652 16.416 2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.273 14.362 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.836 15.894 4.166 1.00 0.00 H new ATOM 1024 N SER A 66 -4.356 13.926 -2.584 1.00 0.00 N ATOM 1025 CA SER A 66 -4.053 15.249 -3.119 1.00 0.00 C ATOM 1026 C SER A 66 -4.228 16.321 -2.048 1.00 0.00 C ATOM 1027 O SER A 66 -4.660 16.035 -0.932 1.00 0.00 O ATOM 1028 CB SER A 66 -4.955 15.556 -4.316 1.00 0.00 C ATOM 1029 OG SER A 66 -4.362 16.521 -5.167 1.00 0.00 O ATOM 0 H SER A 66 -5.350 13.699 -2.558 1.00 0.00 H new ATOM 0 HA SER A 66 -3.013 15.253 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.145 14.641 -4.876 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.920 15.921 -3.964 1.00 0.00 H new ATOM 0 HG SER A 66 -4.957 16.699 -5.925 1.00 0.00 H new ATOM 1035 N GLY A 67 -3.888 17.558 -2.397 1.00 0.00 N ATOM 1036 CA GLY A 67 -4.013 18.656 -1.455 1.00 0.00 C ATOM 1037 C GLY A 67 -5.193 19.555 -1.767 1.00 0.00 C ATOM 1038 O GLY A 67 -5.844 19.424 -2.804 1.00 0.00 O ATOM 0 H GLY A 67 -3.528 17.820 -3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.122 18.256 -0.447 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.097 19.247 -1.466 1.00 0.00 H new ATOM 1042 N PRO A 68 -5.484 20.493 -0.854 1.00 0.00 N ATOM 1043 CA PRO A 68 -6.595 21.436 -1.014 1.00 0.00 C ATOM 1044 C PRO A 68 -6.338 22.453 -2.121 1.00 0.00 C ATOM 1045 O PRO A 68 -7.216 23.243 -2.467 1.00 0.00 O ATOM 1046 CB PRO A 68 -6.668 22.133 0.347 1.00 0.00 C ATOM 1047 CG PRO A 68 -5.292 22.017 0.905 1.00 0.00 C ATOM 1048 CD PRO A 68 -4.750 20.707 0.405 1.00 0.00 C ATOM 0 HA PRO A 68 -7.518 20.933 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.966 23.176 0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.401 21.656 0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.667 22.848 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.310 22.041 1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.674 20.754 0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.928 19.901 1.116 1.00 0.00 H new ATOM 1056 N SER A 69 -5.129 22.427 -2.673 1.00 0.00 N ATOM 1057 CA SER A 69 -4.756 23.350 -3.738 1.00 0.00 C ATOM 1058 C SER A 69 -3.967 22.630 -4.828 1.00 0.00 C ATOM 1059 O SER A 69 -3.674 21.440 -4.714 1.00 0.00 O ATOM 1060 CB SER A 69 -3.928 24.506 -3.174 1.00 0.00 C ATOM 1061 OG SER A 69 -2.599 24.096 -2.900 1.00 0.00 O ATOM 0 H SER A 69 -4.392 21.777 -2.400 1.00 0.00 H new ATOM 0 HA SER A 69 -5.671 23.748 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.918 25.331 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.392 24.878 -2.261 1.00 0.00 H new ATOM 0 HG SER A 69 -2.090 24.853 -2.542 1.00 0.00 H new ATOM 1067 N SER A 70 -3.628 23.361 -5.885 1.00 0.00 N ATOM 1068 CA SER A 70 -2.877 22.793 -6.999 1.00 0.00 C ATOM 1069 C SER A 70 -1.399 22.661 -6.646 1.00 0.00 C ATOM 1070 O SER A 70 -0.926 23.251 -5.676 1.00 0.00 O ATOM 1071 CB SER A 70 -3.040 23.662 -8.247 1.00 0.00 C ATOM 1072 OG SER A 70 -2.391 24.912 -8.087 1.00 0.00 O ATOM 0 H SER A 70 -3.861 24.348 -5.994 1.00 0.00 H new ATOM 0 HA SER A 70 -3.274 21.799 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.627 23.143 -9.112 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.100 23.822 -8.447 1.00 0.00 H new ATOM 0 HG SER A 70 -2.509 25.448 -8.899 1.00 0.00 H new ATOM 1078 N GLY A 71 -0.674 21.882 -7.443 1.00 0.00 N ATOM 1079 CA GLY A 71 0.743 21.686 -7.199 1.00 0.00 C ATOM 1080 C GLY A 71 1.173 20.247 -7.404 1.00 0.00 C ATOM 1081 O GLY A 71 1.866 19.674 -6.564 1.00 0.00 O ATOM 0 H GLY A 71 -1.043 21.383 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.316 22.331 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.978 21.991 -6.179 1.00 0.00 H new TER 1085 GLY A 71