USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 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 22 THR OG1 : rot -31:sc= 0.371 USER MOD Set 1.2: A 25 THR OG1 : rot -68:sc= 1.68 USER MOD Set 1.3: A 27 CYS SG : rot -87:sc= 1.24 USER MOD Set 2.1: A 12 SER OG : rot -161:sc= 0.229 USER MOD Set 2.2: A 15 GLN : amide:sc= -1.09 K(o=-0.86,f=-3.9) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 2.24 (180deg=2.14) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -105:sc= 0.671 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -58:sc= -0.726 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 39 ASN : amide:sc= 0.389 K(o=0.39,f=-5.7!) USER MOD Single : A 40 HIS : no HD1:sc= -0.0283 X(o=-0.028,f=-0.027) USER MOD Single : A 42 ASN : amide:sc= -0.241 K(o=-0.24,f=-8!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0022) USER MOD Single : A 50 TYR OH : rot 165:sc= -0.167 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 1.82 (180deg=1.82) USER MOD Single : A 57 THR OG1 : rot -43:sc= 0.585 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 19.096 -10.428 -2.052 1.00 0.00 N ATOM 2 CA ILE A 6 19.394 -10.509 -3.476 1.00 0.00 C ATOM 3 C ILE A 6 18.575 -9.463 -4.236 1.00 0.00 C ATOM 4 O ILE A 6 18.031 -9.732 -5.307 1.00 0.00 O ATOM 5 CB ILE A 6 19.219 -11.929 -4.031 1.00 0.00 C ATOM 6 CG1 ILE A 6 19.844 -13.014 -3.140 1.00 0.00 C ATOM 7 CG2 ILE A 6 19.937 -12.006 -5.382 1.00 0.00 C ATOM 8 CD1 ILE A 6 18.913 -13.471 -2.014 1.00 0.00 C ATOM 0 HA ILE A 6 20.449 -10.279 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 6 18.146 -12.112 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 6 20.110 -13.873 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 6 20.769 -12.633 -2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.826 -13.008 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.501 -11.279 -6.068 1.00 0.00 H new ATOM 0 HG23 ILE A 6 20.996 -11.785 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.410 -14.238 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.667 -12.621 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 6 17.998 -13.880 -2.442 1.00 0.00 H new ATOM 19 N LYS A 7 18.476 -8.254 -3.681 1.00 0.00 N ATOM 20 CA LYS A 7 17.807 -7.160 -4.355 1.00 0.00 C ATOM 21 C LYS A 7 18.669 -6.725 -5.530 1.00 0.00 C ATOM 22 O LYS A 7 19.891 -6.631 -5.410 1.00 0.00 O ATOM 23 CB LYS A 7 17.563 -6.022 -3.363 1.00 0.00 C ATOM 24 CG LYS A 7 16.583 -6.414 -2.253 1.00 0.00 C ATOM 25 CD LYS A 7 15.111 -6.218 -2.625 1.00 0.00 C ATOM 26 CE LYS A 7 14.625 -7.215 -3.677 1.00 0.00 C ATOM 27 NZ LYS A 7 13.180 -7.068 -3.924 1.00 0.00 N ATOM 0 H LYS A 7 18.854 -8.016 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 7 16.834 -7.468 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.512 -5.723 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.174 -5.155 -3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.745 -7.460 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.804 -5.825 -1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.499 -6.316 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.968 -5.204 -2.999 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.173 -7.062 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.838 -8.231 -3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.846 -7.860 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.671 -7.069 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.002 -6.171 -4.420 1.00 0.00 H new ATOM 41 N ARG A 8 18.028 -6.463 -6.668 1.00 0.00 N ATOM 42 CA ARG A 8 18.712 -6.244 -7.935 1.00 0.00 C ATOM 43 C ARG A 8 18.750 -4.782 -8.366 1.00 0.00 C ATOM 44 O ARG A 8 18.843 -4.481 -9.557 1.00 0.00 O ATOM 45 CB ARG A 8 18.103 -7.176 -8.977 1.00 0.00 C ATOM 46 CG ARG A 8 16.722 -6.703 -9.367 1.00 0.00 C ATOM 47 CD ARG A 8 16.024 -7.740 -10.234 1.00 0.00 C ATOM 48 NE ARG A 8 14.776 -7.190 -10.780 1.00 0.00 N ATOM 49 CZ ARG A 8 13.842 -7.896 -11.421 1.00 0.00 C ATOM 50 NH1 ARG A 8 13.976 -9.208 -11.597 1.00 0.00 N ATOM 51 NH2 ARG A 8 12.764 -7.276 -11.888 1.00 0.00 N ATOM 0 H ARG A 8 17.012 -6.397 -6.734 1.00 0.00 H new ATOM 0 HA ARG A 8 19.767 -6.491 -7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 8 18.743 -7.214 -9.858 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.048 -8.189 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 8 16.131 -6.513 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.794 -5.759 -9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.681 -8.046 -11.048 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.810 -8.632 -9.645 1.00 0.00 H new ATOM 0 HE ARG A 8 14.610 -6.191 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.802 -9.689 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.253 -9.733 -12.089 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.656 -6.270 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.044 -7.806 -12.379 1.00 0.00 H new ATOM 65 N LYS A 9 18.673 -3.877 -7.389 1.00 0.00 N ATOM 66 CA LYS A 9 18.618 -2.434 -7.614 1.00 0.00 C ATOM 67 C LYS A 9 17.531 -2.075 -8.629 1.00 0.00 C ATOM 68 O LYS A 9 17.780 -1.350 -9.594 1.00 0.00 O ATOM 69 CB LYS A 9 20.002 -1.903 -8.001 1.00 0.00 C ATOM 70 CG LYS A 9 21.021 -2.190 -6.897 1.00 0.00 C ATOM 71 CD LYS A 9 22.384 -1.613 -7.289 1.00 0.00 C ATOM 72 CE LYS A 9 23.395 -1.905 -6.182 1.00 0.00 C ATOM 73 NZ LYS A 9 24.731 -1.380 -6.526 1.00 0.00 N ATOM 0 H LYS A 9 18.647 -4.132 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 9 18.337 -1.939 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.327 -2.367 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.947 -0.829 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.686 -1.751 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.103 -3.265 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.720 -2.051 -8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 9 22.304 -0.538 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.055 -1.457 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.456 -2.981 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.397 -1.593 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.064 -1.826 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.675 -0.350 -6.660 1.00 0.00 H new ATOM 87 N ASP A 10 16.325 -2.599 -8.402 1.00 0.00 N ATOM 88 CA ASP A 10 15.186 -2.436 -9.295 1.00 0.00 C ATOM 89 C ASP A 10 13.891 -2.339 -8.516 1.00 0.00 C ATOM 90 O ASP A 10 12.953 -1.671 -8.945 1.00 0.00 O ATOM 91 CB ASP A 10 15.155 -3.635 -10.236 1.00 0.00 C ATOM 92 CG ASP A 10 14.045 -3.542 -11.278 1.00 0.00 C ATOM 93 OD1 ASP A 10 13.966 -2.496 -11.960 1.00 0.00 O ATOM 94 OD2 ASP A 10 13.280 -4.527 -11.383 1.00 0.00 O ATOM 0 H ASP A 10 16.113 -3.158 -7.576 1.00 0.00 H new ATOM 0 HA ASP A 10 15.290 -1.510 -9.861 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.116 -3.718 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.023 -4.546 -9.652 1.00 0.00 H new ATOM 99 N ALA A 11 13.844 -3.005 -7.366 1.00 0.00 N ATOM 100 CA ALA A 11 12.703 -2.900 -6.497 1.00 0.00 C ATOM 101 C ALA A 11 13.128 -3.258 -5.081 1.00 0.00 C ATOM 102 O ALA A 11 13.268 -4.429 -4.732 1.00 0.00 O ATOM 103 CB ALA A 11 11.617 -3.816 -7.042 1.00 0.00 C ATOM 0 H ALA A 11 14.585 -3.618 -7.026 1.00 0.00 H new ATOM 0 HA ALA A 11 12.303 -1.887 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.737 -3.758 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.352 -3.505 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.983 -4.842 -7.062 1.00 0.00 H new ATOM 109 N SER A 12 13.329 -2.215 -4.276 1.00 0.00 N ATOM 110 CA SER A 12 13.673 -2.298 -2.866 1.00 0.00 C ATOM 111 C SER A 12 12.716 -3.212 -2.093 1.00 0.00 C ATOM 112 O SER A 12 11.637 -3.537 -2.585 1.00 0.00 O ATOM 113 CB SER A 12 13.673 -0.876 -2.301 1.00 0.00 C ATOM 114 OG SER A 12 13.181 -0.797 -0.984 1.00 0.00 O ATOM 0 H SER A 12 13.252 -1.253 -4.606 1.00 0.00 H new ATOM 0 HA SER A 12 14.661 -2.745 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.690 -0.483 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.069 -0.237 -2.945 1.00 0.00 H new ATOM 0 HG SER A 12 12.923 0.127 -0.786 1.00 0.00 H new ATOM 120 N PRO A 13 13.096 -3.635 -0.876 1.00 0.00 N ATOM 121 CA PRO A 13 12.297 -4.511 -0.033 1.00 0.00 C ATOM 122 C PRO A 13 11.006 -3.819 0.353 1.00 0.00 C ATOM 123 O PRO A 13 9.982 -4.438 0.636 1.00 0.00 O ATOM 124 CB PRO A 13 13.132 -4.694 1.235 1.00 0.00 C ATOM 125 CG PRO A 13 14.562 -4.390 0.802 1.00 0.00 C ATOM 126 CD PRO A 13 14.329 -3.272 -0.205 1.00 0.00 C ATOM 0 HA PRO A 13 12.055 -5.447 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.805 -4.018 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.043 -5.708 1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.186 -4.070 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.050 -5.255 0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.241 -2.305 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.156 -3.195 -0.910 1.00 0.00 H new ATOM 134 N GLU A 14 11.104 -2.495 0.357 1.00 0.00 N ATOM 135 CA GLU A 14 10.015 -1.598 0.638 1.00 0.00 C ATOM 136 C GLU A 14 9.280 -1.267 -0.638 1.00 0.00 C ATOM 137 O GLU A 14 8.058 -1.324 -0.681 1.00 0.00 O ATOM 138 CB GLU A 14 10.613 -0.313 1.195 1.00 0.00 C ATOM 139 CG GLU A 14 11.427 -0.631 2.445 1.00 0.00 C ATOM 140 CD GLU A 14 11.973 0.622 3.128 1.00 0.00 C ATOM 141 OE1 GLU A 14 11.300 1.676 3.051 1.00 0.00 O ATOM 142 OE2 GLU A 14 13.067 0.518 3.729 1.00 0.00 O ATOM 0 H GLU A 14 11.979 -2.010 0.156 1.00 0.00 H new ATOM 0 HA GLU A 14 9.322 -2.057 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.247 0.160 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.820 0.396 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.803 -1.181 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.257 -1.284 2.176 1.00 0.00 H new ATOM 149 N GLN A 15 10.042 -0.921 -1.675 1.00 0.00 N ATOM 150 CA GLN A 15 9.505 -0.419 -2.926 1.00 0.00 C ATOM 151 C GLN A 15 8.784 -1.518 -3.695 1.00 0.00 C ATOM 152 O GLN A 15 8.022 -1.226 -4.612 1.00 0.00 O ATOM 153 CB GLN A 15 10.677 0.101 -3.764 1.00 0.00 C ATOM 154 CG GLN A 15 11.148 1.515 -3.392 1.00 0.00 C ATOM 155 CD GLN A 15 11.345 1.734 -1.910 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.463 1.744 -1.403 1.00 0.00 O ATOM 157 NE2 GLN A 15 10.239 1.908 -1.201 1.00 0.00 N ATOM 0 H GLN A 15 11.060 -0.984 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 15 8.785 0.373 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.516 -0.587 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.388 0.093 -4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.087 1.720 -3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.419 2.237 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.330 1.892 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.297 2.058 -0.194 1.00 0.00 H new ATOM 166 N GLU A 16 9.015 -2.781 -3.335 1.00 0.00 N ATOM 167 CA GLU A 16 8.350 -3.880 -4.016 1.00 0.00 C ATOM 168 C GLU A 16 6.914 -3.982 -3.530 1.00 0.00 C ATOM 169 O GLU A 16 6.102 -4.688 -4.128 1.00 0.00 O ATOM 170 CB GLU A 16 9.114 -5.187 -3.813 1.00 0.00 C ATOM 171 CG GLU A 16 9.117 -5.586 -2.338 1.00 0.00 C ATOM 172 CD GLU A 16 9.746 -6.964 -2.144 1.00 0.00 C ATOM 173 OE1 GLU A 16 10.989 -7.060 -2.270 1.00 0.00 O ATOM 174 OE2 GLU A 16 8.983 -7.917 -1.873 1.00 0.00 O ATOM 0 H GLU A 16 9.649 -3.061 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 16 8.335 -3.686 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.657 -5.978 -4.408 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.139 -5.074 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.669 -4.846 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.096 -5.592 -1.957 1.00 0.00 H new ATOM 181 N ALA A 17 6.609 -3.272 -2.444 1.00 0.00 N ATOM 182 CA ALA A 17 5.246 -3.104 -2.002 1.00 0.00 C ATOM 183 C ALA A 17 4.818 -1.646 -2.124 1.00 0.00 C ATOM 184 O ALA A 17 3.785 -1.367 -2.718 1.00 0.00 O ATOM 185 CB ALA A 17 5.080 -3.656 -0.589 1.00 0.00 C ATOM 0 H ALA A 17 7.301 -2.805 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 17 4.581 -3.677 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.047 -3.524 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.330 -4.717 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.744 -3.122 0.091 1.00 0.00 H new ATOM 191 N ILE A 18 5.603 -0.716 -1.575 1.00 0.00 N ATOM 192 CA ILE A 18 5.289 0.703 -1.607 1.00 0.00 C ATOM 193 C ILE A 18 5.059 1.191 -3.019 1.00 0.00 C ATOM 194 O ILE A 18 4.023 1.793 -3.272 1.00 0.00 O ATOM 195 CB ILE A 18 6.423 1.514 -0.962 1.00 0.00 C ATOM 196 CG1 ILE A 18 6.119 1.557 0.528 1.00 0.00 C ATOM 197 CG2 ILE A 18 6.504 2.948 -1.508 1.00 0.00 C ATOM 198 CD1 ILE A 18 7.256 2.220 1.297 1.00 0.00 C ATOM 0 H ILE A 18 6.477 -0.933 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 18 4.368 0.847 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 18 7.382 1.045 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.192 2.104 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.964 0.545 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.322 3.478 -1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.682 2.919 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.566 3.466 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.014 2.238 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.176 1.656 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.392 3.240 0.938 1.00 0.00 H new ATOM 210 N GLU A 19 5.984 0.957 -3.946 1.00 0.00 N ATOM 211 CA GLU A 19 5.825 1.570 -5.253 1.00 0.00 C ATOM 212 C GLU A 19 4.729 0.882 -6.054 1.00 0.00 C ATOM 213 O GLU A 19 4.185 1.465 -6.986 1.00 0.00 O ATOM 214 CB GLU A 19 7.150 1.592 -5.992 1.00 0.00 C ATOM 215 CG GLU A 19 8.220 2.218 -5.109 1.00 0.00 C ATOM 216 CD GLU A 19 9.373 2.773 -5.949 1.00 0.00 C ATOM 217 OE1 GLU A 19 9.990 1.979 -6.692 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.629 3.994 -5.839 1.00 0.00 O ATOM 0 H GLU A 19 6.813 0.375 -3.824 1.00 0.00 H new ATOM 0 HA GLU A 19 5.509 2.604 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.440 0.578 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.052 2.159 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.782 3.019 -4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.601 1.473 -4.410 1.00 0.00 H new ATOM 225 N SER A 20 4.401 -0.358 -5.682 1.00 0.00 N ATOM 226 CA SER A 20 3.358 -1.114 -6.361 1.00 0.00 C ATOM 227 C SER A 20 2.016 -0.681 -5.795 1.00 0.00 C ATOM 228 O SER A 20 0.980 -0.722 -6.457 1.00 0.00 O ATOM 229 CB SER A 20 3.572 -2.604 -6.100 1.00 0.00 C ATOM 230 OG SER A 20 2.765 -3.374 -6.966 1.00 0.00 O ATOM 0 H SER A 20 4.847 -0.856 -4.912 1.00 0.00 H new ATOM 0 HA SER A 20 3.387 -0.932 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.621 -2.859 -6.247 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.330 -2.837 -5.063 1.00 0.00 H new ATOM 0 HG SER A 20 2.912 -4.327 -6.790 1.00 0.00 H new ATOM 236 N PHE A 21 2.062 -0.258 -4.532 1.00 0.00 N ATOM 237 CA PHE A 21 0.906 0.144 -3.777 1.00 0.00 C ATOM 238 C PHE A 21 0.574 1.593 -4.073 1.00 0.00 C ATOM 239 O PHE A 21 -0.480 1.899 -4.614 1.00 0.00 O ATOM 240 CB PHE A 21 1.229 -0.040 -2.304 1.00 0.00 C ATOM 241 CG PHE A 21 0.039 0.137 -1.413 1.00 0.00 C ATOM 242 CD1 PHE A 21 -0.783 -0.964 -1.163 1.00 0.00 C ATOM 243 CD2 PHE A 21 -0.239 1.384 -0.849 1.00 0.00 C ATOM 244 CE1 PHE A 21 -1.893 -0.821 -0.323 1.00 0.00 C ATOM 245 CE2 PHE A 21 -1.344 1.528 0.001 1.00 0.00 C ATOM 246 CZ PHE A 21 -2.168 0.424 0.265 1.00 0.00 C ATOM 0 H PHE A 21 2.932 -0.189 -4.005 1.00 0.00 H new ATOM 0 HA PHE A 21 0.040 -0.459 -4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.644 -1.036 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.000 0.674 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.563 -1.920 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.393 2.232 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.536 -1.666 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.560 2.486 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.017 0.532 0.923 1.00 0.00 H new ATOM 256 N THR A 22 1.497 2.479 -3.708 1.00 0.00 N ATOM 257 CA THR A 22 1.405 3.902 -3.954 1.00 0.00 C ATOM 258 C THR A 22 1.058 4.230 -5.410 1.00 0.00 C ATOM 259 O THR A 22 0.451 5.270 -5.658 1.00 0.00 O ATOM 260 CB THR A 22 2.752 4.483 -3.535 1.00 0.00 C ATOM 261 OG1 THR A 22 2.619 5.830 -3.159 1.00 0.00 O ATOM 262 CG2 THR A 22 3.781 4.366 -4.660 1.00 0.00 C ATOM 0 H THR A 22 2.351 2.212 -3.219 1.00 0.00 H new ATOM 0 HA THR A 22 0.589 4.342 -3.381 1.00 0.00 H new ATOM 0 HB THR A 22 3.103 3.905 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.892 6.242 -3.671 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.730 4.789 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.921 3.316 -4.917 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.426 4.910 -5.536 1.00 0.00 H new ATOM 270 N SER A 23 1.422 3.376 -6.380 1.00 0.00 N ATOM 271 CA SER A 23 1.026 3.571 -7.760 1.00 0.00 C ATOM 272 C SER A 23 -0.404 3.116 -8.007 1.00 0.00 C ATOM 273 O SER A 23 -1.146 3.765 -8.740 1.00 0.00 O ATOM 274 CB SER A 23 1.960 2.729 -8.611 1.00 0.00 C ATOM 275 OG SER A 23 1.776 1.350 -8.358 1.00 0.00 O ATOM 0 H SER A 23 1.992 2.545 -6.220 1.00 0.00 H new ATOM 0 HA SER A 23 1.082 4.631 -8.006 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.781 2.935 -9.666 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.994 3.005 -8.404 1.00 0.00 H new ATOM 0 HG SER A 23 2.522 1.014 -7.819 1.00 0.00 H new ATOM 281 N LEU A 24 -0.788 1.999 -7.391 1.00 0.00 N ATOM 282 CA LEU A 24 -2.115 1.415 -7.539 1.00 0.00 C ATOM 283 C LEU A 24 -3.161 2.150 -6.699 1.00 0.00 C ATOM 284 O LEU A 24 -4.356 2.026 -6.957 1.00 0.00 O ATOM 285 CB LEU A 24 -1.987 -0.051 -7.129 1.00 0.00 C ATOM 286 CG LEU A 24 -3.277 -0.863 -7.258 1.00 0.00 C ATOM 287 CD1 LEU A 24 -3.801 -0.860 -8.693 1.00 0.00 C ATOM 288 CD2 LEU A 24 -2.969 -2.298 -6.838 1.00 0.00 C ATOM 0 H LEU A 24 -0.177 1.470 -6.768 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.463 1.503 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.216 -0.520 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.646 -0.097 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.044 -0.418 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.718 -1.447 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.007 0.165 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.052 -1.296 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.872 -2.903 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.197 -2.710 -7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.618 -2.308 -5.806 1.00 0.00 H new ATOM 300 N THR A 25 -2.716 2.913 -5.699 1.00 0.00 N ATOM 301 CA THR A 25 -3.593 3.689 -4.836 1.00 0.00 C ATOM 302 C THR A 25 -3.416 5.174 -5.084 1.00 0.00 C ATOM 303 O THR A 25 -4.121 5.987 -4.488 1.00 0.00 O ATOM 304 CB THR A 25 -3.336 3.351 -3.370 1.00 0.00 C ATOM 305 OG1 THR A 25 -2.047 3.796 -3.009 1.00 0.00 O ATOM 306 CG2 THR A 25 -3.421 1.850 -3.135 1.00 0.00 C ATOM 0 H THR A 25 -1.727 3.007 -5.468 1.00 0.00 H new ATOM 0 HA THR A 25 -4.625 3.428 -5.073 1.00 0.00 H new ATOM 0 HB THR A 25 -4.095 3.846 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.373 3.264 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.234 1.635 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.415 1.495 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.675 1.343 -3.747 1.00 0.00 H new ATOM 314 N LYS A 26 -2.475 5.521 -5.972 1.00 0.00 N ATOM 315 CA LYS A 26 -2.360 6.872 -6.488 1.00 0.00 C ATOM 316 C LYS A 26 -2.013 7.876 -5.388 1.00 0.00 C ATOM 317 O LYS A 26 -2.088 9.085 -5.608 1.00 0.00 O ATOM 318 CB LYS A 26 -3.659 7.212 -7.239 1.00 0.00 C ATOM 319 CG LYS A 26 -4.186 6.028 -8.072 1.00 0.00 C ATOM 320 CD LYS A 26 -3.384 5.840 -9.360 1.00 0.00 C ATOM 321 CE LYS A 26 -3.666 4.449 -9.930 1.00 0.00 C ATOM 322 NZ LYS A 26 -2.953 4.245 -11.206 1.00 0.00 N ATOM 0 H LYS A 26 -1.782 4.872 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.528 6.936 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.421 7.515 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.483 8.064 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.139 5.116 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.235 6.194 -8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.656 6.606 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.319 5.955 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.358 3.689 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.738 4.326 -10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.161 3.294 -11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.266 4.957 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.929 4.340 -11.051 1.00 0.00 H new ATOM 336 N CYS A 27 -1.635 7.378 -4.206 1.00 0.00 N ATOM 337 CA CYS A 27 -1.292 8.216 -3.068 1.00 0.00 C ATOM 338 C CYS A 27 0.214 8.471 -2.990 1.00 0.00 C ATOM 339 O CYS A 27 0.969 8.082 -3.878 1.00 0.00 O ATOM 340 CB CYS A 27 -1.821 7.562 -1.789 1.00 0.00 C ATOM 341 SG CYS A 27 -0.847 6.088 -1.384 1.00 0.00 S ATOM 0 H CYS A 27 -1.560 6.378 -4.018 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.762 9.192 -3.189 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.777 8.273 -0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.868 7.289 -1.919 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.335 5.059 -2.012 1.00 0.00 H new ATOM 347 N ASP A 28 0.648 9.135 -1.915 1.00 0.00 N ATOM 348 CA ASP A 28 2.051 9.433 -1.679 1.00 0.00 C ATOM 349 C ASP A 28 2.777 8.225 -1.087 1.00 0.00 C ATOM 350 O ASP A 28 2.166 7.405 -0.400 1.00 0.00 O ATOM 351 CB ASP A 28 2.158 10.631 -0.737 1.00 0.00 C ATOM 352 CG ASP A 28 1.686 11.914 -1.414 1.00 0.00 C ATOM 353 OD1 ASP A 28 2.468 12.461 -2.223 1.00 0.00 O ATOM 354 OD2 ASP A 28 0.546 12.341 -1.118 1.00 0.00 O ATOM 0 H ASP A 28 0.027 9.480 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 28 2.526 9.672 -2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.561 10.448 0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.191 10.749 -0.411 1.00 0.00 H new ATOM 359 N PRO A 29 4.086 8.104 -1.347 1.00 0.00 N ATOM 360 CA PRO A 29 4.904 6.987 -0.900 1.00 0.00 C ATOM 361 C PRO A 29 5.123 7.000 0.612 1.00 0.00 C ATOM 362 O PRO A 29 5.760 6.096 1.150 1.00 0.00 O ATOM 363 CB PRO A 29 6.217 7.133 -1.667 1.00 0.00 C ATOM 364 CG PRO A 29 6.327 8.640 -1.891 1.00 0.00 C ATOM 365 CD PRO A 29 4.876 9.051 -2.113 1.00 0.00 C ATOM 0 HA PRO A 29 4.421 6.030 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.062 6.749 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.195 6.587 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.765 9.147 -1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.952 8.877 -2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.701 10.073 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.615 9.016 -3.171 1.00 0.00 H new ATOM 373 N LYS A 30 4.599 8.017 1.307 1.00 0.00 N ATOM 374 CA LYS A 30 4.645 8.097 2.758 1.00 0.00 C ATOM 375 C LYS A 30 3.299 7.716 3.372 1.00 0.00 C ATOM 376 O LYS A 30 3.197 7.589 4.589 1.00 0.00 O ATOM 377 CB LYS A 30 5.079 9.504 3.175 1.00 0.00 C ATOM 378 CG LYS A 30 4.072 10.572 2.742 1.00 0.00 C ATOM 379 CD LYS A 30 4.504 11.965 3.208 1.00 0.00 C ATOM 380 CE LYS A 30 5.845 12.359 2.588 1.00 0.00 C ATOM 381 NZ LYS A 30 6.248 13.715 3.004 1.00 0.00 N ATOM 0 H LYS A 30 4.130 8.809 0.868 1.00 0.00 H new ATOM 0 HA LYS A 30 5.377 7.382 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.200 9.539 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.052 9.727 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.974 10.564 1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.090 10.337 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.744 12.696 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.583 11.980 4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.610 11.642 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.773 12.316 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.161 13.955 2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.528 14.400 2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.340 13.748 4.039 1.00 0.00 H new ATOM 395 N VAL A 31 2.268 7.533 2.541 1.00 0.00 N ATOM 396 CA VAL A 31 0.956 7.097 3.001 1.00 0.00 C ATOM 397 C VAL A 31 0.791 5.617 2.682 1.00 0.00 C ATOM 398 O VAL A 31 0.179 4.882 3.454 1.00 0.00 O ATOM 399 CB VAL A 31 -0.150 7.935 2.350 1.00 0.00 C ATOM 400 CG1 VAL A 31 -1.514 7.572 2.940 1.00 0.00 C ATOM 401 CG2 VAL A 31 0.104 9.423 2.600 1.00 0.00 C ATOM 0 H VAL A 31 2.324 7.684 1.534 1.00 0.00 H new ATOM 0 HA VAL A 31 0.876 7.240 4.079 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.146 7.728 1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.288 8.176 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.718 6.516 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.509 7.764 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.687 10.010 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.114 9.615 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.066 9.705 2.172 1.00 0.00 H new ATOM 411 N SER A 32 1.345 5.172 1.549 1.00 0.00 N ATOM 412 CA SER A 32 1.394 3.758 1.214 1.00 0.00 C ATOM 413 C SER A 32 1.978 2.995 2.392 1.00 0.00 C ATOM 414 O SER A 32 1.461 1.977 2.844 1.00 0.00 O ATOM 415 CB SER A 32 2.318 3.599 0.005 1.00 0.00 C ATOM 416 OG SER A 32 3.621 4.049 0.305 1.00 0.00 O ATOM 0 H SER A 32 1.767 5.782 0.848 1.00 0.00 H new ATOM 0 HA SER A 32 0.398 3.375 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.351 2.552 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.920 4.162 -0.839 1.00 0.00 H new ATOM 0 HG SER A 32 3.587 4.987 0.585 1.00 0.00 H new ATOM 422 N ARG A 33 3.090 3.547 2.872 1.00 0.00 N ATOM 423 CA ARG A 33 3.923 3.099 3.960 1.00 0.00 C ATOM 424 C ARG A 33 3.133 2.911 5.243 1.00 0.00 C ATOM 425 O ARG A 33 3.206 1.844 5.845 1.00 0.00 O ATOM 426 CB ARG A 33 4.956 4.219 4.038 1.00 0.00 C ATOM 427 CG ARG A 33 6.053 3.951 5.055 1.00 0.00 C ATOM 428 CD ARG A 33 7.190 4.952 4.849 1.00 0.00 C ATOM 429 NE ARG A 33 8.368 4.590 5.645 1.00 0.00 N ATOM 430 CZ ARG A 33 9.407 3.896 5.171 1.00 0.00 C ATOM 431 NH1 ARG A 33 9.449 3.510 3.899 1.00 0.00 N ATOM 432 NH2 ARG A 33 10.419 3.578 5.974 1.00 0.00 N ATOM 0 H ARG A 33 3.457 4.405 2.460 1.00 0.00 H new ATOM 0 HA ARG A 33 4.372 2.117 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.407 4.358 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.453 5.152 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.656 4.038 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.426 2.933 4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.459 4.988 3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.853 5.951 5.127 1.00 0.00 H new ATOM 0 HE ARG A 33 8.396 4.886 6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.681 3.743 3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.249 2.981 3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.403 3.864 6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.211 3.048 5.611 1.00 0.00 H new ATOM 446 N LYS A 34 2.376 3.913 5.676 1.00 0.00 N ATOM 447 CA LYS A 34 1.649 3.805 6.932 1.00 0.00 C ATOM 448 C LYS A 34 0.457 2.843 6.839 1.00 0.00 C ATOM 449 O LYS A 34 -0.080 2.445 7.871 1.00 0.00 O ATOM 450 CB LYS A 34 1.189 5.192 7.385 1.00 0.00 C ATOM 451 CG LYS A 34 2.391 6.104 7.649 1.00 0.00 C ATOM 452 CD LYS A 34 1.941 7.488 8.118 1.00 0.00 C ATOM 453 CE LYS A 34 1.127 8.204 7.039 1.00 0.00 C ATOM 454 NZ LYS A 34 0.728 9.549 7.485 1.00 0.00 N ATOM 0 H LYS A 34 2.251 4.797 5.183 1.00 0.00 H new ATOM 0 HA LYS A 34 2.331 3.387 7.673 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.551 5.636 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.588 5.103 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.035 5.653 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.985 6.200 6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.342 7.390 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.814 8.088 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.716 8.280 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.240 7.618 6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.177 10.014 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.147 9.472 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.577 10.113 7.691 1.00 0.00 H new ATOM 468 N TYR A 35 0.043 2.463 5.626 1.00 0.00 N ATOM 469 CA TYR A 35 -0.973 1.437 5.412 1.00 0.00 C ATOM 470 C TYR A 35 -0.313 0.099 5.096 1.00 0.00 C ATOM 471 O TYR A 35 -1.002 -0.912 4.981 1.00 0.00 O ATOM 472 CB TYR A 35 -1.914 1.849 4.279 1.00 0.00 C ATOM 473 CG TYR A 35 -2.994 2.834 4.670 1.00 0.00 C ATOM 474 CD1 TYR A 35 -2.688 4.187 4.872 1.00 0.00 C ATOM 475 CD2 TYR A 35 -4.317 2.388 4.816 1.00 0.00 C ATOM 476 CE1 TYR A 35 -3.704 5.098 5.198 1.00 0.00 C ATOM 477 CE2 TYR A 35 -5.340 3.288 5.144 1.00 0.00 C ATOM 478 CZ TYR A 35 -5.034 4.652 5.336 1.00 0.00 C ATOM 479 OH TYR A 35 -6.015 5.538 5.652 1.00 0.00 O ATOM 0 H TYR A 35 0.408 2.864 4.762 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.558 1.329 6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.321 2.284 3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.388 0.954 3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.668 4.529 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.548 1.343 4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.467 6.142 5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.357 2.940 5.249 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.785 6.422 5.296 1.00 0.00 H new ATOM 489 N LEU A 36 1.015 0.080 4.955 1.00 0.00 N ATOM 490 CA LEU A 36 1.775 -1.145 4.796 1.00 0.00 C ATOM 491 C LEU A 36 2.258 -1.616 6.164 1.00 0.00 C ATOM 492 O LEU A 36 2.097 -2.783 6.500 1.00 0.00 O ATOM 493 CB LEU A 36 2.935 -0.900 3.823 1.00 0.00 C ATOM 494 CG LEU A 36 2.665 -1.484 2.431 1.00 0.00 C ATOM 495 CD1 LEU A 36 1.366 -0.988 1.800 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.803 -1.104 1.495 1.00 0.00 C ATOM 0 H LEU A 36 1.589 0.923 4.949 1.00 0.00 H new ATOM 0 HA LEU A 36 1.152 -1.934 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.112 0.172 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.845 -1.342 4.229 1.00 0.00 H new ATOM 0 HG LEU A 36 2.582 -2.562 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.242 -1.443 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.524 -1.263 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.403 0.096 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.613 -1.518 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.871 -0.018 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.741 -1.503 1.882 1.00 0.00 H new ATOM 508 N GLN A 37 2.843 -0.720 6.965 1.00 0.00 N ATOM 509 CA GLN A 37 3.315 -1.044 8.308 1.00 0.00 C ATOM 510 C GLN A 37 2.184 -1.627 9.158 1.00 0.00 C ATOM 511 O GLN A 37 2.423 -2.370 10.110 1.00 0.00 O ATOM 512 CB GLN A 37 3.820 0.229 8.952 1.00 0.00 C ATOM 513 CG GLN A 37 5.017 0.694 8.138 1.00 0.00 C ATOM 514 CD GLN A 37 5.658 1.925 8.736 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.519 2.218 9.920 1.00 0.00 O ATOM 516 NE2 GLN A 37 6.376 2.659 7.907 1.00 0.00 N ATOM 0 H GLN A 37 3.001 0.251 6.697 1.00 0.00 H new ATOM 0 HA GLN A 37 4.109 -1.787 8.241 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.041 0.991 8.962 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.105 0.050 9.989 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.753 -0.108 8.082 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.701 0.908 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.468 2.382 6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.839 3.503 8.244 1.00 0.00 H new ATOM 525 N ARG A 38 0.954 -1.273 8.788 1.00 0.00 N ATOM 526 CA ARG A 38 -0.300 -1.640 9.404 1.00 0.00 C ATOM 527 C ARG A 38 -0.609 -3.129 9.320 1.00 0.00 C ATOM 528 O ARG A 38 -1.415 -3.642 10.094 1.00 0.00 O ATOM 529 CB ARG A 38 -1.266 -0.850 8.543 1.00 0.00 C ATOM 530 CG ARG A 38 -2.685 -0.815 9.063 1.00 0.00 C ATOM 531 CD ARG A 38 -3.423 0.273 8.299 1.00 0.00 C ATOM 532 NE ARG A 38 -2.895 1.611 8.593 1.00 0.00 N ATOM 533 CZ ARG A 38 -3.613 2.730 8.487 1.00 0.00 C ATOM 534 NH1 ARG A 38 -4.873 2.694 8.067 1.00 0.00 N ATOM 535 NH2 ARG A 38 -3.063 3.898 8.806 1.00 0.00 N ATOM 0 H ARG A 38 0.808 -0.670 7.978 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.329 -1.434 10.474 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.900 0.173 8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.271 -1.276 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.170 -1.781 8.920 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.697 -0.608 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.345 0.080 7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.482 0.238 8.553 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.924 1.689 8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.303 1.803 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.410 3.558 7.991 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.097 3.935 9.130 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.608 4.757 8.727 1.00 0.00 H new ATOM 549 N ASN A 39 0.032 -3.813 8.375 1.00 0.00 N ATOM 550 CA ASN A 39 -0.205 -5.217 8.087 1.00 0.00 C ATOM 551 C ASN A 39 1.101 -5.902 7.689 1.00 0.00 C ATOM 552 O ASN A 39 1.096 -6.857 6.913 1.00 0.00 O ATOM 553 CB ASN A 39 -1.275 -5.325 7.002 1.00 0.00 C ATOM 554 CG ASN A 39 -1.094 -4.229 5.972 1.00 0.00 C ATOM 555 OD1 ASN A 39 -0.191 -4.297 5.143 1.00 0.00 O ATOM 556 ND2 ASN A 39 -1.956 -3.220 6.031 1.00 0.00 N ATOM 0 H ASN A 39 0.745 -3.394 7.778 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.570 -5.732 8.976 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.215 -6.300 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.266 -5.252 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.886 -2.450 5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.688 -3.215 6.742 1.00 0.00 H new ATOM 563 N HIS A 40 2.224 -5.408 8.226 1.00 0.00 N ATOM 564 CA HIS A 40 3.539 -5.998 8.003 1.00 0.00 C ATOM 565 C HIS A 40 3.938 -5.971 6.526 1.00 0.00 C ATOM 566 O HIS A 40 4.568 -6.903 6.026 1.00 0.00 O ATOM 567 CB HIS A 40 3.589 -7.416 8.574 1.00 0.00 C ATOM 568 CG HIS A 40 2.907 -7.566 9.906 1.00 0.00 C ATOM 569 ND1 HIS A 40 3.194 -6.834 11.062 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.901 -8.450 10.167 1.00 0.00 C ATOM 571 CE1 HIS A 40 2.341 -7.297 11.993 1.00 0.00 C ATOM 572 NE2 HIS A 40 1.555 -8.264 11.485 1.00 0.00 N ATOM 0 H HIS A 40 2.240 -4.585 8.828 1.00 0.00 H new ATOM 0 HA HIS A 40 4.272 -5.389 8.532 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.126 -8.099 7.862 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.631 -7.719 8.675 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.463 -9.155 9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.293 -6.941 13.011 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.828 -8.771 11.990 1.00 0.00 H new ATOM 580 N TRP A 41 3.561 -4.894 5.832 1.00 0.00 N ATOM 581 CA TRP A 41 3.854 -4.667 4.426 1.00 0.00 C ATOM 582 C TRP A 41 3.246 -5.747 3.537 1.00 0.00 C ATOM 583 O TRP A 41 3.886 -6.228 2.602 1.00 0.00 O ATOM 584 CB TRP A 41 5.352 -4.453 4.204 1.00 0.00 C ATOM 585 CG TRP A 41 5.947 -3.269 4.892 1.00 0.00 C ATOM 586 CD1 TRP A 41 5.878 -2.988 6.210 1.00 0.00 C ATOM 587 CD2 TRP A 41 6.709 -2.178 4.297 1.00 0.00 C ATOM 588 NE1 TRP A 41 6.574 -1.833 6.472 1.00 0.00 N ATOM 589 CE2 TRP A 41 7.089 -1.272 5.327 1.00 0.00 C ATOM 590 CE3 TRP A 41 7.099 -1.849 2.987 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.832 -0.112 5.075 1.00 0.00 C ATOM 592 CZ3 TRP A 41 7.796 -0.666 2.720 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.190 0.188 3.756 1.00 0.00 C ATOM 0 H TRP A 41 3.026 -4.135 6.253 1.00 0.00 H new ATOM 0 HA TRP A 41 3.369 -3.740 4.120 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.881 -5.346 4.536 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.531 -4.356 3.133 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.355 -3.581 6.946 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.694 -1.438 7.405 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.857 -2.519 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.124 0.540 5.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.034 -0.408 1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.768 1.074 3.539 1.00 0.00 H new ATOM 604 N ASN A 42 1.999 -6.129 3.827 1.00 0.00 N ATOM 605 CA ASN A 42 1.268 -7.088 3.024 1.00 0.00 C ATOM 606 C ASN A 42 0.418 -6.299 2.047 1.00 0.00 C ATOM 607 O ASN A 42 -0.518 -5.614 2.455 1.00 0.00 O ATOM 608 CB ASN A 42 0.383 -7.942 3.924 1.00 0.00 C ATOM 609 CG ASN A 42 -0.199 -9.109 3.144 1.00 0.00 C ATOM 610 OD1 ASN A 42 -1.010 -8.911 2.245 1.00 0.00 O ATOM 611 ND2 ASN A 42 0.208 -10.330 3.478 1.00 0.00 N ATOM 0 H ASN A 42 1.475 -5.776 4.628 1.00 0.00 H new ATOM 0 HA ASN A 42 1.948 -7.752 2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.964 -8.314 4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.423 -7.334 4.335 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.156 -11.143 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.884 -10.454 4.232 1.00 0.00 H new ATOM 618 N ILE A 43 0.727 -6.379 0.756 1.00 0.00 N ATOM 619 CA ILE A 43 0.077 -5.500 -0.196 1.00 0.00 C ATOM 620 C ILE A 43 -1.401 -5.855 -0.384 1.00 0.00 C ATOM 621 O ILE A 43 -2.163 -5.045 -0.905 1.00 0.00 O ATOM 622 CB ILE A 43 0.861 -5.522 -1.513 1.00 0.00 C ATOM 623 CG1 ILE A 43 0.668 -4.191 -2.238 1.00 0.00 C ATOM 624 CG2 ILE A 43 0.422 -6.701 -2.380 1.00 0.00 C ATOM 625 CD1 ILE A 43 1.520 -4.101 -3.503 1.00 0.00 C ATOM 0 H ILE A 43 1.406 -7.027 0.357 1.00 0.00 H new ATOM 0 HA ILE A 43 0.083 -4.482 0.193 1.00 0.00 H new ATOM 0 HB ILE A 43 1.923 -5.653 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.383 -4.069 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.927 -3.372 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.990 -6.700 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.604 -7.633 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.641 -6.612 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.352 -3.139 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.573 -4.196 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.243 -4.904 -4.186 1.00 0.00 H new ATOM 637 N ASN A 44 -1.831 -7.052 0.026 1.00 0.00 N ATOM 638 CA ASN A 44 -3.206 -7.479 -0.180 1.00 0.00 C ATOM 639 C ASN A 44 -4.047 -6.983 0.987 1.00 0.00 C ATOM 640 O ASN A 44 -5.157 -6.484 0.811 1.00 0.00 O ATOM 641 CB ASN A 44 -3.259 -9.005 -0.276 1.00 0.00 C ATOM 642 CG ASN A 44 -4.698 -9.488 -0.300 1.00 0.00 C ATOM 643 OD1 ASN A 44 -5.163 -10.134 0.636 1.00 0.00 O ATOM 644 ND2 ASN A 44 -5.421 -9.180 -1.370 1.00 0.00 N ATOM 0 H ASN A 44 -1.243 -7.737 0.501 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.599 -7.064 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.743 -9.336 -1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.735 -9.447 0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.393 -9.481 -1.432 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.004 -8.642 -2.130 1.00 0.00 H new ATOM 651 N TYR A 45 -3.494 -7.130 2.187 1.00 0.00 N ATOM 652 CA TYR A 45 -4.130 -6.682 3.409 1.00 0.00 C ATOM 653 C TYR A 45 -4.203 -5.160 3.419 1.00 0.00 C ATOM 654 O TYR A 45 -5.194 -4.575 3.851 1.00 0.00 O ATOM 655 CB TYR A 45 -3.266 -7.139 4.583 1.00 0.00 C ATOM 656 CG TYR A 45 -3.060 -8.631 4.748 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.715 -9.562 3.925 1.00 0.00 C ATOM 658 CD2 TYR A 45 -2.184 -9.083 5.746 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.476 -10.933 4.085 1.00 0.00 C ATOM 660 CE2 TYR A 45 -1.943 -10.450 5.918 1.00 0.00 C ATOM 661 CZ TYR A 45 -2.589 -11.384 5.085 1.00 0.00 C ATOM 662 OH TYR A 45 -2.357 -12.715 5.252 1.00 0.00 O ATOM 0 H TYR A 45 -2.584 -7.568 2.334 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.137 -7.093 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.287 -6.671 4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.712 -6.755 5.501 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.404 -9.220 3.167 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.691 -8.368 6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.971 -11.646 3.442 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.264 -10.788 6.687 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.719 -12.847 5.984 1.00 0.00 H new ATOM 672 N ALA A 46 -3.134 -4.527 2.933 1.00 0.00 N ATOM 673 CA ALA A 46 -3.037 -3.084 2.855 1.00 0.00 C ATOM 674 C ALA A 46 -4.008 -2.504 1.825 1.00 0.00 C ATOM 675 O ALA A 46 -4.488 -1.385 1.999 1.00 0.00 O ATOM 676 CB ALA A 46 -1.601 -2.738 2.483 1.00 0.00 C ATOM 0 H ALA A 46 -2.309 -5.013 2.582 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.306 -2.649 3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.493 -1.655 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.925 -3.123 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.356 -3.187 1.521 1.00 0.00 H new ATOM 682 N LEU A 47 -4.305 -3.254 0.756 1.00 0.00 N ATOM 683 CA LEU A 47 -5.228 -2.762 -0.261 1.00 0.00 C ATOM 684 C LEU A 47 -6.656 -2.821 0.263 1.00 0.00 C ATOM 685 O LEU A 47 -7.492 -2.021 -0.153 1.00 0.00 O ATOM 686 CB LEU A 47 -5.090 -3.581 -1.550 1.00 0.00 C ATOM 687 CG LEU A 47 -3.919 -3.101 -2.413 1.00 0.00 C ATOM 688 CD1 LEU A 47 -3.723 -4.086 -3.564 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.185 -1.717 -3.006 1.00 0.00 C ATOM 0 H LEU A 47 -3.926 -4.184 0.579 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.983 -1.725 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.948 -4.632 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.015 -3.513 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.033 -3.043 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.892 -3.756 -4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.506 -5.076 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.632 -4.129 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.332 -1.411 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.078 -1.754 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.334 -0.998 -2.200 1.00 0.00 H new ATOM 701 N ASN A 48 -6.949 -3.750 1.177 1.00 0.00 N ATOM 702 CA ASN A 48 -8.276 -3.813 1.769 1.00 0.00 C ATOM 703 C ASN A 48 -8.438 -2.713 2.816 1.00 0.00 C ATOM 704 O ASN A 48 -9.506 -2.118 2.922 1.00 0.00 O ATOM 705 CB ASN A 48 -8.499 -5.199 2.381 1.00 0.00 C ATOM 706 CG ASN A 48 -8.890 -6.220 1.323 1.00 0.00 C ATOM 707 OD1 ASN A 48 -10.073 -6.496 1.134 1.00 0.00 O ATOM 708 ND2 ASN A 48 -7.917 -6.794 0.621 1.00 0.00 N ATOM 0 H ASN A 48 -6.294 -4.455 1.515 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.028 -3.652 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.589 -5.526 2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.280 -5.142 3.139 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.144 -7.483 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.944 -6.545 0.800 1.00 0.00 H new ATOM 715 N ASP A 49 -7.390 -2.428 3.595 1.00 0.00 N ATOM 716 CA ASP A 49 -7.493 -1.435 4.652 1.00 0.00 C ATOM 717 C ASP A 49 -7.560 -0.023 4.072 1.00 0.00 C ATOM 718 O ASP A 49 -8.336 0.800 4.542 1.00 0.00 O ATOM 719 CB ASP A 49 -6.302 -1.581 5.595 1.00 0.00 C ATOM 720 CG ASP A 49 -6.481 -0.694 6.822 1.00 0.00 C ATOM 721 OD1 ASP A 49 -7.120 -1.170 7.788 1.00 0.00 O ATOM 722 OD2 ASP A 49 -5.981 0.450 6.787 1.00 0.00 O ATOM 0 H ASP A 49 -6.474 -2.868 3.510 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.415 -1.601 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.200 -2.622 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.383 -1.311 5.075 1.00 0.00 H new ATOM 727 N TYR A 50 -6.757 0.278 3.054 1.00 0.00 N ATOM 728 CA TYR A 50 -6.762 1.605 2.462 1.00 0.00 C ATOM 729 C TYR A 50 -8.068 1.880 1.726 1.00 0.00 C ATOM 730 O TYR A 50 -8.566 3.004 1.751 1.00 0.00 O ATOM 731 CB TYR A 50 -5.552 1.698 1.541 1.00 0.00 C ATOM 732 CG TYR A 50 -5.387 3.041 0.874 1.00 0.00 C ATOM 733 CD1 TYR A 50 -6.107 3.316 -0.293 1.00 0.00 C ATOM 734 CD2 TYR A 50 -4.525 4.009 1.414 1.00 0.00 C ATOM 735 CE1 TYR A 50 -5.995 4.563 -0.915 1.00 0.00 C ATOM 736 CE2 TYR A 50 -4.397 5.261 0.793 1.00 0.00 C ATOM 737 CZ TYR A 50 -5.144 5.545 -0.371 1.00 0.00 C ATOM 738 OH TYR A 50 -5.050 6.769 -0.965 1.00 0.00 O ATOM 0 H TYR A 50 -6.101 -0.376 2.628 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.695 2.370 3.236 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.653 1.477 2.117 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.634 0.930 0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.753 2.561 -0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.960 3.790 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.560 4.773 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.730 6.004 1.204 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.621 7.399 -0.349 1.00 0.00 H new ATOM 748 N TYR A 51 -8.636 0.865 1.069 1.00 0.00 N ATOM 749 CA TYR A 51 -9.939 0.995 0.440 1.00 0.00 C ATOM 750 C TYR A 51 -11.038 0.976 1.504 1.00 0.00 C ATOM 751 O TYR A 51 -12.197 1.242 1.194 1.00 0.00 O ATOM 752 CB TYR A 51 -10.143 -0.110 -0.599 1.00 0.00 C ATOM 753 CG TYR A 51 -9.207 -0.066 -1.795 1.00 0.00 C ATOM 754 CD1 TYR A 51 -8.503 1.103 -2.121 1.00 0.00 C ATOM 755 CD2 TYR A 51 -9.057 -1.215 -2.589 1.00 0.00 C ATOM 756 CE1 TYR A 51 -7.652 1.127 -3.234 1.00 0.00 C ATOM 757 CE2 TYR A 51 -8.203 -1.198 -3.702 1.00 0.00 C ATOM 758 CZ TYR A 51 -7.499 -0.022 -4.032 1.00 0.00 C ATOM 759 OH TYR A 51 -6.676 -0.002 -5.119 1.00 0.00 O ATOM 0 H TYR A 51 -8.207 -0.054 0.963 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.991 1.951 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.027 -1.075 -0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.170 -0.058 -0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.617 1.988 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.601 -2.115 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.112 2.029 -3.480 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.085 -2.086 -4.306 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.688 -0.880 -5.555 1.00 0.00 H new ATOM 769 N ASP A 52 -10.684 0.664 2.755 1.00 0.00 N ATOM 770 CA ASP A 52 -11.630 0.729 3.862 1.00 0.00 C ATOM 771 C ASP A 52 -11.601 2.107 4.529 1.00 0.00 C ATOM 772 O ASP A 52 -12.477 2.422 5.333 1.00 0.00 O ATOM 773 CB ASP A 52 -11.293 -0.368 4.873 1.00 0.00 C ATOM 774 CG ASP A 52 -12.297 -0.424 6.019 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.474 -0.749 5.740 1.00 0.00 O ATOM 776 OD2 ASP A 52 -11.872 -0.142 7.163 1.00 0.00 O ATOM 0 H ASP A 52 -9.746 0.364 3.022 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.638 0.572 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.269 -1.332 4.366 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.295 -0.195 5.275 1.00 0.00 H new ATOM 781 N LYS A 53 -10.597 2.928 4.198 1.00 0.00 N ATOM 782 CA LYS A 53 -10.403 4.231 4.820 1.00 0.00 C ATOM 783 C LYS A 53 -10.659 5.376 3.846 1.00 0.00 C ATOM 784 O LYS A 53 -11.247 6.384 4.230 1.00 0.00 O ATOM 785 CB LYS A 53 -8.962 4.313 5.335 1.00 0.00 C ATOM 786 CG LYS A 53 -8.881 4.259 6.864 1.00 0.00 C ATOM 787 CD LYS A 53 -9.532 3.027 7.496 1.00 0.00 C ATOM 788 CE LYS A 53 -8.606 1.824 7.368 1.00 0.00 C ATOM 789 NZ LYS A 53 -9.234 0.614 7.929 1.00 0.00 N ATOM 0 H LYS A 53 -9.899 2.702 3.490 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.118 4.332 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.382 3.491 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.506 5.238 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.832 4.291 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.355 5.152 7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.749 3.219 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.483 2.817 7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.361 1.658 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.668 2.025 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.584 -0.192 7.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.445 0.767 8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.117 0.412 7.417 1.00 0.00 H new ATOM 803 N GLU A 54 -10.223 5.228 2.594 1.00 0.00 N ATOM 804 CA GLU A 54 -10.263 6.293 1.615 1.00 0.00 C ATOM 805 C GLU A 54 -11.385 6.090 0.601 1.00 0.00 C ATOM 806 O GLU A 54 -12.056 7.048 0.221 1.00 0.00 O ATOM 807 CB GLU A 54 -8.902 6.288 0.928 1.00 0.00 C ATOM 808 CG GLU A 54 -7.785 6.560 1.933 1.00 0.00 C ATOM 809 CD GLU A 54 -7.826 8.003 2.437 1.00 0.00 C ATOM 810 OE1 GLU A 54 -7.466 8.902 1.644 1.00 0.00 O ATOM 811 OE2 GLU A 54 -8.215 8.199 3.611 1.00 0.00 O ATOM 0 H GLU A 54 -9.831 4.356 2.237 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.466 7.250 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.737 5.324 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.883 7.044 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.878 5.876 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.819 6.363 1.468 1.00 0.00 H new ATOM 818 N ILE A 55 -11.592 4.845 0.165 1.00 0.00 N ATOM 819 CA ILE A 55 -12.674 4.506 -0.749 1.00 0.00 C ATOM 820 C ILE A 55 -13.955 4.212 0.035 1.00 0.00 C ATOM 821 O ILE A 55 -15.042 4.150 -0.533 1.00 0.00 O ATOM 822 CB ILE A 55 -12.238 3.328 -1.630 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.925 3.639 -2.365 1.00 0.00 C ATOM 824 CG2 ILE A 55 -13.324 2.978 -2.645 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.019 4.858 -3.287 1.00 0.00 C ATOM 0 H ILE A 55 -11.014 4.050 0.437 1.00 0.00 H new ATOM 0 HA ILE A 55 -12.894 5.349 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 55 -12.076 2.473 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.137 3.808 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.632 2.769 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.992 2.140 -3.258 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -14.238 2.703 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -13.517 3.840 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.058 5.021 -3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.784 4.684 -4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.282 5.738 -2.701 1.00 0.00 H new ATOM 837 N GLY A 56 -13.824 4.032 1.353 1.00 0.00 N ATOM 838 CA GLY A 56 -14.937 3.707 2.240 1.00 0.00 C ATOM 839 C GLY A 56 -15.884 4.888 2.456 1.00 0.00 C ATOM 840 O GLY A 56 -16.903 4.749 3.131 1.00 0.00 O ATOM 0 H GLY A 56 -12.929 4.110 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.496 2.870 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.545 3.380 3.203 1.00 0.00 H new ATOM 844 N THR A 57 -15.551 6.050 1.886 1.00 0.00 N ATOM 845 CA THR A 57 -16.374 7.253 1.961 1.00 0.00 C ATOM 846 C THR A 57 -16.418 7.936 0.597 1.00 0.00 C ATOM 847 O THR A 57 -16.587 9.151 0.486 1.00 0.00 O ATOM 848 CB THR A 57 -15.873 8.167 3.086 1.00 0.00 C ATOM 849 OG1 THR A 57 -16.735 9.273 3.242 1.00 0.00 O ATOM 850 CG2 THR A 57 -14.453 8.661 2.815 1.00 0.00 C ATOM 0 H THR A 57 -14.691 6.179 1.354 1.00 0.00 H new ATOM 0 HA THR A 57 -17.402 6.992 2.213 1.00 0.00 H new ATOM 0 HB THR A 57 -15.864 7.580 4.005 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.985 9.620 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.130 9.306 3.632 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.779 7.808 2.738 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.435 9.222 1.881 1.00 0.00 H new ATOM 858 N PHE A 58 -16.259 7.128 -0.453 1.00 0.00 N ATOM 859 CA PHE A 58 -16.180 7.584 -1.829 1.00 0.00 C ATOM 860 C PHE A 58 -17.353 7.064 -2.654 1.00 0.00 C ATOM 861 O PHE A 58 -17.898 7.784 -3.489 1.00 0.00 O ATOM 862 CB PHE A 58 -14.866 7.046 -2.379 1.00 0.00 C ATOM 863 CG PHE A 58 -14.163 7.966 -3.338 1.00 0.00 C ATOM 864 CD1 PHE A 58 -14.693 8.200 -4.614 1.00 0.00 C ATOM 865 CD2 PHE A 58 -12.973 8.584 -2.938 1.00 0.00 C ATOM 866 CE1 PHE A 58 -14.024 9.062 -5.497 1.00 0.00 C ATOM 867 CE2 PHE A 58 -12.307 9.450 -3.818 1.00 0.00 C ATOM 868 CZ PHE A 58 -12.832 9.685 -5.097 1.00 0.00 C ATOM 0 H PHE A 58 -16.180 6.115 -0.360 1.00 0.00 H new ATOM 0 HA PHE A 58 -16.223 8.672 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -14.198 6.834 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -15.059 6.098 -2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.612 7.719 -4.917 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -12.568 8.395 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -14.426 9.245 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.392 9.935 -3.511 1.00 0.00 H new ATOM 0 HZ PHE A 58 -12.317 10.348 -5.777 1.00 0.00 H new ATOM 878 N THR A 59 -17.736 5.809 -2.411 1.00 0.00 N ATOM 879 CA THR A 59 -18.865 5.158 -3.046 1.00 0.00 C ATOM 880 C THR A 59 -19.838 4.663 -1.991 1.00 0.00 C ATOM 881 O THR A 59 -20.572 3.698 -2.203 1.00 0.00 O ATOM 882 CB THR A 59 -18.382 4.015 -3.933 1.00 0.00 C ATOM 883 OG1 THR A 59 -17.460 3.207 -3.233 1.00 0.00 O ATOM 884 CG2 THR A 59 -17.716 4.558 -5.194 1.00 0.00 C ATOM 0 H THR A 59 -17.250 5.207 -1.746 1.00 0.00 H new ATOM 0 HA THR A 59 -19.386 5.876 -3.679 1.00 0.00 H new ATOM 0 HB THR A 59 -19.249 3.417 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.159 2.476 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.378 3.727 -5.814 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.432 5.160 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.861 5.175 -4.917 1.00 0.00 H new ATOM 892 N ASP A 60 -19.840 5.335 -0.844 1.00 0.00 N ATOM 893 CA ASP A 60 -20.704 4.958 0.260 1.00 0.00 C ATOM 894 C ASP A 60 -22.167 5.200 -0.095 1.00 0.00 C ATOM 895 O ASP A 60 -22.614 6.339 -0.215 1.00 0.00 O ATOM 896 CB ASP A 60 -20.288 5.689 1.537 1.00 0.00 C ATOM 897 CG ASP A 60 -20.325 7.209 1.395 1.00 0.00 C ATOM 898 OD1 ASP A 60 -19.536 7.737 0.577 1.00 0.00 O ATOM 899 OD2 ASP A 60 -21.142 7.834 2.109 1.00 0.00 O ATOM 0 H ASP A 60 -19.249 6.146 -0.658 1.00 0.00 H new ATOM 0 HA ASP A 60 -20.594 3.890 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -20.948 5.390 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -19.280 5.380 1.814 1.00 0.00 H new ATOM 904 N GLU A 61 -22.897 4.095 -0.257 1.00 0.00 N ATOM 905 CA GLU A 61 -24.322 4.041 -0.548 1.00 0.00 C ATOM 906 C GLU A 61 -24.781 5.005 -1.646 1.00 0.00 C ATOM 907 O GLU A 61 -25.922 5.470 -1.642 1.00 0.00 O ATOM 908 CB GLU A 61 -25.122 4.127 0.749 1.00 0.00 C ATOM 909 CG GLU A 61 -25.079 5.485 1.424 1.00 0.00 C ATOM 910 CD GLU A 61 -26.024 5.532 2.621 1.00 0.00 C ATOM 911 OE1 GLU A 61 -25.588 5.125 3.724 1.00 0.00 O ATOM 912 OE2 GLU A 61 -27.179 5.977 2.430 1.00 0.00 O ATOM 0 H GLU A 61 -22.483 3.166 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 61 -24.531 3.069 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -26.161 3.872 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.745 3.377 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.062 5.700 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -25.355 6.260 0.708 1.00 0.00 H new ATOM 919 N VAL A 62 -23.884 5.307 -2.590 1.00 0.00 N ATOM 920 CA VAL A 62 -24.172 6.190 -3.715 1.00 0.00 C ATOM 921 C VAL A 62 -25.161 5.546 -4.685 1.00 0.00 C ATOM 922 O VAL A 62 -25.194 4.296 -4.750 1.00 0.00 O ATOM 923 CB VAL A 62 -22.879 6.596 -4.434 1.00 0.00 C ATOM 924 CG1 VAL A 62 -21.966 7.361 -3.480 1.00 0.00 C ATOM 925 CG2 VAL A 62 -22.129 5.380 -4.986 1.00 0.00 C ATOM 0 H VAL A 62 -22.932 4.941 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 62 -24.638 7.093 -3.321 1.00 0.00 H new ATOM 0 HB VAL A 62 -23.159 7.233 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -21.051 7.644 -4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.476 8.258 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -21.717 6.728 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -21.219 5.710 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -21.869 4.710 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -22.765 4.853 -5.697 1.00 0.00 H new TER 935 VAL A 62