USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 935 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 91 ASN : amide:sc= -0.0579 K(o=-0.058,f=-5.9!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.05) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= -0.04 (180deg=-0.279) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 33 THR OG1 : rot 74:sc= 0.513 USER MOD Single : A 34 THR OG1 : rot -35:sc= 0.0939 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 130:sc= -0.415 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 165:sc= -0.0237 (180deg=-0.211) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.0187 (180deg=-0.169) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.0388 K(o=0.039,f=-0.77) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -113:sc= -0.798 (180deg=-3.47!) USER MOD Single : A 67 MET CE :methyl 149:sc= -0.288 (180deg=-1.86!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 92 SER OG : rot -96:sc= 1.23 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 144:sc= 1.17 (180deg=0.561) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0726) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= -0.0219 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 12.134 1.027 9.184 1.00 0.00 N ATOM 51 CA GLY A 5 11.328 0.499 8.106 1.00 0.00 C ATOM 52 C GLY A 5 9.966 1.158 8.012 1.00 0.00 C ATOM 53 O GLY A 5 9.699 2.165 8.676 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.858 0.634 7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.198 -0.574 8.248 1.00 0.00 H new ATOM 57 N ILE A 6 9.103 0.598 7.184 1.00 0.00 N ATOM 58 CA ILE A 6 7.767 1.133 7.008 1.00 0.00 C ATOM 59 C ILE A 6 6.787 0.388 7.904 1.00 0.00 C ATOM 60 O ILE A 6 6.557 -0.810 7.735 1.00 0.00 O ATOM 61 CB ILE A 6 7.323 1.040 5.535 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.314 1.803 4.649 1.00 0.00 C ATOM 63 CG2 ILE A 6 5.912 1.590 5.360 1.00 0.00 C ATOM 64 CD1 ILE A 6 8.037 1.683 3.167 1.00 0.00 C ATOM 0 H ILE A 6 9.305 -0.229 6.622 1.00 0.00 H new ATOM 0 HA ILE A 6 7.779 2.186 7.290 1.00 0.00 H new ATOM 0 HB ILE A 6 7.313 -0.008 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.296 2.857 4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.321 1.437 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.619 1.514 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.218 1.014 5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.888 2.635 5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.782 2.251 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.085 0.635 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.044 2.077 2.949 1.00 0.00 H new ATOM 76 N ALA A 7 6.232 1.106 8.868 1.00 0.00 N ATOM 77 CA ALA A 7 5.334 0.517 9.851 1.00 0.00 C ATOM 78 C ALA A 7 3.887 0.592 9.385 1.00 0.00 C ATOM 79 O ALA A 7 3.362 1.678 9.119 1.00 0.00 O ATOM 80 CB ALA A 7 5.494 1.211 11.196 1.00 0.00 C ATOM 0 H ALA A 7 6.389 2.106 8.991 1.00 0.00 H new ATOM 0 HA ALA A 7 5.598 -0.534 9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.816 0.760 11.921 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.522 1.101 11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.259 2.270 11.089 1.00 0.00 H new ATOM 86 N PHE A 8 3.254 -0.567 9.282 1.00 0.00 N ATOM 87 CA PHE A 8 1.870 -0.652 8.849 1.00 0.00 C ATOM 88 C PHE A 8 0.920 -0.691 10.039 1.00 0.00 C ATOM 89 O PHE A 8 1.249 -1.219 11.104 1.00 0.00 O ATOM 90 CB PHE A 8 1.655 -1.893 7.979 1.00 0.00 C ATOM 91 CG PHE A 8 2.167 -1.748 6.576 1.00 0.00 C ATOM 92 CD1 PHE A 8 1.368 -1.191 5.590 1.00 0.00 C ATOM 93 CD2 PHE A 8 3.442 -2.169 6.239 1.00 0.00 C ATOM 94 CE1 PHE A 8 1.833 -1.053 4.295 1.00 0.00 C ATOM 95 CE2 PHE A 8 3.911 -2.033 4.947 1.00 0.00 C ATOM 96 CZ PHE A 8 3.107 -1.477 3.973 1.00 0.00 C ATOM 0 H PHE A 8 3.682 -1.468 9.495 1.00 0.00 H new ATOM 0 HA PHE A 8 1.654 0.241 8.262 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.148 -2.744 8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.590 -2.121 7.945 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.370 -0.861 5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.077 -2.608 6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.201 -0.614 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.909 -2.362 4.699 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.473 -1.374 2.962 1.00 0.00 H new ATOM 106 N ARG A 9 -0.254 -0.122 9.836 1.00 0.00 N ATOM 107 CA ARG A 9 -1.310 -0.111 10.833 1.00 0.00 C ATOM 108 C ARG A 9 -2.458 -0.963 10.306 1.00 0.00 C ATOM 109 O ARG A 9 -2.708 -0.975 9.096 1.00 0.00 O ATOM 110 CB ARG A 9 -1.806 1.326 11.070 1.00 0.00 C ATOM 111 CG ARG A 9 -0.729 2.390 10.895 1.00 0.00 C ATOM 112 CD ARG A 9 -1.315 3.799 10.919 1.00 0.00 C ATOM 113 NE ARG A 9 -0.402 4.786 10.330 1.00 0.00 N ATOM 114 CZ ARG A 9 -0.765 6.016 9.952 1.00 0.00 C ATOM 115 NH1 ARG A 9 -1.999 6.451 10.177 1.00 0.00 N ATOM 116 NH2 ARG A 9 0.114 6.817 9.356 1.00 0.00 N ATOM 0 H ARG A 9 -0.504 0.350 8.967 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.935 -0.506 11.777 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.624 1.535 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.212 1.397 12.079 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.012 2.291 11.688 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.209 2.229 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.259 3.808 10.374 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.538 4.081 11.948 1.00 0.00 H new ATOM 0 HE ARG A 9 0.573 4.516 10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.676 5.846 10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.270 7.390 9.886 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.066 6.493 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.164 7.755 9.068 1.00 0.00 H new ATOM 130 N GLU A 10 -3.154 -1.675 11.177 1.00 0.00 N ATOM 131 CA GLU A 10 -4.278 -2.481 10.728 1.00 0.00 C ATOM 132 C GLU A 10 -5.537 -2.146 11.519 1.00 0.00 C ATOM 133 O GLU A 10 -5.783 -2.694 12.599 1.00 0.00 O ATOM 134 CB GLU A 10 -3.969 -3.977 10.825 1.00 0.00 C ATOM 135 CG GLU A 10 -5.003 -4.847 10.123 1.00 0.00 C ATOM 136 CD GLU A 10 -4.770 -6.325 10.336 1.00 0.00 C ATOM 137 OE1 GLU A 10 -5.225 -6.856 11.371 1.00 0.00 O ATOM 138 OE2 GLU A 10 -4.128 -6.968 9.478 1.00 0.00 O ATOM 0 H GLU A 10 -2.967 -1.712 12.179 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.453 -2.242 9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.987 -4.168 10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.915 -4.263 11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.997 -4.585 10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.986 -4.632 9.055 1.00 0.00 H new ATOM 145 N LEU A 11 -6.322 -1.233 10.972 1.00 0.00 N ATOM 146 CA LEU A 11 -7.602 -0.861 11.537 1.00 0.00 C ATOM 147 C LEU A 11 -8.713 -1.264 10.581 1.00 0.00 C ATOM 148 O LEU A 11 -8.440 -1.641 9.441 1.00 0.00 O ATOM 149 CB LEU A 11 -7.648 0.646 11.786 1.00 0.00 C ATOM 150 CG LEU A 11 -6.712 1.159 12.883 1.00 0.00 C ATOM 151 CD1 LEU A 11 -6.835 2.666 13.027 1.00 0.00 C ATOM 152 CD2 LEU A 11 -7.018 0.478 14.206 1.00 0.00 C ATOM 0 H LEU A 11 -6.085 -0.728 10.118 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.739 -1.376 12.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.405 1.158 10.855 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.670 0.923 12.045 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.688 0.920 12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.162 3.013 13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.570 3.144 12.084 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.861 2.924 13.289 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.343 0.855 14.974 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.048 0.688 14.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.883 -0.598 14.101 1.00 0.00 H new ATOM 164 N SER A 12 -9.951 -1.217 11.052 1.00 0.00 N ATOM 165 CA SER A 12 -11.105 -1.494 10.208 1.00 0.00 C ATOM 166 C SER A 12 -11.140 -0.540 9.009 1.00 0.00 C ATOM 167 O SER A 12 -10.610 0.573 9.071 1.00 0.00 O ATOM 168 CB SER A 12 -12.394 -1.364 11.022 1.00 0.00 C ATOM 169 OG SER A 12 -12.330 -2.133 12.213 1.00 0.00 O ATOM 0 H SER A 12 -10.183 -0.989 12.019 1.00 0.00 H new ATOM 0 HA SER A 12 -11.022 -2.514 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.565 -0.317 11.271 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.242 -1.691 10.420 1.00 0.00 H new ATOM 0 HG SER A 12 -13.166 -2.030 12.714 1.00 0.00 H new ATOM 175 N PHE A 13 -11.771 -0.982 7.927 1.00 0.00 N ATOM 176 CA PHE A 13 -11.817 -0.215 6.681 1.00 0.00 C ATOM 177 C PHE A 13 -12.343 1.216 6.894 1.00 0.00 C ATOM 178 O PHE A 13 -11.667 2.178 6.517 1.00 0.00 O ATOM 179 CB PHE A 13 -12.658 -0.955 5.633 1.00 0.00 C ATOM 180 CG PHE A 13 -12.666 -0.295 4.282 1.00 0.00 C ATOM 181 CD1 PHE A 13 -11.539 -0.327 3.474 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.798 0.359 3.819 1.00 0.00 C ATOM 183 CE1 PHE A 13 -11.542 0.280 2.233 1.00 0.00 C ATOM 184 CE2 PHE A 13 -13.805 0.968 2.578 1.00 0.00 C ATOM 185 CZ PHE A 13 -12.676 0.927 1.786 1.00 0.00 C ATOM 0 H PHE A 13 -12.263 -1.875 7.885 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.794 -0.124 6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -12.278 -1.971 5.528 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.683 -1.034 5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.649 -0.832 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.684 0.393 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.658 0.248 1.613 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -14.693 1.475 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.680 1.401 0.816 1.00 0.00 H new ATOM 195 N PRO A 14 -13.544 1.398 7.496 1.00 0.00 N ATOM 196 CA PRO A 14 -14.088 2.738 7.757 1.00 0.00 C ATOM 197 C PRO A 14 -13.207 3.541 8.711 1.00 0.00 C ATOM 198 O PRO A 14 -13.101 4.761 8.597 1.00 0.00 O ATOM 199 CB PRO A 14 -15.455 2.466 8.391 1.00 0.00 C ATOM 200 CG PRO A 14 -15.369 1.073 8.909 1.00 0.00 C ATOM 201 CD PRO A 14 -14.466 0.343 7.960 1.00 0.00 C ATOM 0 HA PRO A 14 -14.146 3.334 6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.666 3.173 9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.257 2.566 7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.968 1.056 9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.354 0.608 8.948 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.933 -0.469 8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.022 -0.098 7.133 1.00 0.00 H new ATOM 209 N GLU A 15 -12.570 2.841 9.642 1.00 0.00 N ATOM 210 CA GLU A 15 -11.677 3.467 10.602 1.00 0.00 C ATOM 211 C GLU A 15 -10.495 4.105 9.898 1.00 0.00 C ATOM 212 O GLU A 15 -10.168 5.268 10.137 1.00 0.00 O ATOM 213 CB GLU A 15 -11.164 2.433 11.599 1.00 0.00 C ATOM 214 CG GLU A 15 -12.231 1.895 12.536 1.00 0.00 C ATOM 215 CD GLU A 15 -12.799 2.963 13.445 1.00 0.00 C ATOM 216 OE1 GLU A 15 -13.682 3.721 12.999 1.00 0.00 O ATOM 217 OE2 GLU A 15 -12.372 3.038 14.616 1.00 0.00 O ATOM 0 H GLU A 15 -12.659 1.831 9.750 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.238 4.238 11.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.725 1.601 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.366 2.880 12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.038 1.456 11.949 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.807 1.095 13.142 1.00 0.00 H new ATOM 224 N ALA A 16 -9.866 3.334 9.024 1.00 0.00 N ATOM 225 CA ALA A 16 -8.674 3.779 8.331 1.00 0.00 C ATOM 226 C ALA A 16 -8.957 5.016 7.481 1.00 0.00 C ATOM 227 O ALA A 16 -8.169 5.958 7.468 1.00 0.00 O ATOM 228 CB ALA A 16 -8.114 2.658 7.470 1.00 0.00 C ATOM 0 H ALA A 16 -10.167 2.391 8.779 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.931 4.052 9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.219 3.007 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.861 1.806 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.860 2.356 6.735 1.00 0.00 H new ATOM 234 N LEU A 17 -10.095 5.011 6.785 1.00 0.00 N ATOM 235 CA LEU A 17 -10.482 6.134 5.931 1.00 0.00 C ATOM 236 C LEU A 17 -10.717 7.394 6.757 1.00 0.00 C ATOM 237 O LEU A 17 -10.231 8.474 6.416 1.00 0.00 O ATOM 238 CB LEU A 17 -11.748 5.794 5.133 1.00 0.00 C ATOM 239 CG LEU A 17 -11.583 4.700 4.081 1.00 0.00 C ATOM 240 CD1 LEU A 17 -12.922 4.390 3.431 1.00 0.00 C ATOM 241 CD2 LEU A 17 -10.565 5.121 3.031 1.00 0.00 C ATOM 0 H LEU A 17 -10.765 4.242 6.796 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.663 6.321 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.527 5.488 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.100 6.700 4.639 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.217 3.798 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.791 3.608 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.625 4.050 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.311 5.289 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.459 4.330 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.903 6.035 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.602 5.301 3.509 1.00 0.00 H new ATOM 253 N LYS A 18 -11.455 7.240 7.847 1.00 0.00 N ATOM 254 CA LYS A 18 -11.763 8.332 8.740 1.00 0.00 C ATOM 255 C LYS A 18 -10.485 8.912 9.347 1.00 0.00 C ATOM 256 O LYS A 18 -10.285 10.129 9.361 1.00 0.00 O ATOM 257 CB LYS A 18 -12.690 7.794 9.818 1.00 0.00 C ATOM 258 CG LYS A 18 -13.058 8.782 10.896 1.00 0.00 C ATOM 259 CD LYS A 18 -14.097 8.184 11.823 1.00 0.00 C ATOM 260 CE LYS A 18 -13.637 6.854 12.399 1.00 0.00 C ATOM 261 NZ LYS A 18 -14.710 6.177 13.172 1.00 0.00 N ATOM 0 H LYS A 18 -11.856 6.347 8.132 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.250 9.143 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.605 7.439 9.344 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.217 6.930 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.170 9.059 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.445 9.696 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.304 8.881 12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.031 8.042 11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.309 6.203 11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.774 7.018 13.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.387 5.231 13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.935 6.738 14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.560 6.087 12.580 1.00 0.00 H new ATOM 275 N ARG A 19 -9.612 8.028 9.818 1.00 0.00 N ATOM 276 CA ARG A 19 -8.342 8.437 10.399 1.00 0.00 C ATOM 277 C ARG A 19 -7.456 9.117 9.359 1.00 0.00 C ATOM 278 O ARG A 19 -6.791 10.112 9.657 1.00 0.00 O ATOM 279 CB ARG A 19 -7.624 7.229 11.004 1.00 0.00 C ATOM 280 CG ARG A 19 -8.211 6.768 12.329 1.00 0.00 C ATOM 281 CD ARG A 19 -8.017 7.816 13.412 1.00 0.00 C ATOM 282 NE ARG A 19 -8.607 7.414 14.685 1.00 0.00 N ATOM 283 CZ ARG A 19 -8.335 7.999 15.850 1.00 0.00 C ATOM 284 NH1 ARG A 19 -7.426 8.965 15.916 1.00 0.00 N ATOM 285 NH2 ARG A 19 -8.955 7.595 16.952 1.00 0.00 N ATOM 0 H ARG A 19 -9.763 7.019 9.808 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.546 9.158 11.190 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.660 6.403 10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.573 7.478 11.150 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.274 6.561 12.206 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.738 5.835 12.634 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.951 7.999 13.550 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.463 8.756 13.088 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.268 6.637 14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.934 9.261 15.073 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.220 9.411 16.810 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.638 6.838 16.905 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.749 8.041 17.846 1.00 0.00 H new ATOM 299 N ALA A 20 -7.459 8.580 8.143 1.00 0.00 N ATOM 300 CA ALA A 20 -6.705 9.158 7.035 1.00 0.00 C ATOM 301 C ALA A 20 -7.118 10.600 6.798 1.00 0.00 C ATOM 302 O ALA A 20 -6.281 11.486 6.707 1.00 0.00 O ATOM 303 CB ALA A 20 -6.915 8.345 5.766 1.00 0.00 C ATOM 0 H ALA A 20 -7.980 7.738 7.898 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.648 9.136 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.346 8.790 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.576 7.322 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.974 8.340 5.508 1.00 0.00 H new ATOM 309 N GLU A 21 -8.418 10.823 6.732 1.00 0.00 N ATOM 310 CA GLU A 21 -8.959 12.145 6.449 1.00 0.00 C ATOM 311 C GLU A 21 -8.542 13.161 7.513 1.00 0.00 C ATOM 312 O GLU A 21 -8.241 14.316 7.204 1.00 0.00 O ATOM 313 CB GLU A 21 -10.482 12.065 6.380 1.00 0.00 C ATOM 314 CG GLU A 21 -11.139 13.299 5.782 1.00 0.00 C ATOM 315 CD GLU A 21 -10.766 13.509 4.329 1.00 0.00 C ATOM 316 OE1 GLU A 21 -11.292 12.778 3.464 1.00 0.00 O ATOM 317 OE2 GLU A 21 -9.964 14.421 4.038 1.00 0.00 O ATOM 0 H GLU A 21 -9.125 10.101 6.871 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.559 12.480 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.764 11.193 5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.873 11.908 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.222 13.207 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.848 14.177 6.359 1.00 0.00 H new ATOM 324 N VAL A 22 -8.515 12.727 8.764 1.00 0.00 N ATOM 325 CA VAL A 22 -8.269 13.645 9.869 1.00 0.00 C ATOM 326 C VAL A 22 -6.779 13.885 10.125 1.00 0.00 C ATOM 327 O VAL A 22 -6.317 15.028 10.079 1.00 0.00 O ATOM 328 CB VAL A 22 -8.927 13.135 11.171 1.00 0.00 C ATOM 329 CG1 VAL A 22 -8.649 14.078 12.335 1.00 0.00 C ATOM 330 CG2 VAL A 22 -10.424 12.961 10.974 1.00 0.00 C ATOM 0 H VAL A 22 -8.659 11.755 9.039 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.716 14.593 9.572 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.490 12.166 11.413 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.125 13.693 13.237 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.573 14.151 12.495 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.050 15.066 12.107 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.873 12.601 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.869 13.918 10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.605 12.238 10.178 1.00 0.00 H new ATOM 340 N GLU A 23 -6.023 12.824 10.381 1.00 0.00 N ATOM 341 CA GLU A 23 -4.658 12.984 10.856 1.00 0.00 C ATOM 342 C GLU A 23 -3.606 12.592 9.820 1.00 0.00 C ATOM 343 O GLU A 23 -2.409 12.674 10.096 1.00 0.00 O ATOM 344 CB GLU A 23 -4.466 12.188 12.141 1.00 0.00 C ATOM 345 CG GLU A 23 -4.847 10.725 12.026 1.00 0.00 C ATOM 346 CD GLU A 23 -4.756 10.006 13.351 1.00 0.00 C ATOM 347 OE1 GLU A 23 -5.762 9.983 14.085 1.00 0.00 O ATOM 348 OE2 GLU A 23 -3.678 9.467 13.672 1.00 0.00 O ATOM 0 H GLU A 23 -6.328 11.857 10.269 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.510 14.046 11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.422 12.257 12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.060 12.646 12.932 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.863 10.645 11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.193 10.237 11.304 1.00 0.00 H new ATOM 355 N ASP A 24 -4.038 12.171 8.641 1.00 0.00 N ATOM 356 CA ASP A 24 -3.111 11.820 7.565 1.00 0.00 C ATOM 357 C ASP A 24 -3.618 12.404 6.252 1.00 0.00 C ATOM 358 O ASP A 24 -4.253 13.461 6.254 1.00 0.00 O ATOM 359 CB ASP A 24 -2.937 10.296 7.464 1.00 0.00 C ATOM 360 CG ASP A 24 -2.147 9.708 8.622 1.00 0.00 C ATOM 361 OD1 ASP A 24 -0.933 9.979 8.723 1.00 0.00 O ATOM 362 OD2 ASP A 24 -2.730 8.958 9.431 1.00 0.00 O ATOM 0 H ASP A 24 -5.023 12.063 8.401 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.131 12.243 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.920 9.826 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.432 10.055 6.528 1.00 0.00 H new ATOM 367 N LYS A 25 -3.338 11.745 5.133 1.00 0.00 N ATOM 368 CA LYS A 25 -3.803 12.228 3.841 1.00 0.00 C ATOM 369 C LYS A 25 -4.516 11.135 3.054 1.00 0.00 C ATOM 370 O LYS A 25 -5.747 11.093 3.011 1.00 0.00 O ATOM 371 CB LYS A 25 -2.636 12.791 3.034 1.00 0.00 C ATOM 372 CG LYS A 25 -2.132 14.119 3.574 1.00 0.00 C ATOM 373 CD LYS A 25 -0.951 14.646 2.783 1.00 0.00 C ATOM 374 CE LYS A 25 -0.523 16.016 3.285 1.00 0.00 C ATOM 375 NZ LYS A 25 -0.196 15.999 4.737 1.00 0.00 N ATOM 0 H LYS A 25 -2.796 10.882 5.095 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.524 13.024 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.819 12.070 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.946 12.920 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.940 14.850 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.844 13.999 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.116 13.949 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.215 14.708 1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.347 16.354 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.321 16.735 3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.280 16.886 4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.072 15.902 5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.433 15.196 4.942 1.00 0.00 H new ATOM 389 N LEU A 26 -3.748 10.252 2.437 1.00 0.00 N ATOM 390 CA LEU A 26 -4.321 9.203 1.607 1.00 0.00 C ATOM 391 C LEU A 26 -4.114 7.836 2.239 1.00 0.00 C ATOM 392 O LEU A 26 -3.236 7.656 3.085 1.00 0.00 O ATOM 393 CB LEU A 26 -3.709 9.232 0.205 1.00 0.00 C ATOM 394 CG LEU A 26 -3.944 10.525 -0.579 1.00 0.00 C ATOM 395 CD1 LEU A 26 -3.270 10.449 -1.940 1.00 0.00 C ATOM 396 CD2 LEU A 26 -5.435 10.795 -0.736 1.00 0.00 C ATOM 0 H LEU A 26 -2.730 10.240 2.494 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.392 9.387 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.635 9.067 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.114 8.399 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.504 11.351 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.446 11.376 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.198 10.304 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.682 9.612 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.580 11.719 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.900 9.968 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.893 10.892 0.248 1.00 0.00 H new ATOM 408 N LEU A 27 -4.928 6.880 1.822 1.00 0.00 N ATOM 409 CA LEU A 27 -4.846 5.528 2.342 1.00 0.00 C ATOM 410 C LEU A 27 -4.001 4.658 1.420 1.00 0.00 C ATOM 411 O LEU A 27 -4.214 4.640 0.204 1.00 0.00 O ATOM 412 CB LEU A 27 -6.250 4.925 2.494 1.00 0.00 C ATOM 413 CG LEU A 27 -6.293 3.505 3.065 1.00 0.00 C ATOM 414 CD1 LEU A 27 -5.765 3.483 4.492 1.00 0.00 C ATOM 415 CD2 LEU A 27 -7.709 2.952 3.007 1.00 0.00 C ATOM 0 H LEU A 27 -5.656 7.018 1.121 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.373 5.564 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.840 5.576 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.734 4.921 1.517 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.650 2.870 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.804 2.465 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.734 3.836 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.378 4.132 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.722 1.942 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.373 3.589 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.048 2.928 1.971 1.00 0.00 H new ATOM 427 N PHE A 28 -3.040 3.954 1.996 1.00 0.00 N ATOM 428 CA PHE A 28 -2.204 3.034 1.244 1.00 0.00 C ATOM 429 C PHE A 28 -2.421 1.616 1.748 1.00 0.00 C ATOM 430 O PHE A 28 -2.000 1.273 2.851 1.00 0.00 O ATOM 431 CB PHE A 28 -0.725 3.418 1.368 1.00 0.00 C ATOM 432 CG PHE A 28 0.200 2.492 0.629 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.414 2.649 -0.729 1.00 0.00 C ATOM 434 CD2 PHE A 28 0.852 1.464 1.293 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.260 1.801 -1.413 1.00 0.00 C ATOM 436 CE2 PHE A 28 1.698 0.611 0.615 1.00 0.00 C ATOM 437 CZ PHE A 28 1.903 0.779 -0.741 1.00 0.00 C ATOM 0 H PHE A 28 -2.819 4.004 2.991 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.483 3.089 0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.588 4.432 0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.448 3.430 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.087 3.445 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.696 1.330 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.420 1.936 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.199 -0.187 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.565 0.113 -1.275 1.00 0.00 H new ATOM 447 N VAL A 29 -3.091 0.801 0.953 1.00 0.00 N ATOM 448 CA VAL A 29 -3.378 -0.567 1.347 1.00 0.00 C ATOM 449 C VAL A 29 -2.386 -1.530 0.708 1.00 0.00 C ATOM 450 O VAL A 29 -2.259 -1.589 -0.518 1.00 0.00 O ATOM 451 CB VAL A 29 -4.817 -0.984 0.964 1.00 0.00 C ATOM 452 CG1 VAL A 29 -5.120 -2.395 1.444 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.828 -0.002 1.530 1.00 0.00 C ATOM 0 H VAL A 29 -3.446 1.062 0.033 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.284 -0.613 2.432 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.893 -0.971 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.138 -2.664 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.420 -3.093 0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.020 -2.440 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.834 -0.313 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.745 0.020 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.631 0.993 1.131 1.00 0.00 H new ATOM 463 N ASP A 30 -1.673 -2.258 1.551 1.00 0.00 N ATOM 464 CA ASP A 30 -0.745 -3.280 1.099 1.00 0.00 C ATOM 465 C ASP A 30 -1.463 -4.616 1.003 1.00 0.00 C ATOM 466 O ASP A 30 -1.786 -5.237 2.020 1.00 0.00 O ATOM 467 CB ASP A 30 0.450 -3.389 2.056 1.00 0.00 C ATOM 468 CG ASP A 30 1.461 -4.445 1.631 1.00 0.00 C ATOM 469 OD1 ASP A 30 1.980 -4.359 0.498 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.765 -5.352 2.443 1.00 0.00 O ATOM 0 H ASP A 30 -1.721 -2.157 2.565 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.369 -3.002 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.948 -2.421 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.087 -3.624 3.056 1.00 0.00 H new ATOM 475 N CYS A 31 -1.753 -5.027 -0.222 1.00 0.00 N ATOM 476 CA CYS A 31 -2.400 -6.304 -0.463 1.00 0.00 C ATOM 477 C CYS A 31 -1.428 -7.273 -1.110 1.00 0.00 C ATOM 478 O CYS A 31 -0.996 -7.077 -2.245 1.00 0.00 O ATOM 479 CB CYS A 31 -3.633 -6.135 -1.353 1.00 0.00 C ATOM 480 SG CYS A 31 -4.971 -5.195 -0.586 1.00 0.00 S ATOM 0 H CYS A 31 -1.549 -4.492 -1.066 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.720 -6.705 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.336 -5.637 -2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.007 -7.121 -1.628 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.968 -5.104 -1.415 1.00 0.00 H new ATOM 486 N PHE A 32 -1.079 -8.309 -0.378 1.00 0.00 N ATOM 487 CA PHE A 32 -0.178 -9.324 -0.885 1.00 0.00 C ATOM 488 C PHE A 32 -0.820 -10.692 -0.733 1.00 0.00 C ATOM 489 O PHE A 32 -1.758 -10.859 0.050 1.00 0.00 O ATOM 490 CB PHE A 32 1.163 -9.276 -0.139 1.00 0.00 C ATOM 491 CG PHE A 32 1.077 -9.702 1.302 1.00 0.00 C ATOM 492 CD1 PHE A 32 0.533 -8.863 2.263 1.00 0.00 C ATOM 493 CD2 PHE A 32 1.536 -10.949 1.692 1.00 0.00 C ATOM 494 CE1 PHE A 32 0.449 -9.262 3.583 1.00 0.00 C ATOM 495 CE2 PHE A 32 1.454 -11.353 3.010 1.00 0.00 C ATOM 496 CZ PHE A 32 0.909 -10.511 3.956 1.00 0.00 C ATOM 0 H PHE A 32 -1.407 -8.472 0.574 1.00 0.00 H new ATOM 0 HA PHE A 32 0.015 -9.133 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.877 -9.918 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.556 -8.260 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.171 -7.887 1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.963 -11.614 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.025 -8.599 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.817 -12.328 3.300 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.842 -10.827 4.987 1.00 0.00 H new ATOM 506 N THR A 33 -0.326 -11.662 -1.477 1.00 0.00 N ATOM 507 CA THR A 33 -0.833 -13.016 -1.377 1.00 0.00 C ATOM 508 C THR A 33 0.124 -13.851 -0.525 1.00 0.00 C ATOM 509 O THR A 33 1.259 -13.437 -0.286 1.00 0.00 O ATOM 510 CB THR A 33 -0.994 -13.650 -2.776 1.00 0.00 C ATOM 511 OG1 THR A 33 -1.485 -12.669 -3.701 1.00 0.00 O ATOM 512 CG2 THR A 33 -1.966 -14.821 -2.737 1.00 0.00 C ATOM 0 H THR A 33 0.425 -11.538 -2.156 1.00 0.00 H new ATOM 0 HA THR A 33 -1.816 -12.991 -0.906 1.00 0.00 H new ATOM 0 HB THR A 33 -0.017 -14.012 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.768 -12.038 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.061 -15.249 -3.735 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.593 -15.581 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.942 -14.473 -2.397 1.00 0.00 H new ATOM 520 N THR A 34 -0.329 -15.008 -0.059 1.00 0.00 N ATOM 521 CA THR A 34 0.472 -15.844 0.830 1.00 0.00 C ATOM 522 C THR A 34 1.736 -16.373 0.134 1.00 0.00 C ATOM 523 O THR A 34 2.654 -16.873 0.790 1.00 0.00 O ATOM 524 CB THR A 34 -0.364 -17.023 1.381 1.00 0.00 C ATOM 525 OG1 THR A 34 0.395 -17.781 2.334 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.829 -17.934 0.256 1.00 0.00 C ATOM 0 H THR A 34 -1.248 -15.390 -0.282 1.00 0.00 H new ATOM 0 HA THR A 34 0.787 -15.214 1.662 1.00 0.00 H new ATOM 0 HB THR A 34 -1.240 -16.604 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.337 -17.795 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.414 -18.755 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.444 -17.366 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.038 -18.336 -0.269 1.00 0.00 H new ATOM 534 N TRP A 35 1.788 -16.247 -1.189 1.00 0.00 N ATOM 535 CA TRP A 35 2.961 -16.662 -1.950 1.00 0.00 C ATOM 536 C TRP A 35 4.177 -15.826 -1.549 1.00 0.00 C ATOM 537 O TRP A 35 4.052 -14.637 -1.242 1.00 0.00 O ATOM 538 CB TRP A 35 2.708 -16.524 -3.453 1.00 0.00 C ATOM 539 CG TRP A 35 1.487 -17.256 -3.930 1.00 0.00 C ATOM 540 CD1 TRP A 35 0.308 -16.698 -4.326 1.00 0.00 C ATOM 541 CD2 TRP A 35 1.326 -18.673 -4.065 1.00 0.00 C ATOM 542 NE1 TRP A 35 -0.578 -17.678 -4.696 1.00 0.00 N ATOM 543 CE2 TRP A 35 0.024 -18.899 -4.547 1.00 0.00 C ATOM 544 CE3 TRP A 35 2.154 -19.774 -3.829 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -0.468 -20.177 -4.795 1.00 0.00 C ATOM 546 CZ3 TRP A 35 1.663 -21.043 -4.072 1.00 0.00 C ATOM 547 CH2 TRP A 35 0.363 -21.235 -4.554 1.00 0.00 C ATOM 0 H TRP A 35 1.032 -15.861 -1.755 1.00 0.00 H new ATOM 0 HA TRP A 35 3.159 -17.710 -1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.606 -15.467 -3.700 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.578 -16.896 -3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.101 -15.638 -4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.530 -17.523 -5.028 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.161 -19.636 -3.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.471 -20.327 -5.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.293 -21.901 -3.887 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.010 -22.239 -4.739 1.00 0.00 H new ATOM 558 N CYS A 36 5.343 -16.449 -1.550 1.00 0.00 N ATOM 559 CA CYS A 36 6.567 -15.791 -1.117 1.00 0.00 C ATOM 560 C CYS A 36 7.295 -15.161 -2.304 1.00 0.00 C ATOM 561 O CYS A 36 6.902 -15.355 -3.457 1.00 0.00 O ATOM 562 CB CYS A 36 7.476 -16.804 -0.417 1.00 0.00 C ATOM 563 SG CYS A 36 6.677 -17.695 0.942 1.00 0.00 S ATOM 0 H CYS A 36 5.469 -17.416 -1.848 1.00 0.00 H new ATOM 0 HA CYS A 36 6.307 -14.996 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.832 -17.526 -1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.353 -16.284 -0.031 1.00 0.00 H new ATOM 0 HG CYS A 36 7.522 -18.530 1.470 1.00 0.00 H new ATOM 569 N GLY A 37 8.343 -14.398 -2.021 1.00 0.00 N ATOM 570 CA GLY A 37 9.140 -13.821 -3.085 1.00 0.00 C ATOM 571 C GLY A 37 9.261 -12.310 -3.003 1.00 0.00 C ATOM 572 O GLY A 37 9.879 -11.782 -2.074 1.00 0.00 O ATOM 0 H GLY A 37 8.654 -14.169 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.138 -14.259 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.699 -14.090 -4.045 1.00 0.00 H new ATOM 576 N PRO A 38 8.656 -11.593 -3.968 1.00 0.00 N ATOM 577 CA PRO A 38 8.822 -10.141 -4.132 1.00 0.00 C ATOM 578 C PRO A 38 8.578 -9.341 -2.855 1.00 0.00 C ATOM 579 O PRO A 38 9.335 -8.421 -2.544 1.00 0.00 O ATOM 580 CB PRO A 38 7.779 -9.763 -5.195 1.00 0.00 C ATOM 581 CG PRO A 38 6.903 -10.960 -5.348 1.00 0.00 C ATOM 582 CD PRO A 38 7.750 -12.143 -4.984 1.00 0.00 C ATOM 0 HA PRO A 38 9.850 -9.906 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.201 -8.893 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.259 -9.506 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.031 -10.890 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.533 -11.045 -6.370 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.151 -12.964 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.295 -12.531 -5.845 1.00 0.00 H new ATOM 590 N CYS A 39 7.537 -9.700 -2.114 1.00 0.00 N ATOM 591 CA CYS A 39 7.131 -8.936 -0.940 1.00 0.00 C ATOM 592 C CYS A 39 8.217 -8.926 0.137 1.00 0.00 C ATOM 593 O CYS A 39 8.339 -7.959 0.890 1.00 0.00 O ATOM 594 CB CYS A 39 5.821 -9.493 -0.381 1.00 0.00 C ATOM 595 SG CYS A 39 4.459 -9.471 -1.573 1.00 0.00 S ATOM 0 H CYS A 39 6.957 -10.517 -2.305 1.00 0.00 H new ATOM 0 HA CYS A 39 6.976 -7.903 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.984 -10.518 -0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.534 -8.914 0.497 1.00 0.00 H new ATOM 0 HG CYS A 39 3.897 -10.643 -1.612 1.00 0.00 H new ATOM 601 N LYS A 40 9.017 -9.985 0.202 1.00 0.00 N ATOM 602 CA LYS A 40 10.094 -10.050 1.183 1.00 0.00 C ATOM 603 C LYS A 40 11.291 -9.233 0.710 1.00 0.00 C ATOM 604 O LYS A 40 11.985 -8.608 1.513 1.00 0.00 O ATOM 605 CB LYS A 40 10.512 -11.497 1.455 1.00 0.00 C ATOM 606 CG LYS A 40 11.537 -11.628 2.575 1.00 0.00 C ATOM 607 CD LYS A 40 11.022 -11.016 3.870 1.00 0.00 C ATOM 608 CE LYS A 40 12.104 -10.951 4.939 1.00 0.00 C ATOM 609 NZ LYS A 40 12.556 -12.299 5.372 1.00 0.00 N ATOM 0 H LYS A 40 8.942 -10.801 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 40 9.723 -9.627 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.628 -12.081 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.925 -11.926 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.771 -12.680 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.464 -11.136 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.647 -10.012 3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.182 -11.604 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.957 -10.391 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.725 -10.403 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.292 -12.201 6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.750 -12.826 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.943 -12.814 4.556 1.00 0.00 H new ATOM 623 N ARG A 41 11.525 -9.238 -0.598 1.00 0.00 N ATOM 624 CA ARG A 41 12.605 -8.459 -1.178 1.00 0.00 C ATOM 625 C ARG A 41 12.363 -6.972 -0.953 1.00 0.00 C ATOM 626 O ARG A 41 13.296 -6.209 -0.703 1.00 0.00 O ATOM 627 CB ARG A 41 12.737 -8.752 -2.672 1.00 0.00 C ATOM 628 CG ARG A 41 13.137 -10.181 -2.991 1.00 0.00 C ATOM 629 CD ARG A 41 13.507 -10.332 -4.458 1.00 0.00 C ATOM 630 NE ARG A 41 12.364 -10.132 -5.349 1.00 0.00 N ATOM 631 CZ ARG A 41 12.163 -9.024 -6.070 1.00 0.00 C ATOM 632 NH1 ARG A 41 13.035 -8.020 -6.008 1.00 0.00 N ATOM 633 NH2 ARG A 41 11.107 -8.931 -6.870 1.00 0.00 N ATOM 0 H ARG A 41 10.980 -9.774 -1.274 1.00 0.00 H new ATOM 0 HA ARG A 41 13.536 -8.742 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.786 -8.535 -3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.476 -8.075 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.982 -10.473 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.315 -10.855 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.288 -9.614 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.923 -11.326 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 41 11.679 -10.884 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.858 -8.095 -5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.880 -7.175 -6.559 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.447 -9.706 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.956 -8.085 -7.419 1.00 0.00 H new ATOM 647 N LEU A 42 11.096 -6.577 -1.024 1.00 0.00 N ATOM 648 CA LEU A 42 10.698 -5.200 -0.763 1.00 0.00 C ATOM 649 C LEU A 42 11.173 -4.762 0.616 1.00 0.00 C ATOM 650 O LEU A 42 11.740 -3.681 0.773 1.00 0.00 O ATOM 651 CB LEU A 42 9.176 -5.058 -0.851 1.00 0.00 C ATOM 652 CG LEU A 42 8.562 -5.397 -2.209 1.00 0.00 C ATOM 653 CD1 LEU A 42 7.046 -5.284 -2.148 1.00 0.00 C ATOM 654 CD2 LEU A 42 9.119 -4.482 -3.287 1.00 0.00 C ATOM 0 H LEU A 42 10.322 -7.198 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 42 11.159 -4.563 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.724 -5.702 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.909 -4.032 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 42 8.823 -6.425 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.623 -5.528 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.659 -5.977 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.768 -4.266 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.671 -4.737 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.885 -3.446 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.200 -4.606 -3.346 1.00 0.00 H new ATOM 666 N SER A 43 10.959 -5.624 1.604 1.00 0.00 N ATOM 667 CA SER A 43 11.327 -5.335 2.983 1.00 0.00 C ATOM 668 C SER A 43 12.824 -5.041 3.117 1.00 0.00 C ATOM 669 O SER A 43 13.243 -4.280 3.989 1.00 0.00 O ATOM 670 CB SER A 43 10.931 -6.512 3.875 1.00 0.00 C ATOM 671 OG SER A 43 9.567 -6.850 3.678 1.00 0.00 O ATOM 0 H SER A 43 10.527 -6.539 1.471 1.00 0.00 H new ATOM 0 HA SER A 43 10.791 -4.441 3.301 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.561 -7.373 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.101 -6.256 4.921 1.00 0.00 H new ATOM 0 HG SER A 43 9.331 -7.606 4.255 1.00 0.00 H new ATOM 677 N LYS A 44 13.626 -5.640 2.246 1.00 0.00 N ATOM 678 CA LYS A 44 15.072 -5.476 2.306 1.00 0.00 C ATOM 679 C LYS A 44 15.545 -4.239 1.550 1.00 0.00 C ATOM 680 O LYS A 44 16.622 -3.713 1.834 1.00 0.00 O ATOM 681 CB LYS A 44 15.777 -6.718 1.755 1.00 0.00 C ATOM 682 CG LYS A 44 15.671 -7.928 2.666 1.00 0.00 C ATOM 683 CD LYS A 44 16.304 -7.659 4.023 1.00 0.00 C ATOM 684 CE LYS A 44 16.301 -8.902 4.898 1.00 0.00 C ATOM 685 NZ LYS A 44 17.155 -9.983 4.338 1.00 0.00 N ATOM 0 H LYS A 44 13.300 -6.243 1.491 1.00 0.00 H new ATOM 0 HA LYS A 44 15.332 -5.344 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.351 -6.967 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.830 -6.487 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.622 -8.195 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.160 -8.782 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.328 -7.313 3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.762 -6.858 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.653 -8.643 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.279 -9.267 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.330 -10.701 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.672 -10.423 3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.061 -9.581 4.023 1.00 0.00 H new ATOM 699 N VAL A 45 14.762 -3.771 0.582 1.00 0.00 N ATOM 700 CA VAL A 45 15.208 -2.655 -0.246 1.00 0.00 C ATOM 701 C VAL A 45 14.443 -1.359 0.043 1.00 0.00 C ATOM 702 O VAL A 45 15.048 -0.346 0.389 1.00 0.00 O ATOM 703 CB VAL A 45 15.077 -2.990 -1.750 1.00 0.00 C ATOM 704 CG1 VAL A 45 15.625 -1.856 -2.609 1.00 0.00 C ATOM 705 CG2 VAL A 45 15.789 -4.296 -2.069 1.00 0.00 C ATOM 0 H VAL A 45 13.837 -4.136 0.355 1.00 0.00 H new ATOM 0 HA VAL A 45 16.256 -2.495 0.009 1.00 0.00 H new ATOM 0 HB VAL A 45 14.018 -3.108 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 45 15.522 -2.115 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.068 -0.942 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 45 16.678 -1.699 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 45 15.687 -4.516 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.846 -4.205 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.346 -5.104 -1.487 1.00 0.00 H new ATOM 715 N VAL A 46 13.120 -1.391 -0.071 1.00 0.00 N ATOM 716 CA VAL A 46 12.327 -0.173 0.092 1.00 0.00 C ATOM 717 C VAL A 46 12.020 0.099 1.563 1.00 0.00 C ATOM 718 O VAL A 46 11.994 1.248 2.001 1.00 0.00 O ATOM 719 CB VAL A 46 11.024 -0.199 -0.752 1.00 0.00 C ATOM 720 CG1 VAL A 46 10.100 -1.330 -0.339 1.00 0.00 C ATOM 721 CG2 VAL A 46 10.303 1.138 -0.671 1.00 0.00 C ATOM 0 H VAL A 46 12.578 -2.232 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 46 12.936 0.648 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 46 11.314 -0.378 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.202 -1.310 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.610 -2.284 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.824 -1.210 0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.393 1.097 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.046 1.350 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.953 1.926 -1.052 1.00 0.00 H new ATOM 731 N PHE A 47 11.840 -0.966 2.334 1.00 0.00 N ATOM 732 CA PHE A 47 11.555 -0.842 3.765 1.00 0.00 C ATOM 733 C PHE A 47 12.838 -0.603 4.557 1.00 0.00 C ATOM 734 O PHE A 47 12.858 -0.750 5.776 1.00 0.00 O ATOM 735 CB PHE A 47 10.862 -2.102 4.297 1.00 0.00 C ATOM 736 CG PHE A 47 9.450 -2.293 3.812 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.194 -2.769 2.538 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.382 -2.010 4.642 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.899 -2.957 2.099 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.084 -2.193 4.207 1.00 0.00 C ATOM 741 CZ PHE A 47 6.842 -2.668 2.934 1.00 0.00 C ATOM 0 H PHE A 47 11.886 -1.927 1.996 1.00 0.00 H new ATOM 0 HA PHE A 47 10.890 0.013 3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.451 -2.973 4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.856 -2.065 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.018 -2.996 1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.564 -1.642 5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.715 -3.330 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.258 -1.964 4.864 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.827 -2.813 2.594 1.00 0.00 H new ATOM 751 N LYS A 48 13.900 -0.225 3.863 1.00 0.00 N ATOM 752 CA LYS A 48 15.193 -0.036 4.503 1.00 0.00 C ATOM 753 C LYS A 48 15.538 1.444 4.635 1.00 0.00 C ATOM 754 O LYS A 48 16.158 1.864 5.618 1.00 0.00 O ATOM 755 CB LYS A 48 16.279 -0.762 3.708 1.00 0.00 C ATOM 756 CG LYS A 48 17.657 -0.671 4.340 1.00 0.00 C ATOM 757 CD LYS A 48 18.688 -1.476 3.565 1.00 0.00 C ATOM 758 CE LYS A 48 18.906 -0.937 2.157 1.00 0.00 C ATOM 759 NZ LYS A 48 19.401 0.465 2.162 1.00 0.00 N ATOM 0 H LYS A 48 13.893 -0.043 2.859 1.00 0.00 H new ATOM 0 HA LYS A 48 15.138 -0.456 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.003 -1.812 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.321 -0.345 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.969 0.373 4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.610 -1.033 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.634 -1.466 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.365 -2.515 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.622 -1.571 1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.970 -0.988 1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.711 0.727 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.637 1.102 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.202 0.548 2.820 1.00 0.00 H new ATOM 773 N ASP A 49 15.127 2.238 3.658 1.00 0.00 N ATOM 774 CA ASP A 49 15.483 3.651 3.634 1.00 0.00 C ATOM 775 C ASP A 49 14.655 4.447 4.635 1.00 0.00 C ATOM 776 O ASP A 49 13.425 4.422 4.599 1.00 0.00 O ATOM 777 CB ASP A 49 15.319 4.236 2.234 1.00 0.00 C ATOM 778 CG ASP A 49 15.754 5.685 2.176 1.00 0.00 C ATOM 779 OD1 ASP A 49 16.971 5.951 2.287 1.00 0.00 O ATOM 780 OD2 ASP A 49 14.886 6.565 2.025 1.00 0.00 O ATOM 0 H ASP A 49 14.550 1.932 2.875 1.00 0.00 H new ATOM 0 HA ASP A 49 16.532 3.726 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 49 15.905 3.652 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.276 4.157 1.927 1.00 0.00 H new ATOM 785 N SER A 50 15.346 5.155 5.517 1.00 0.00 N ATOM 786 CA SER A 50 14.709 5.904 6.591 1.00 0.00 C ATOM 787 C SER A 50 13.899 7.085 6.052 1.00 0.00 C ATOM 788 O SER A 50 12.888 7.471 6.643 1.00 0.00 O ATOM 789 CB SER A 50 15.777 6.388 7.573 1.00 0.00 C ATOM 790 OG SER A 50 16.626 5.315 7.956 1.00 0.00 O ATOM 0 H SER A 50 16.363 5.226 5.508 1.00 0.00 H new ATOM 0 HA SER A 50 14.011 5.244 7.106 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.368 7.181 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.301 6.815 8.456 1.00 0.00 H new ATOM 0 HG SER A 50 17.304 5.642 8.583 1.00 0.00 H new ATOM 796 N LEU A 51 14.338 7.647 4.932 1.00 0.00 N ATOM 797 CA LEU A 51 13.629 8.763 4.314 1.00 0.00 C ATOM 798 C LEU A 51 12.303 8.287 3.741 1.00 0.00 C ATOM 799 O LEU A 51 11.250 8.861 4.027 1.00 0.00 O ATOM 800 CB LEU A 51 14.468 9.396 3.203 1.00 0.00 C ATOM 801 CG LEU A 51 13.827 10.605 2.518 1.00 0.00 C ATOM 802 CD1 LEU A 51 13.771 11.792 3.465 1.00 0.00 C ATOM 803 CD2 LEU A 51 14.582 10.960 1.248 1.00 0.00 C ATOM 0 H LEU A 51 15.178 7.351 4.434 1.00 0.00 H new ATOM 0 HA LEU A 51 13.445 9.514 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.427 9.701 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.676 8.638 2.448 1.00 0.00 H new ATOM 0 HG LEU A 51 12.805 10.344 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.312 12.641 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.179 11.530 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.782 12.058 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.112 11.822 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 51 15.616 11.200 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.560 10.113 0.563 1.00 0.00 H new ATOM 815 N VAL A 52 12.362 7.236 2.932 1.00 0.00 N ATOM 816 CA VAL A 52 11.167 6.652 2.342 1.00 0.00 C ATOM 817 C VAL A 52 10.234 6.134 3.432 1.00 0.00 C ATOM 818 O VAL A 52 9.017 6.336 3.372 1.00 0.00 O ATOM 819 CB VAL A 52 11.520 5.507 1.363 1.00 0.00 C ATOM 820 CG1 VAL A 52 10.267 4.818 0.849 1.00 0.00 C ATOM 821 CG2 VAL A 52 12.340 6.041 0.199 1.00 0.00 C ATOM 0 H VAL A 52 13.230 6.770 2.669 1.00 0.00 H new ATOM 0 HA VAL A 52 10.661 7.436 1.779 1.00 0.00 H new ATOM 0 HB VAL A 52 12.113 4.771 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.547 4.018 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.712 4.399 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.642 5.542 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.581 5.224 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.766 6.799 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.262 6.483 0.576 1.00 0.00 H new ATOM 831 N ALA A 53 10.819 5.488 4.435 1.00 0.00 N ATOM 832 CA ALA A 53 10.062 4.971 5.570 1.00 0.00 C ATOM 833 C ALA A 53 9.253 6.076 6.239 1.00 0.00 C ATOM 834 O ALA A 53 8.087 5.881 6.577 1.00 0.00 O ATOM 835 CB ALA A 53 10.993 4.317 6.579 1.00 0.00 C ATOM 0 H ALA A 53 11.822 5.309 4.485 1.00 0.00 H new ATOM 0 HA ALA A 53 9.367 4.220 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.411 3.937 7.419 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.524 3.492 6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.713 5.052 6.940 1.00 0.00 H new ATOM 841 N ASP A 54 9.877 7.234 6.418 1.00 0.00 N ATOM 842 CA ASP A 54 9.218 8.388 7.027 1.00 0.00 C ATOM 843 C ASP A 54 8.197 8.999 6.073 1.00 0.00 C ATOM 844 O ASP A 54 7.078 9.329 6.472 1.00 0.00 O ATOM 845 CB ASP A 54 10.261 9.439 7.413 1.00 0.00 C ATOM 846 CG ASP A 54 9.647 10.700 7.994 1.00 0.00 C ATOM 847 OD1 ASP A 54 9.298 11.611 7.212 1.00 0.00 O ATOM 848 OD2 ASP A 54 9.543 10.795 9.236 1.00 0.00 O ATOM 0 H ASP A 54 10.846 7.401 6.148 1.00 0.00 H new ATOM 0 HA ASP A 54 8.694 8.051 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.950 9.009 8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.848 9.700 6.533 1.00 0.00 H new ATOM 853 N TYR A 55 8.589 9.121 4.807 1.00 0.00 N ATOM 854 CA TYR A 55 7.759 9.756 3.786 1.00 0.00 C ATOM 855 C TYR A 55 6.381 9.103 3.706 1.00 0.00 C ATOM 856 O TYR A 55 5.360 9.788 3.716 1.00 0.00 O ATOM 857 CB TYR A 55 8.462 9.692 2.424 1.00 0.00 C ATOM 858 CG TYR A 55 7.754 10.452 1.320 1.00 0.00 C ATOM 859 CD1 TYR A 55 7.704 11.841 1.325 1.00 0.00 C ATOM 860 CD2 TYR A 55 7.143 9.781 0.266 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.066 12.537 0.316 1.00 0.00 C ATOM 862 CE2 TYR A 55 6.504 10.470 -0.744 1.00 0.00 C ATOM 863 CZ TYR A 55 6.467 11.848 -0.715 1.00 0.00 C ATOM 864 OH TYR A 55 5.831 12.536 -1.721 1.00 0.00 O ATOM 0 H TYR A 55 9.487 8.784 4.461 1.00 0.00 H new ATOM 0 HA TYR A 55 7.616 10.800 4.065 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.472 10.087 2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.558 8.648 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.172 12.386 2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.169 8.702 0.238 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.037 13.616 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.035 9.932 -1.554 1.00 0.00 H new ATOM 0 HH TYR A 55 5.463 11.901 -2.370 1.00 0.00 H new ATOM 874 N PHE A 56 6.355 7.780 3.638 1.00 0.00 N ATOM 875 CA PHE A 56 5.098 7.055 3.563 1.00 0.00 C ATOM 876 C PHE A 56 4.428 6.956 4.931 1.00 0.00 C ATOM 877 O PHE A 56 3.207 6.935 5.022 1.00 0.00 O ATOM 878 CB PHE A 56 5.320 5.664 2.970 1.00 0.00 C ATOM 879 CG PHE A 56 5.532 5.686 1.484 1.00 0.00 C ATOM 880 CD1 PHE A 56 6.795 5.880 0.950 1.00 0.00 C ATOM 881 CD2 PHE A 56 4.462 5.516 0.618 1.00 0.00 C ATOM 882 CE1 PHE A 56 6.988 5.906 -0.419 1.00 0.00 C ATOM 883 CE2 PHE A 56 4.649 5.540 -0.751 1.00 0.00 C ATOM 884 CZ PHE A 56 5.914 5.736 -1.270 1.00 0.00 C ATOM 0 H PHE A 56 7.187 7.190 3.633 1.00 0.00 H new ATOM 0 HA PHE A 56 4.429 7.612 2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.186 5.205 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.459 5.036 3.199 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.639 6.013 1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.471 5.363 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.978 6.059 -0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.807 5.406 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.063 5.756 -2.340 1.00 0.00 H new ATOM 894 N ASN A 57 5.237 6.918 5.986 1.00 0.00 N ATOM 895 CA ASN A 57 4.722 6.810 7.354 1.00 0.00 C ATOM 896 C ASN A 57 3.837 8.003 7.703 1.00 0.00 C ATOM 897 O ASN A 57 2.766 7.848 8.290 1.00 0.00 O ATOM 898 CB ASN A 57 5.880 6.745 8.357 1.00 0.00 C ATOM 899 CG ASN A 57 5.434 6.413 9.772 1.00 0.00 C ATOM 900 OD1 ASN A 57 5.008 7.287 10.528 1.00 0.00 O ATOM 901 ND2 ASN A 57 5.575 5.155 10.156 1.00 0.00 N ATOM 0 H ASN A 57 6.254 6.960 5.923 1.00 0.00 H new ATOM 0 HA ASN A 57 4.130 5.896 7.411 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.597 5.995 8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.400 7.703 8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.327 4.881 11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.931 4.459 9.501 1.00 0.00 H new ATOM 908 N ARG A 58 4.313 9.195 7.367 1.00 0.00 N ATOM 909 CA ARG A 58 3.619 10.424 7.732 1.00 0.00 C ATOM 910 C ARG A 58 2.619 10.884 6.671 1.00 0.00 C ATOM 911 O ARG A 58 1.577 11.445 6.999 1.00 0.00 O ATOM 912 CB ARG A 58 4.629 11.542 8.010 1.00 0.00 C ATOM 913 CG ARG A 58 5.620 11.216 9.110 1.00 0.00 C ATOM 914 CD ARG A 58 4.924 10.717 10.358 1.00 0.00 C ATOM 915 NE ARG A 58 3.999 11.704 10.918 1.00 0.00 N ATOM 916 CZ ARG A 58 2.724 11.441 11.223 1.00 0.00 C ATOM 917 NH1 ARG A 58 2.214 10.238 10.979 1.00 0.00 N ATOM 918 NH2 ARG A 58 1.962 12.384 11.760 1.00 0.00 N ATOM 0 H ARG A 58 5.176 9.337 6.843 1.00 0.00 H new ATOM 0 HA ARG A 58 3.050 10.202 8.635 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.177 11.759 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.087 12.449 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.321 10.460 8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.204 12.105 9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.377 9.803 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.672 10.458 11.108 1.00 0.00 H new ATOM 0 HE ARG A 58 4.348 12.648 11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.796 9.513 10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.241 10.040 11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.348 13.311 11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.989 12.183 11.992 1.00 0.00 H new ATOM 932 N HIS A 59 2.931 10.673 5.400 1.00 0.00 N ATOM 933 CA HIS A 59 2.107 11.235 4.326 1.00 0.00 C ATOM 934 C HIS A 59 0.957 10.316 3.933 1.00 0.00 C ATOM 935 O HIS A 59 -0.011 10.760 3.312 1.00 0.00 O ATOM 936 CB HIS A 59 2.958 11.569 3.097 1.00 0.00 C ATOM 937 CG HIS A 59 3.870 12.743 3.295 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.696 13.947 2.649 1.00 0.00 N ATOM 939 CD2 HIS A 59 4.971 12.892 4.068 1.00 0.00 C ATOM 940 CE1 HIS A 59 4.649 14.782 3.014 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.436 14.169 3.875 1.00 0.00 N ATOM 0 H HIS A 59 3.733 10.127 5.085 1.00 0.00 H new ATOM 0 HA HIS A 59 1.673 12.155 4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.556 10.697 2.832 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.298 11.771 2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.404 12.145 4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.765 15.798 2.666 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.256 14.577 4.324 1.00 0.00 H new ATOM 950 N PHE A 60 1.051 9.045 4.289 1.00 0.00 N ATOM 951 CA PHE A 60 0.017 8.085 3.932 1.00 0.00 C ATOM 952 C PHE A 60 -0.360 7.227 5.132 1.00 0.00 C ATOM 953 O PHE A 60 0.413 7.089 6.080 1.00 0.00 O ATOM 954 CB PHE A 60 0.493 7.176 2.790 1.00 0.00 C ATOM 955 CG PHE A 60 0.774 7.896 1.501 1.00 0.00 C ATOM 956 CD1 PHE A 60 -0.249 8.163 0.607 1.00 0.00 C ATOM 957 CD2 PHE A 60 2.062 8.297 1.179 1.00 0.00 C ATOM 958 CE1 PHE A 60 0.004 8.819 -0.581 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.322 8.952 -0.010 1.00 0.00 C ATOM 960 CZ PHE A 60 1.291 9.213 -0.891 1.00 0.00 C ATOM 0 H PHE A 60 1.828 8.655 4.822 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.858 8.646 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.398 6.657 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.264 6.413 2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.257 7.854 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.871 8.095 1.865 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.804 9.024 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.329 9.259 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.491 9.724 -1.821 1.00 0.00 H new ATOM 970 N VAL A 61 -1.556 6.666 5.097 1.00 0.00 N ATOM 971 CA VAL A 61 -1.955 5.691 6.093 1.00 0.00 C ATOM 972 C VAL A 61 -1.583 4.306 5.606 1.00 0.00 C ATOM 973 O VAL A 61 -2.172 3.795 4.652 1.00 0.00 O ATOM 974 CB VAL A 61 -3.469 5.733 6.384 1.00 0.00 C ATOM 975 CG1 VAL A 61 -3.844 4.691 7.427 1.00 0.00 C ATOM 976 CG2 VAL A 61 -3.883 7.116 6.843 1.00 0.00 C ATOM 0 H VAL A 61 -2.265 6.869 4.392 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.434 5.934 7.019 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.002 5.501 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.916 4.737 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.583 3.698 7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.302 4.890 8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.954 7.127 7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.341 7.375 7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.652 7.842 6.064 1.00 0.00 H new ATOM 986 N ASN A 62 -0.602 3.708 6.249 1.00 0.00 N ATOM 987 CA ASN A 62 -0.142 2.387 5.867 1.00 0.00 C ATOM 988 C ASN A 62 -1.076 1.329 6.429 1.00 0.00 C ATOM 989 O ASN A 62 -1.054 1.047 7.621 1.00 0.00 O ATOM 990 CB ASN A 62 1.284 2.157 6.374 1.00 0.00 C ATOM 991 CG ASN A 62 2.307 3.032 5.672 1.00 0.00 C ATOM 992 OD1 ASN A 62 2.177 3.339 4.488 1.00 0.00 O ATOM 993 ND2 ASN A 62 3.330 3.445 6.402 1.00 0.00 N ATOM 0 H ASN A 62 -0.106 4.116 7.041 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.141 2.315 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.320 2.353 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.550 1.110 6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.046 4.040 5.986 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.402 3.169 7.381 1.00 0.00 H new ATOM 1000 N LEU A 63 -1.914 0.775 5.572 1.00 0.00 N ATOM 1001 CA LEU A 63 -2.850 -0.258 5.974 1.00 0.00 C ATOM 1002 C LEU A 63 -2.412 -1.601 5.411 1.00 0.00 C ATOM 1003 O LEU A 63 -2.214 -1.745 4.210 1.00 0.00 O ATOM 1004 CB LEU A 63 -4.262 0.095 5.487 1.00 0.00 C ATOM 1005 CG LEU A 63 -5.330 -0.991 5.675 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -5.494 -1.347 7.144 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -6.659 -0.534 5.090 1.00 0.00 C ATOM 0 H LEU A 63 -1.965 1.026 4.585 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.865 -0.324 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.591 0.994 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.208 0.344 4.427 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.001 -1.884 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.257 -2.119 7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.547 -1.717 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.796 -0.461 7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.406 -1.315 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.985 0.376 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.539 -0.335 4.025 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.258 -2.578 6.286 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.874 -3.917 5.870 1.00 0.00 C ATOM 1021 C LYS A 64 -3.066 -4.850 5.988 1.00 0.00 C ATOM 1022 O LYS A 64 -3.669 -4.952 7.054 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.721 -4.430 6.734 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.259 -5.833 6.375 1.00 0.00 C ATOM 1025 CD LYS A 64 0.795 -6.328 7.348 1.00 0.00 C ATOM 1026 CE LYS A 64 1.218 -7.753 7.037 1.00 0.00 C ATOM 1027 NZ LYS A 64 2.265 -8.228 7.978 1.00 0.00 N ATOM 0 H LYS A 64 -2.393 -2.470 7.291 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.544 -3.885 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.122 -3.746 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.029 -4.416 7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.111 -6.512 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.145 -5.838 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.665 -5.673 7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.405 -6.277 8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.351 -8.411 7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.594 -7.807 6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.531 -9.204 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.101 -7.614 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.897 -8.199 8.950 1.00 0.00 H new ATOM 1041 N MET A 65 -3.415 -5.516 4.896 1.00 0.00 N ATOM 1042 CA MET A 65 -4.556 -6.423 4.901 1.00 0.00 C ATOM 1043 C MET A 65 -4.227 -7.720 4.181 1.00 0.00 C ATOM 1044 O MET A 65 -3.582 -7.713 3.132 1.00 0.00 O ATOM 1045 CB MET A 65 -5.779 -5.775 4.249 1.00 0.00 C ATOM 1046 CG MET A 65 -6.324 -4.580 5.013 1.00 0.00 C ATOM 1047 SD MET A 65 -7.878 -3.974 4.328 1.00 0.00 S ATOM 1048 CE MET A 65 -8.930 -5.399 4.604 1.00 0.00 C ATOM 0 H MET A 65 -2.929 -5.447 4.002 1.00 0.00 H new ATOM 0 HA MET A 65 -4.787 -6.645 5.943 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.516 -5.459 3.240 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.566 -6.523 4.154 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.474 -4.857 6.056 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.587 -3.777 5.000 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.211 -5.835 3.645 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.392 -6.140 5.195 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.828 -5.090 5.140 1.00 0.00 H new ATOM 1058 N ASP A 66 -4.667 -8.829 4.755 1.00 0.00 N ATOM 1059 CA ASP A 66 -4.496 -10.130 4.125 1.00 0.00 C ATOM 1060 C ASP A 66 -5.684 -10.419 3.225 1.00 0.00 C ATOM 1061 O ASP A 66 -6.772 -9.874 3.418 1.00 0.00 O ATOM 1062 CB ASP A 66 -4.377 -11.247 5.158 1.00 0.00 C ATOM 1063 CG ASP A 66 -3.535 -12.405 4.664 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -4.060 -13.239 3.897 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -2.346 -12.492 5.043 1.00 0.00 O ATOM 0 H ASP A 66 -5.145 -8.855 5.656 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.574 -10.098 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.939 -10.847 6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.373 -11.609 5.414 1.00 0.00 H new ATOM 1070 N MET A 67 -5.479 -11.285 2.258 1.00 0.00 N ATOM 1071 CA MET A 67 -6.511 -11.621 1.291 1.00 0.00 C ATOM 1072 C MET A 67 -7.426 -12.724 1.807 1.00 0.00 C ATOM 1073 O MET A 67 -8.420 -13.071 1.167 1.00 0.00 O ATOM 1074 CB MET A 67 -5.850 -12.057 -0.005 1.00 0.00 C ATOM 1075 CG MET A 67 -5.217 -10.908 -0.772 1.00 0.00 C ATOM 1076 SD MET A 67 -4.559 -11.415 -2.370 1.00 0.00 S ATOM 1077 CE MET A 67 -3.948 -9.849 -2.984 1.00 0.00 C ATOM 0 H MET A 67 -4.597 -11.777 2.116 1.00 0.00 H new ATOM 0 HA MET A 67 -7.127 -10.738 1.120 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.085 -12.801 0.217 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.593 -12.542 -0.638 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.960 -10.124 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.414 -10.476 -0.174 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.083 -10.022 -3.624 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.731 -9.353 -3.558 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.658 -9.217 -2.144 1.00 0.00 H new ATOM 1087 N GLU A 68 -7.105 -13.252 2.976 1.00 0.00 N ATOM 1088 CA GLU A 68 -7.878 -14.341 3.562 1.00 0.00 C ATOM 1089 C GLU A 68 -8.587 -13.857 4.814 1.00 0.00 C ATOM 1090 O GLU A 68 -9.483 -14.517 5.340 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.948 -15.495 3.931 1.00 0.00 C ATOM 1092 CG GLU A 68 -6.024 -15.928 2.809 1.00 0.00 C ATOM 1093 CD GLU A 68 -6.708 -16.793 1.771 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -7.044 -17.957 2.089 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -6.886 -16.332 0.629 1.00 0.00 O ATOM 0 H GLU A 68 -6.313 -12.945 3.541 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.614 -14.681 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.346 -15.201 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.551 -16.349 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.615 -15.043 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.182 -16.477 3.232 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.178 -12.689 5.276 1.00 0.00 N ATOM 1103 CA LYS A 69 -8.695 -12.124 6.512 1.00 0.00 C ATOM 1104 C LYS A 69 -9.736 -11.042 6.238 1.00 0.00 C ATOM 1105 O LYS A 69 -9.458 -10.048 5.564 1.00 0.00 O ATOM 1106 CB LYS A 69 -7.536 -11.552 7.341 1.00 0.00 C ATOM 1107 CG LYS A 69 -7.968 -10.760 8.566 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.707 -11.620 9.576 1.00 0.00 C ATOM 1109 CE LYS A 69 -9.142 -10.792 10.775 1.00 0.00 C ATOM 1110 NZ LYS A 69 -9.912 -11.591 11.764 1.00 0.00 N ATOM 0 H LYS A 69 -7.482 -12.107 4.809 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.186 -12.919 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.896 -12.373 7.662 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.932 -10.908 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.090 -10.320 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.610 -9.935 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.580 -12.073 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.063 -12.436 9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.262 -10.369 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.752 -9.955 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.186 -10.984 12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.766 -11.974 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.323 -12.375 12.111 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.943 -11.263 6.743 1.00 0.00 N ATOM 1125 CA GLY A 70 -11.970 -10.242 6.717 1.00 0.00 C ATOM 1126 C GLY A 70 -12.461 -9.916 5.325 1.00 0.00 C ATOM 1127 O GLY A 70 -12.907 -10.795 4.586 1.00 0.00 O ATOM 0 H GLY A 70 -11.230 -12.142 7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.814 -10.571 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.581 -9.334 7.178 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.373 -8.647 4.965 1.00 0.00 N ATOM 1132 CA GLU A 71 -12.854 -8.180 3.676 1.00 0.00 C ATOM 1133 C GLU A 71 -11.730 -8.178 2.648 1.00 0.00 C ATOM 1134 O GLU A 71 -11.883 -7.637 1.552 1.00 0.00 O ATOM 1135 CB GLU A 71 -13.478 -6.781 3.788 1.00 0.00 C ATOM 1136 CG GLU A 71 -12.610 -5.753 4.500 1.00 0.00 C ATOM 1137 CD GLU A 71 -12.575 -5.952 6.002 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -13.536 -5.543 6.683 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -11.594 -6.528 6.512 1.00 0.00 O ATOM 0 H GLU A 71 -11.970 -7.917 5.552 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.629 -8.871 3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.701 -6.416 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.428 -6.863 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.595 -5.807 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.984 -4.753 4.279 1.00 0.00 H new ATOM 1146 N GLY A 72 -10.606 -8.797 2.998 1.00 0.00 N ATOM 1147 CA GLY A 72 -9.518 -8.953 2.052 1.00 0.00 C ATOM 1148 C GLY A 72 -9.958 -9.728 0.827 1.00 0.00 C ATOM 1149 O GLY A 72 -9.508 -9.460 -0.284 1.00 0.00 O ATOM 0 H GLY A 72 -10.430 -9.193 3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.152 -7.971 1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.687 -9.470 2.532 1.00 0.00 H new ATOM 1153 N VAL A 73 -10.858 -10.683 1.040 1.00 0.00 N ATOM 1154 CA VAL A 73 -11.434 -11.470 -0.046 1.00 0.00 C ATOM 1155 C VAL A 73 -12.316 -10.598 -0.947 1.00 0.00 C ATOM 1156 O VAL A 73 -12.367 -10.791 -2.165 1.00 0.00 O ATOM 1157 CB VAL A 73 -12.247 -12.670 0.509 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -13.258 -12.217 1.554 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -12.940 -13.431 -0.613 1.00 0.00 C ATOM 0 H VAL A 73 -11.207 -10.933 1.965 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.612 -11.861 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.542 -13.346 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.811 -13.080 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -12.735 -11.739 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.952 -11.506 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.502 -14.266 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.622 -12.763 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -12.193 -13.810 -1.311 1.00 0.00 H new ATOM 1169 N GLU A 74 -12.984 -9.619 -0.342 1.00 0.00 N ATOM 1170 CA GLU A 74 -13.826 -8.690 -1.086 1.00 0.00 C ATOM 1171 C GLU A 74 -12.962 -7.747 -1.918 1.00 0.00 C ATOM 1172 O GLU A 74 -13.215 -7.546 -3.103 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.734 -7.894 -0.134 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.539 -6.803 -0.825 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.610 -6.203 0.065 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -16.346 -5.987 1.267 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -17.731 -5.953 -0.434 1.00 0.00 O ATOM 0 H GLU A 74 -12.957 -9.449 0.663 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.463 -9.264 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.420 -8.582 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.121 -7.442 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.863 -6.013 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -16.006 -7.215 -1.719 1.00 0.00 H new ATOM 1184 N LEU A 75 -11.926 -7.195 -1.300 1.00 0.00 N ATOM 1185 CA LEU A 75 -11.005 -6.305 -1.998 1.00 0.00 C ATOM 1186 C LEU A 75 -10.253 -7.067 -3.086 1.00 0.00 C ATOM 1187 O LEU A 75 -9.888 -6.506 -4.122 1.00 0.00 O ATOM 1188 CB LEU A 75 -10.016 -5.676 -1.012 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.653 -4.856 0.113 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.583 -4.249 1.003 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -11.551 -3.767 -0.455 1.00 0.00 C ATOM 0 H LEU A 75 -11.702 -7.347 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.583 -5.508 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.416 -6.470 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.333 -5.033 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.266 -5.526 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.055 -3.670 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.981 -5.044 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.943 -3.596 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.993 -3.197 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.961 -3.101 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.343 -4.222 -1.050 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.026 -8.348 -2.837 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.352 -9.221 -3.788 1.00 0.00 C ATOM 1205 C ARG A 76 -10.119 -9.284 -5.110 1.00 0.00 C ATOM 1206 O ARG A 76 -9.554 -9.043 -6.179 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.217 -10.619 -3.181 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.309 -11.558 -3.955 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.156 -12.884 -3.230 1.00 0.00 C ATOM 1210 NE ARG A 76 -7.226 -13.791 -3.901 1.00 0.00 N ATOM 1211 CZ ARG A 76 -7.099 -15.080 -3.592 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -7.840 -15.611 -2.624 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -6.230 -15.838 -4.249 1.00 0.00 N ATOM 0 H ARG A 76 -10.303 -8.812 -1.972 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.361 -8.819 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.838 -10.524 -2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.208 -11.068 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.719 -11.728 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.330 -11.097 -4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.807 -12.699 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.131 -13.364 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.642 -13.415 -4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.508 -15.031 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.741 -16.599 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.659 -15.433 -4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.133 -16.825 -4.012 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.410 -9.587 -5.028 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.251 -9.710 -6.215 1.00 0.00 C ATOM 1229 C LYS A 77 -12.633 -8.339 -6.772 1.00 0.00 C ATOM 1230 O LYS A 77 -12.799 -8.175 -7.981 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.509 -10.520 -5.886 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.290 -9.982 -4.697 1.00 0.00 C ATOM 1233 CD LYS A 77 -15.562 -10.776 -4.442 1.00 0.00 C ATOM 1234 CE LYS A 77 -16.549 -10.639 -5.591 1.00 0.00 C ATOM 1235 NZ LYS A 77 -17.889 -11.173 -5.238 1.00 0.00 N ATOM 0 H LYS A 77 -11.899 -9.753 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.679 -10.233 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.160 -10.534 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.223 -11.552 -5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.661 -10.011 -3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.545 -8.937 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.313 -11.827 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.028 -10.431 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.639 -9.589 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -16.166 -11.168 -6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -18.532 -11.061 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.808 -12.182 -4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.267 -10.651 -4.421 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.760 -7.360 -5.883 1.00 0.00 N ATOM 1250 CA LYS A 78 -13.174 -6.012 -6.269 1.00 0.00 C ATOM 1251 C LYS A 78 -12.153 -5.374 -7.209 1.00 0.00 C ATOM 1252 O LYS A 78 -12.514 -4.770 -8.223 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.366 -5.145 -5.017 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.774 -3.707 -5.306 1.00 0.00 C ATOM 1255 CD LYS A 78 -13.915 -2.908 -4.018 1.00 0.00 C ATOM 1256 CE LYS A 78 -14.140 -1.427 -4.287 1.00 0.00 C ATOM 1257 NZ LYS A 78 -15.467 -1.149 -4.898 1.00 0.00 N ATOM 0 H LYS A 78 -12.582 -7.474 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.122 -6.081 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -14.125 -5.605 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.437 -5.139 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.030 -3.237 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.719 -3.696 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.749 -3.302 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.017 -3.034 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.053 -0.875 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.356 -1.059 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.567 -0.127 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.544 -1.652 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.219 -1.474 -4.257 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.882 -5.518 -6.871 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.804 -4.963 -7.682 1.00 0.00 C ATOM 1273 C TYR A 79 -9.349 -5.971 -8.735 1.00 0.00 C ATOM 1274 O TYR A 79 -8.895 -5.591 -9.813 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.648 -4.535 -6.776 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.016 -3.354 -5.899 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.714 -3.533 -4.709 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -8.693 -2.059 -6.277 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.075 -2.457 -3.922 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.056 -0.978 -5.499 1.00 0.00 C ATOM 1281 CZ TYR A 79 -9.745 -1.183 -4.322 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.121 -0.105 -3.556 1.00 0.00 O ATOM 0 H TYR A 79 -10.568 -6.016 -6.038 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.168 -4.083 -8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.351 -5.374 -6.147 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.785 -4.275 -7.389 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.978 -4.532 -4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.149 -1.894 -7.195 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.613 -2.615 -2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.801 0.024 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.162 -0.372 -2.614 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.504 -7.256 -8.429 1.00 0.00 N ATOM 1293 CA GLY A 80 -9.184 -8.295 -9.390 1.00 0.00 C ATOM 1294 C GLY A 80 -7.703 -8.600 -9.441 1.00 0.00 C ATOM 1295 O GLY A 80 -7.008 -8.208 -10.381 1.00 0.00 O ATOM 0 H GLY A 80 -9.846 -7.596 -7.530 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.730 -9.203 -9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.523 -7.987 -10.379 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.210 -9.291 -8.427 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.792 -9.608 -8.349 1.00 0.00 C ATOM 1301 C VAL A 81 -5.426 -10.745 -9.306 1.00 0.00 C ATOM 1302 O VAL A 81 -6.141 -11.744 -9.416 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.367 -9.972 -6.906 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -6.064 -11.235 -6.434 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -3.856 -10.122 -6.800 1.00 0.00 C ATOM 0 H VAL A 81 -7.767 -9.643 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.249 -8.712 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.672 -9.152 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.747 -11.467 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.143 -11.083 -6.452 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.803 -12.063 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.587 -10.378 -5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.521 -10.913 -7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.377 -9.183 -7.077 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.327 -10.564 -10.026 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.803 -11.595 -10.919 1.00 0.00 C ATOM 1317 C HIS A 82 -2.290 -11.695 -10.753 1.00 0.00 C ATOM 1318 O HIS A 82 -1.582 -12.205 -11.624 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.156 -11.289 -12.380 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.623 -11.364 -12.685 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.383 -10.259 -13.004 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.466 -12.421 -12.727 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.629 -10.636 -13.233 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.706 -11.944 -13.071 1.00 0.00 N ATOM 0 H HIS A 82 -3.775 -9.706 -10.010 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.261 -12.548 -10.655 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.795 -10.291 -12.628 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.626 -11.990 -13.025 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.210 -13.451 -12.527 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.446 -9.984 -13.506 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.549 -12.508 -13.183 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.811 -11.224 -9.609 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.387 -11.179 -9.317 1.00 0.00 C ATOM 1335 C ALA A 83 -0.147 -11.578 -7.867 1.00 0.00 C ATOM 1336 O ALA A 83 -1.053 -12.089 -7.211 1.00 0.00 O ATOM 1337 CB ALA A 83 0.154 -9.780 -9.588 1.00 0.00 C ATOM 0 H ALA A 83 -2.400 -10.863 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 83 0.138 -11.883 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.221 -9.753 -9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.006 -9.525 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.365 -9.060 -8.955 1.00 0.00 H new ATOM 1343 N TYR A 84 1.062 -11.361 -7.370 1.00 0.00 N ATOM 1344 CA TYR A 84 1.351 -11.628 -5.963 1.00 0.00 C ATOM 1345 C TYR A 84 1.140 -10.367 -5.111 1.00 0.00 C ATOM 1346 O TYR A 84 0.354 -10.391 -4.159 1.00 0.00 O ATOM 1347 CB TYR A 84 2.775 -12.163 -5.766 1.00 0.00 C ATOM 1348 CG TYR A 84 3.104 -13.379 -6.606 1.00 0.00 C ATOM 1349 CD1 TYR A 84 2.363 -14.547 -6.496 1.00 0.00 C ATOM 1350 CD2 TYR A 84 4.158 -13.356 -7.511 1.00 0.00 C ATOM 1351 CE1 TYR A 84 2.659 -15.658 -7.263 1.00 0.00 C ATOM 1352 CE2 TYR A 84 4.460 -14.462 -8.283 1.00 0.00 C ATOM 1353 CZ TYR A 84 3.708 -15.609 -8.156 1.00 0.00 C ATOM 1354 OH TYR A 84 4.004 -16.712 -8.925 1.00 0.00 O ATOM 0 H TYR A 84 1.851 -11.005 -7.909 1.00 0.00 H new ATOM 0 HA TYR A 84 0.653 -12.398 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.485 -11.370 -6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.915 -12.413 -4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.540 -14.589 -5.798 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.751 -12.459 -7.613 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.072 -16.559 -7.163 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.282 -14.427 -8.983 1.00 0.00 H new ATOM 0 HH TYR A 84 4.770 -16.512 -9.503 1.00 0.00 H new ATOM 1364 N PRO A 85 1.842 -9.248 -5.420 1.00 0.00 N ATOM 1365 CA PRO A 85 1.679 -7.998 -4.702 1.00 0.00 C ATOM 1366 C PRO A 85 0.735 -7.027 -5.416 1.00 0.00 C ATOM 1367 O PRO A 85 0.589 -7.064 -6.640 1.00 0.00 O ATOM 1368 CB PRO A 85 3.105 -7.445 -4.690 1.00 0.00 C ATOM 1369 CG PRO A 85 3.762 -7.997 -5.926 1.00 0.00 C ATOM 1370 CD PRO A 85 2.877 -9.103 -6.459 1.00 0.00 C ATOM 0 HA PRO A 85 1.236 -8.137 -3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.103 -6.355 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.638 -7.754 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 85 3.889 -7.214 -6.674 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.756 -8.380 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.443 -8.840 -7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.434 -10.029 -6.602 1.00 0.00 H new ATOM 1378 N THR A 86 0.079 -6.176 -4.648 1.00 0.00 N ATOM 1379 CA THR A 86 -0.759 -5.132 -5.210 1.00 0.00 C ATOM 1380 C THR A 86 -0.766 -3.905 -4.302 1.00 0.00 C ATOM 1381 O THR A 86 -1.122 -3.993 -3.124 1.00 0.00 O ATOM 1382 CB THR A 86 -2.209 -5.619 -5.423 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.211 -6.837 -6.184 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.026 -4.563 -6.158 1.00 0.00 C ATOM 0 H THR A 86 0.111 -6.188 -3.629 1.00 0.00 H new ATOM 0 HA THR A 86 -0.338 -4.867 -6.180 1.00 0.00 H new ATOM 0 HB THR A 86 -2.658 -5.798 -4.446 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.134 -7.140 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.045 -4.924 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.045 -3.644 -5.572 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.574 -4.364 -7.130 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.362 -2.768 -4.852 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.342 -1.524 -4.099 1.00 0.00 C ATOM 1394 C LEU A 87 -1.578 -0.698 -4.430 1.00 0.00 C ATOM 1395 O LEU A 87 -1.785 -0.300 -5.580 1.00 0.00 O ATOM 1396 CB LEU A 87 0.925 -0.709 -4.396 1.00 0.00 C ATOM 1397 CG LEU A 87 2.243 -1.286 -3.864 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.661 -2.533 -4.636 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.334 -0.229 -3.931 1.00 0.00 C ATOM 0 H LEU A 87 -0.044 -2.683 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.342 -1.773 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.013 -0.594 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.795 0.290 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 87 2.090 -1.580 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.599 -2.914 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.888 -3.296 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.795 -2.282 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.267 -0.645 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.471 0.087 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.046 0.630 -3.324 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.408 -0.459 -3.429 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.642 0.285 -3.630 1.00 0.00 C ATOM 1413 C LEU A 88 -3.498 1.715 -3.132 1.00 0.00 C ATOM 1414 O LEU A 88 -2.955 1.955 -2.051 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.823 -0.387 -2.916 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.277 -1.738 -3.483 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -5.413 -1.662 -4.995 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -4.322 -2.850 -3.078 1.00 0.00 C ATOM 0 H LEU A 88 -2.251 -0.768 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.842 0.295 -4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.555 -0.527 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.671 0.297 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.255 -1.972 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.736 -2.629 -5.380 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.150 -0.903 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.451 -1.399 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.668 -3.796 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.325 -2.630 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.288 -2.922 -1.991 1.00 0.00 H new ATOM 1430 N PHE A 89 -3.992 2.660 -3.921 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.992 4.061 -3.533 1.00 0.00 C ATOM 1432 C PHE A 89 -5.426 4.575 -3.448 1.00 0.00 C ATOM 1433 O PHE A 89 -6.096 4.765 -4.469 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.191 4.896 -4.537 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.757 4.471 -4.671 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.803 4.915 -3.773 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.366 3.627 -5.698 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.515 4.524 -3.894 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.049 3.233 -5.824 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.893 3.681 -4.920 1.00 0.00 C ATOM 0 H PHE A 89 -4.400 2.478 -4.838 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.521 4.153 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.672 4.833 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.223 5.942 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.093 5.575 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.100 3.274 -6.408 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.250 4.877 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.244 2.575 -6.629 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.924 3.373 -5.015 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.900 4.783 -2.229 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.276 5.198 -2.008 1.00 0.00 C ATOM 1452 C ILE A 90 -7.349 6.664 -1.597 1.00 0.00 C ATOM 1453 O ILE A 90 -6.658 7.104 -0.675 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.968 4.315 -0.939 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.102 2.873 -1.444 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -9.336 4.874 -0.566 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -8.877 2.753 -2.739 1.00 0.00 C ATOM 0 H ILE A 90 -5.351 4.671 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.805 5.073 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.346 4.319 -0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.106 2.453 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.595 2.273 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.798 4.234 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.220 5.881 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.969 4.908 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.931 1.705 -3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -9.885 3.142 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.374 3.325 -3.519 1.00 0.00 H new ATOM 1469 N ASN A 91 -8.177 7.413 -2.308 1.00 0.00 N ATOM 1470 CA ASN A 91 -8.396 8.823 -2.025 1.00 0.00 C ATOM 1471 C ASN A 91 -9.634 8.993 -1.154 1.00 0.00 C ATOM 1472 O ASN A 91 -10.279 8.010 -0.793 1.00 0.00 O ATOM 1473 CB ASN A 91 -8.559 9.603 -3.336 1.00 0.00 C ATOM 1474 CG ASN A 91 -9.761 9.161 -4.154 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -10.186 8.002 -4.103 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -10.316 10.082 -4.921 1.00 0.00 N ATOM 0 H ASN A 91 -8.717 7.060 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.532 9.216 -1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.653 10.665 -3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.657 9.484 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.124 9.846 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.937 11.029 -4.937 1.00 0.00 H new ATOM 1483 N SER A 92 -9.982 10.237 -0.844 1.00 0.00 N ATOM 1484 CA SER A 92 -11.122 10.520 0.021 1.00 0.00 C ATOM 1485 C SER A 92 -12.446 10.121 -0.635 1.00 0.00 C ATOM 1486 O SER A 92 -13.464 9.975 0.044 1.00 0.00 O ATOM 1487 CB SER A 92 -11.139 12.001 0.391 1.00 0.00 C ATOM 1488 OG SER A 92 -10.008 12.337 1.180 1.00 0.00 O ATOM 0 H SER A 92 -9.491 11.066 -1.179 1.00 0.00 H new ATOM 0 HA SER A 92 -11.012 9.922 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.149 12.607 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.052 12.233 0.939 1.00 0.00 H new ATOM 0 HG SER A 92 -10.251 12.307 2.129 1.00 0.00 H new ATOM 1494 N SER A 93 -12.436 9.954 -1.950 1.00 0.00 N ATOM 1495 CA SER A 93 -13.626 9.514 -2.660 1.00 0.00 C ATOM 1496 C SER A 93 -13.787 8.001 -2.547 1.00 0.00 C ATOM 1497 O SER A 93 -14.896 7.477 -2.627 1.00 0.00 O ATOM 1498 CB SER A 93 -13.544 9.927 -4.127 1.00 0.00 C ATOM 1499 OG SER A 93 -13.195 11.296 -4.243 1.00 0.00 O ATOM 0 H SER A 93 -11.622 10.116 -2.543 1.00 0.00 H new ATOM 0 HA SER A 93 -14.496 9.989 -2.207 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.805 9.313 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.502 9.748 -4.614 1.00 0.00 H new ATOM 0 HG SER A 93 -13.146 11.542 -5.190 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.668 7.307 -2.353 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.692 5.861 -2.243 1.00 0.00 C ATOM 1507 C GLY A 94 -12.866 5.179 -3.587 1.00 0.00 C ATOM 1508 O GLY A 94 -13.089 3.971 -3.654 1.00 0.00 O ATOM 0 H GLY A 94 -11.741 7.725 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.765 5.519 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.505 5.564 -1.580 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.730 5.950 -4.661 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.989 5.445 -6.004 1.00 0.00 C ATOM 1514 C GLU A 95 -11.710 5.006 -6.695 1.00 0.00 C ATOM 1515 O GLU A 95 -11.693 4.811 -7.913 1.00 0.00 O ATOM 1516 CB GLU A 95 -13.695 6.506 -6.846 1.00 0.00 C ATOM 1517 CG GLU A 95 -15.072 6.872 -6.322 1.00 0.00 C ATOM 1518 CD GLU A 95 -15.971 5.663 -6.167 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -16.060 4.853 -7.111 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -16.602 5.521 -5.103 1.00 0.00 O ATOM 0 H GLU A 95 -12.442 6.928 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.636 4.573 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -13.077 7.403 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.788 6.144 -7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.970 7.372 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.539 7.584 -7.002 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.655 4.830 -5.905 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.353 4.382 -6.410 1.00 0.00 C ATOM 1529 C VAL A 96 -8.713 5.441 -7.308 1.00 0.00 C ATOM 1530 O VAL A 96 -9.113 5.620 -8.458 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.465 3.049 -7.191 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -8.090 2.516 -7.572 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.230 2.016 -6.383 1.00 0.00 C ATOM 0 H VAL A 96 -10.674 4.992 -4.898 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.720 4.221 -5.537 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.016 3.247 -8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.201 1.580 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.579 3.245 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.505 2.341 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.297 1.087 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.710 1.831 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.233 2.387 -6.175 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.724 6.149 -6.781 1.00 0.00 N ATOM 1544 CA VAL A 97 -7.032 7.161 -7.567 1.00 0.00 C ATOM 1545 C VAL A 97 -6.016 6.493 -8.497 1.00 0.00 C ATOM 1546 O VAL A 97 -5.758 6.971 -9.602 1.00 0.00 O ATOM 1547 CB VAL A 97 -6.344 8.225 -6.672 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.246 7.613 -5.816 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -5.798 9.371 -7.516 1.00 0.00 C ATOM 0 H VAL A 97 -7.386 6.044 -5.824 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.776 7.685 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.101 8.625 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.787 8.389 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.673 6.846 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.489 7.165 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.320 10.105 -6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.067 8.984 -8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.616 9.845 -8.059 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.468 5.368 -8.045 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.547 4.576 -8.848 1.00 0.00 C ATOM 1561 C TYR A 98 -4.360 3.199 -8.219 1.00 0.00 C ATOM 1562 O TYR A 98 -4.409 3.049 -6.996 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.188 5.280 -8.990 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.214 4.544 -9.894 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.424 4.476 -11.267 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.090 3.915 -9.372 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.542 3.800 -12.093 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.204 3.239 -10.192 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.434 3.184 -11.551 1.00 0.00 C ATOM 1570 OH TYR A 98 0.443 2.507 -12.373 1.00 0.00 O ATOM 0 H TYR A 98 -5.650 4.984 -7.118 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.975 4.463 -9.844 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.348 6.284 -9.383 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.741 5.391 -8.002 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.290 4.959 -11.696 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.905 3.955 -8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.721 3.755 -13.157 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.665 2.756 -9.769 1.00 0.00 H new ATOM 0 HH TYR A 98 1.171 2.131 -11.836 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.172 2.197 -9.062 1.00 0.00 N ATOM 1581 CA ARG A 99 -3.902 0.845 -8.603 1.00 0.00 C ATOM 1582 C ARG A 99 -2.612 0.342 -9.238 1.00 0.00 C ATOM 1583 O ARG A 99 -2.513 0.233 -10.461 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.065 -0.086 -8.955 1.00 0.00 C ATOM 1585 CG ARG A 99 -4.827 -1.531 -8.563 1.00 0.00 C ATOM 1586 CD ARG A 99 -5.976 -2.410 -9.007 1.00 0.00 C ATOM 1587 NE ARG A 99 -5.757 -3.813 -8.680 1.00 0.00 N ATOM 1588 CZ ARG A 99 -5.900 -4.802 -9.558 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -6.168 -4.529 -10.832 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -5.763 -6.059 -9.163 1.00 0.00 N ATOM 0 H ARG A 99 -4.202 2.297 -10.077 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.791 0.854 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.968 0.272 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.248 -0.035 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.899 -1.885 -9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.706 -1.603 -7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.896 -2.068 -8.533 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -6.114 -2.307 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.479 -4.049 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.264 -3.560 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.277 -5.288 -11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.548 -6.267 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.872 -6.819 -9.834 1.00 0.00 H new ATOM 1604 N LEU A 100 -1.623 0.050 -8.410 1.00 0.00 N ATOM 1605 CA LEU A 100 -0.330 -0.390 -8.905 1.00 0.00 C ATOM 1606 C LEU A 100 -0.209 -1.909 -8.825 1.00 0.00 C ATOM 1607 O LEU A 100 -0.140 -2.486 -7.737 1.00 0.00 O ATOM 1608 CB LEU A 100 0.800 0.281 -8.117 1.00 0.00 C ATOM 1609 CG LEU A 100 2.218 -0.081 -8.568 1.00 0.00 C ATOM 1610 CD1 LEU A 100 2.444 0.317 -10.019 1.00 0.00 C ATOM 1611 CD2 LEU A 100 3.245 0.589 -7.671 1.00 0.00 C ATOM 0 H LEU A 100 -1.691 0.110 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.245 -0.096 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.679 1.362 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.693 0.018 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 100 2.335 -1.162 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.458 0.050 -10.316 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.730 -0.206 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.306 1.393 -10.127 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.248 0.322 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.122 1.671 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.103 0.255 -6.643 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.211 -2.549 -9.985 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.048 -3.993 -10.062 1.00 0.00 C ATOM 1625 C VAL A 101 1.419 -4.334 -10.299 1.00 0.00 C ATOM 1626 O VAL A 101 1.937 -4.167 -11.408 1.00 0.00 O ATOM 1627 CB VAL A 101 -0.912 -4.606 -11.186 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -0.792 -6.124 -11.198 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -2.366 -4.186 -11.031 1.00 0.00 C ATOM 0 H VAL A 101 -0.324 -2.089 -10.888 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.380 -4.417 -9.114 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.543 -4.230 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.410 -6.531 -11.998 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.248 -6.405 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.128 -6.523 -10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.960 -4.627 -11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.743 -4.530 -10.068 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.438 -3.100 -11.082 1.00 0.00 H new ATOM 1639 N GLY A 102 2.078 -4.798 -9.251 1.00 0.00 N ATOM 1640 CA GLY A 102 3.495 -5.086 -9.328 1.00 0.00 C ATOM 1641 C GLY A 102 4.278 -4.247 -8.342 1.00 0.00 C ATOM 1642 O GLY A 102 3.857 -3.141 -7.995 1.00 0.00 O ATOM 0 H GLY A 102 1.654 -4.982 -8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.665 -6.143 -9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.854 -4.893 -10.339 1.00 0.00 H new ATOM 1646 N ALA A 103 5.413 -4.754 -7.885 1.00 0.00 N ATOM 1647 CA ALA A 103 6.205 -4.048 -6.888 1.00 0.00 C ATOM 1648 C ALA A 103 7.695 -4.116 -7.204 1.00 0.00 C ATOM 1649 O ALA A 103 8.297 -5.192 -7.195 1.00 0.00 O ATOM 1650 CB ALA A 103 5.931 -4.608 -5.502 1.00 0.00 C ATOM 0 H ALA A 103 5.805 -5.646 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 103 5.909 -2.999 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.530 -4.070 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.874 -4.490 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.192 -5.666 -5.479 1.00 0.00 H new ATOM 1656 N GLU A 104 8.277 -2.962 -7.497 1.00 0.00 N ATOM 1657 CA GLU A 104 9.707 -2.864 -7.759 1.00 0.00 C ATOM 1658 C GLU A 104 10.448 -2.360 -6.525 1.00 0.00 C ATOM 1659 O GLU A 104 9.856 -2.175 -5.460 1.00 0.00 O ATOM 1660 CB GLU A 104 9.979 -1.924 -8.936 1.00 0.00 C ATOM 1661 CG GLU A 104 9.355 -2.379 -10.244 1.00 0.00 C ATOM 1662 CD GLU A 104 9.756 -3.787 -10.630 1.00 0.00 C ATOM 1663 OE1 GLU A 104 10.972 -4.068 -10.697 1.00 0.00 O ATOM 1664 OE2 GLU A 104 8.855 -4.617 -10.880 1.00 0.00 O ATOM 0 H GLU A 104 7.778 -2.075 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 104 10.068 -3.861 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.601 -0.931 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.056 -1.830 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.269 -2.326 -10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.648 -1.693 -11.038 1.00 0.00 H new ATOM 1671 N ASP A 105 11.746 -2.142 -6.679 1.00 0.00 N ATOM 1672 CA ASP A 105 12.579 -1.632 -5.605 1.00 0.00 C ATOM 1673 C ASP A 105 12.279 -0.163 -5.343 1.00 0.00 C ATOM 1674 O ASP A 105 11.588 0.485 -6.129 1.00 0.00 O ATOM 1675 CB ASP A 105 14.059 -1.823 -5.940 1.00 0.00 C ATOM 1676 CG ASP A 105 14.435 -1.289 -7.306 1.00 0.00 C ATOM 1677 OD1 ASP A 105 13.891 -1.787 -8.317 1.00 0.00 O ATOM 1678 OD2 ASP A 105 15.297 -0.393 -7.380 1.00 0.00 O ATOM 0 H ASP A 105 12.248 -2.314 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 105 12.352 -2.195 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.664 -1.324 -5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.302 -2.885 -5.893 1.00 0.00 H new ATOM 1683 N ALA A 106 12.836 0.359 -4.251 1.00 0.00 N ATOM 1684 CA ALA A 106 12.515 1.702 -3.751 1.00 0.00 C ATOM 1685 C ALA A 106 12.473 2.788 -4.841 1.00 0.00 C ATOM 1686 O ALA A 106 11.459 3.480 -4.962 1.00 0.00 O ATOM 1687 CB ALA A 106 13.483 2.097 -2.645 1.00 0.00 C ATOM 0 H ALA A 106 13.525 -0.136 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 106 11.501 1.640 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.234 3.095 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.408 1.384 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.501 2.096 -3.035 1.00 0.00 H new ATOM 1693 N PRO A 107 13.547 2.964 -5.652 1.00 0.00 N ATOM 1694 CA PRO A 107 13.604 4.059 -6.635 1.00 0.00 C ATOM 1695 C PRO A 107 12.461 4.012 -7.647 1.00 0.00 C ATOM 1696 O PRO A 107 11.726 4.987 -7.813 1.00 0.00 O ATOM 1697 CB PRO A 107 14.944 3.844 -7.348 1.00 0.00 C ATOM 1698 CG PRO A 107 15.748 2.999 -6.423 1.00 0.00 C ATOM 1699 CD PRO A 107 14.766 2.132 -5.693 1.00 0.00 C ATOM 0 HA PRO A 107 13.512 5.029 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.803 3.351 -8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.441 4.794 -7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.468 2.394 -6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.317 3.615 -5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.594 1.191 -6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.116 1.882 -4.692 1.00 0.00 H new ATOM 1707 N GLU A 108 12.301 2.873 -8.305 1.00 0.00 N ATOM 1708 CA GLU A 108 11.282 2.733 -9.338 1.00 0.00 C ATOM 1709 C GLU A 108 9.886 2.582 -8.747 1.00 0.00 C ATOM 1710 O GLU A 108 8.892 2.875 -9.412 1.00 0.00 O ATOM 1711 CB GLU A 108 11.611 1.568 -10.263 1.00 0.00 C ATOM 1712 CG GLU A 108 12.682 1.915 -11.282 1.00 0.00 C ATOM 1713 CD GLU A 108 12.250 3.036 -12.213 1.00 0.00 C ATOM 1714 OE1 GLU A 108 11.650 2.735 -13.267 1.00 0.00 O ATOM 1715 OE2 GLU A 108 12.505 4.219 -11.898 1.00 0.00 O ATOM 0 H GLU A 108 12.860 2.035 -8.144 1.00 0.00 H new ATOM 0 HA GLU A 108 11.284 3.652 -9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.944 0.718 -9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.706 1.256 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.594 2.209 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.922 1.029 -11.870 1.00 0.00 H new ATOM 1722 N LEU A 109 9.811 2.131 -7.503 1.00 0.00 N ATOM 1723 CA LEU A 109 8.535 2.041 -6.812 1.00 0.00 C ATOM 1724 C LEU A 109 7.981 3.439 -6.592 1.00 0.00 C ATOM 1725 O LEU A 109 6.846 3.735 -6.962 1.00 0.00 O ATOM 1726 CB LEU A 109 8.697 1.324 -5.473 1.00 0.00 C ATOM 1727 CG LEU A 109 7.391 0.931 -4.779 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.561 0.024 -5.677 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.683 0.244 -3.456 1.00 0.00 C ATOM 0 H LEU A 109 10.614 1.824 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 109 7.840 1.466 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.290 0.423 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.267 1.967 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 109 6.818 1.837 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.636 -0.245 -5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.325 0.547 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.127 -0.880 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.745 -0.030 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.275 -0.654 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.239 0.922 -2.809 1.00 0.00 H new ATOM 1741 N LEU A 110 8.811 4.303 -6.013 1.00 0.00 N ATOM 1742 CA LEU A 110 8.450 5.701 -5.792 1.00 0.00 C ATOM 1743 C LEU A 110 8.126 6.382 -7.122 1.00 0.00 C ATOM 1744 O LEU A 110 7.266 7.263 -7.192 1.00 0.00 O ATOM 1745 CB LEU A 110 9.594 6.439 -5.085 1.00 0.00 C ATOM 1746 CG LEU A 110 9.307 7.898 -4.717 1.00 0.00 C ATOM 1747 CD1 LEU A 110 8.165 7.986 -3.715 1.00 0.00 C ATOM 1748 CD2 LEU A 110 10.559 8.563 -4.162 1.00 0.00 C ATOM 0 H LEU A 110 9.745 4.057 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 110 7.565 5.736 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.846 5.895 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.474 6.411 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 110 9.007 8.427 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.978 9.031 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.266 7.549 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.432 7.441 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.338 9.599 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.888 8.031 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.349 8.536 -4.913 1.00 0.00 H new ATOM 1760 N LYS A 111 8.819 5.953 -8.175 1.00 0.00 N ATOM 1761 CA LYS A 111 8.573 6.452 -9.525 1.00 0.00 C ATOM 1762 C LYS A 111 7.125 6.186 -9.939 1.00 0.00 C ATOM 1763 O LYS A 111 6.429 7.082 -10.423 1.00 0.00 O ATOM 1764 CB LYS A 111 9.531 5.777 -10.513 1.00 0.00 C ATOM 1765 CG LYS A 111 9.383 6.240 -11.954 1.00 0.00 C ATOM 1766 CD LYS A 111 9.943 7.640 -12.160 1.00 0.00 C ATOM 1767 CE LYS A 111 11.451 7.680 -11.966 1.00 0.00 C ATOM 1768 NZ LYS A 111 12.155 6.701 -12.839 1.00 0.00 N ATOM 0 H LYS A 111 9.561 5.255 -8.117 1.00 0.00 H new ATOM 0 HA LYS A 111 8.746 7.528 -9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.555 5.961 -10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.373 4.699 -10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.898 5.542 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.330 6.225 -12.234 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.696 7.986 -13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 111 9.468 8.328 -11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 111 11.817 8.684 -12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 111 11.687 7.470 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.058 7.107 -13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 12.337 5.828 -12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 11.562 6.484 -13.666 1.00 0.00 H new ATOM 1782 N LYS A 112 6.679 4.950 -9.738 1.00 0.00 N ATOM 1783 CA LYS A 112 5.313 4.562 -10.074 1.00 0.00 C ATOM 1784 C LYS A 112 4.307 5.207 -9.128 1.00 0.00 C ATOM 1785 O LYS A 112 3.222 5.602 -9.550 1.00 0.00 O ATOM 1786 CB LYS A 112 5.153 3.039 -10.036 1.00 0.00 C ATOM 1787 CG LYS A 112 5.816 2.308 -11.195 1.00 0.00 C ATOM 1788 CD LYS A 112 5.297 2.809 -12.537 1.00 0.00 C ATOM 1789 CE LYS A 112 5.667 1.870 -13.677 1.00 0.00 C ATOM 1790 NZ LYS A 112 7.121 1.560 -13.709 1.00 0.00 N ATOM 0 H LYS A 112 7.245 4.199 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 112 5.115 4.915 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.570 2.665 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.090 2.798 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.896 2.448 -11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.629 1.238 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.213 2.914 -12.491 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.705 3.800 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.103 0.943 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.374 2.321 -14.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.353 1.076 -14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.666 2.443 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.362 0.944 -12.907 1.00 0.00 H new ATOM 1804 N VAL A 113 4.667 5.311 -7.853 1.00 0.00 N ATOM 1805 CA VAL A 113 3.779 5.901 -6.855 1.00 0.00 C ATOM 1806 C VAL A 113 3.467 7.356 -7.192 1.00 0.00 C ATOM 1807 O VAL A 113 2.305 7.740 -7.292 1.00 0.00 O ATOM 1808 CB VAL A 113 4.385 5.828 -5.432 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.527 6.589 -4.429 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.549 4.381 -4.994 1.00 0.00 C ATOM 0 H VAL A 113 5.565 4.996 -7.486 1.00 0.00 H new ATOM 0 HA VAL A 113 2.858 5.319 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 113 5.368 6.298 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.977 6.520 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 113 3.462 7.636 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.527 6.156 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.976 4.350 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.576 3.890 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.213 3.864 -5.687 1.00 0.00 H new ATOM 1820 N LYS A 114 4.506 8.153 -7.400 1.00 0.00 N ATOM 1821 CA LYS A 114 4.330 9.577 -7.653 1.00 0.00 C ATOM 1822 C LYS A 114 3.621 9.838 -8.979 1.00 0.00 C ATOM 1823 O LYS A 114 2.584 10.499 -9.013 1.00 0.00 O ATOM 1824 CB LYS A 114 5.676 10.295 -7.615 1.00 0.00 C ATOM 1825 CG LYS A 114 6.208 10.466 -6.204 1.00 0.00 C ATOM 1826 CD LYS A 114 7.541 11.172 -6.184 1.00 0.00 C ATOM 1827 CE LYS A 114 7.454 12.574 -6.753 1.00 0.00 C ATOM 1828 NZ LYS A 114 6.471 13.429 -6.031 1.00 0.00 N ATOM 0 H LYS A 114 5.477 7.839 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 114 3.694 9.974 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.400 9.734 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.574 11.275 -8.082 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.489 11.032 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.309 9.488 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.910 11.220 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 114 8.266 10.593 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.438 13.041 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.176 12.518 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.583 14.418 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.506 13.108 -6.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.637 13.359 -5.007 1.00 0.00 H new ATOM 1842 N LEU A 115 4.162 9.290 -10.060 1.00 0.00 N ATOM 1843 CA LEU A 115 3.630 9.555 -11.398 1.00 0.00 C ATOM 1844 C LEU A 115 2.307 8.836 -11.634 1.00 0.00 C ATOM 1845 O LEU A 115 1.590 9.138 -12.587 1.00 0.00 O ATOM 1846 CB LEU A 115 4.642 9.140 -12.465 1.00 0.00 C ATOM 1847 CG LEU A 115 5.920 9.975 -12.506 1.00 0.00 C ATOM 1848 CD1 LEU A 115 6.869 9.438 -13.564 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.595 11.438 -12.776 1.00 0.00 C ATOM 0 H LEU A 115 4.965 8.662 -10.041 1.00 0.00 H new ATOM 0 HA LEU A 115 3.447 10.627 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.913 8.097 -12.300 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.160 9.194 -13.441 1.00 0.00 H new ATOM 0 HG LEU A 115 6.409 9.906 -11.534 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.775 10.044 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.127 8.405 -13.331 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.386 9.480 -14.540 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.518 12.017 -12.802 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.085 11.526 -13.735 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.949 11.819 -11.985 1.00 0.00 H new ATOM 1861 N GLY A 116 1.990 7.887 -10.769 1.00 0.00 N ATOM 1862 CA GLY A 116 0.751 7.152 -10.901 1.00 0.00 C ATOM 1863 C GLY A 116 -0.429 7.890 -10.302 1.00 0.00 C ATOM 1864 O GLY A 116 -1.556 7.760 -10.781 1.00 0.00 O ATOM 0 H GLY A 116 2.570 7.612 -9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.557 6.960 -11.956 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.854 6.182 -10.414 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.174 8.670 -9.258 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.239 9.396 -8.573 1.00 0.00 C ATOM 1870 C VAL A 117 -1.632 10.655 -9.348 1.00 0.00 C ATOM 1871 O VAL A 117 -2.789 11.086 -9.312 1.00 0.00 O ATOM 1872 CB VAL A 117 -0.829 9.771 -7.128 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.938 10.540 -6.422 1.00 0.00 C ATOM 1874 CG2 VAL A 117 -0.475 8.522 -6.339 1.00 0.00 C ATOM 0 H VAL A 117 0.757 8.816 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.102 8.732 -8.523 1.00 0.00 H new ATOM 0 HB VAL A 117 0.048 10.416 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.620 10.789 -5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.152 11.457 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.837 9.925 -6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.189 8.801 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.339 7.858 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.357 8.010 -6.823 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.677 11.241 -10.055 1.00 0.00 N ATOM 1885 CA GLU A 118 -0.937 12.439 -10.830 1.00 0.00 C ATOM 1886 C GLU A 118 -1.115 12.110 -12.311 1.00 0.00 C ATOM 1887 O GLU A 118 -0.192 11.628 -12.966 1.00 0.00 O ATOM 1888 CB GLU A 118 0.185 13.457 -10.625 1.00 0.00 C ATOM 1889 CG GLU A 118 1.577 12.873 -10.749 1.00 0.00 C ATOM 1890 CD GLU A 118 2.652 13.830 -10.280 1.00 0.00 C ATOM 1891 OE1 GLU A 118 2.842 13.962 -9.050 1.00 0.00 O ATOM 1892 OE2 GLU A 118 3.318 14.456 -11.135 1.00 0.00 O ATOM 0 H GLU A 118 0.284 10.904 -10.106 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.870 12.879 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 118 0.072 14.259 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 118 0.078 13.907 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.635 11.953 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 118 1.763 12.604 -11.789 1.00 0.00 H new