USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=26 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= -0.109 K(o=-0.11,f=-3.9!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 MET CE :methyl -163:sc= -0.618 (180deg=-1.96) USER MOD Set 2.2: A 86 THR OG1 : rot 78:sc= -0.667 USER MOD Single : A 12 SER OG : rot 180:sc= -0.654 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0622) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.975 (180deg=0.962) USER MOD Single : A 31 CYS SG : rot 180:sc= -1.99! USER MOD Single : A 33 THR OG1 : rot 80:sc= -0.866 USER MOD Single : A 34 THR OG1 : rot -51:sc= 0.177 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -171:sc= 0.957 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.155 (180deg=0.14) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.0514 (180deg=-0.32) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.011) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.993 K(o=-0.99,f=-0.13) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 1.27 (180deg=1.18) USER MOD Single : A 65 MET CE :methyl 178:sc= -1.09 (180deg=-1.17) USER MOD Single : A 69 LYS NZ :NH3+ 159:sc= -0.061 (180deg=-0.436) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0301) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 169:sc= 0.619 USER MOD Single : A 98 TYR OH : rot 150:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -158:sc= -0.14 (180deg=-0.605) USER MOD Single : A 112 LYS NZ :NH3+ -126:sc= -0.194 (180deg=-1.29) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 5 13.062 0.394 8.503 1.00 0.00 N ATOM 51 CA GLY A 5 12.027 -0.322 7.793 1.00 0.00 C ATOM 52 C GLY A 5 10.660 -0.005 8.362 1.00 0.00 C ATOM 53 O GLY A 5 10.276 -0.542 9.403 1.00 0.00 O ATOM 0 HA2 GLY A 5 12.056 -0.056 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.212 -1.394 7.857 1.00 0.00 H new ATOM 57 N ILE A 6 9.932 0.881 7.690 1.00 0.00 N ATOM 58 CA ILE A 6 8.621 1.319 8.154 1.00 0.00 C ATOM 59 C ILE A 6 7.650 0.156 8.295 1.00 0.00 C ATOM 60 O ILE A 6 7.726 -0.825 7.560 1.00 0.00 O ATOM 61 CB ILE A 6 8.031 2.402 7.232 1.00 0.00 C ATOM 62 CG1 ILE A 6 8.172 2.005 5.759 1.00 0.00 C ATOM 63 CG2 ILE A 6 8.716 3.731 7.505 1.00 0.00 C ATOM 64 CD1 ILE A 6 7.587 3.018 4.796 1.00 0.00 C ATOM 0 H ILE A 6 10.231 1.312 6.816 1.00 0.00 H new ATOM 0 HA ILE A 6 8.768 1.753 9.143 1.00 0.00 H new ATOM 0 HB ILE A 6 6.966 2.503 7.442 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.228 1.866 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.683 1.044 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.298 4.497 6.852 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.557 4.015 8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.785 3.635 7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.724 2.669 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.523 3.140 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.093 3.975 4.923 1.00 0.00 H new ATOM 76 N ALA A 7 6.747 0.269 9.253 1.00 0.00 N ATOM 77 CA ALA A 7 5.895 -0.848 9.636 1.00 0.00 C ATOM 78 C ALA A 7 4.479 -0.697 9.094 1.00 0.00 C ATOM 79 O ALA A 7 3.817 0.316 9.337 1.00 0.00 O ATOM 80 CB ALA A 7 5.868 -0.989 11.150 1.00 0.00 C ATOM 0 H ALA A 7 6.583 1.125 9.783 1.00 0.00 H new ATOM 0 HA ALA A 7 6.318 -1.751 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.228 -1.827 11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.879 -1.168 11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.478 -0.073 11.594 1.00 0.00 H new ATOM 86 N PHE A 8 4.033 -1.692 8.334 1.00 0.00 N ATOM 87 CA PHE A 8 2.650 -1.751 7.888 1.00 0.00 C ATOM 88 C PHE A 8 1.733 -1.989 9.082 1.00 0.00 C ATOM 89 O PHE A 8 1.649 -3.108 9.591 1.00 0.00 O ATOM 90 CB PHE A 8 2.449 -2.886 6.883 1.00 0.00 C ATOM 91 CG PHE A 8 3.213 -2.741 5.601 1.00 0.00 C ATOM 92 CD1 PHE A 8 2.796 -1.851 4.627 1.00 0.00 C ATOM 93 CD2 PHE A 8 4.343 -3.507 5.367 1.00 0.00 C ATOM 94 CE1 PHE A 8 3.492 -1.728 3.441 1.00 0.00 C ATOM 95 CE2 PHE A 8 5.041 -3.390 4.182 1.00 0.00 C ATOM 96 CZ PHE A 8 4.615 -2.498 3.219 1.00 0.00 C ATOM 0 H PHE A 8 4.612 -2.469 8.015 1.00 0.00 H new ATOM 0 HA PHE A 8 2.409 -0.802 7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.737 -3.825 7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.387 -2.960 6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.917 -1.246 4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.682 -4.203 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.158 -1.030 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 8 5.919 -3.995 4.009 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.161 -2.403 2.292 1.00 0.00 H new ATOM 106 N ARG A 9 1.059 -0.946 9.537 1.00 0.00 N ATOM 107 CA ARG A 9 0.169 -1.076 10.678 1.00 0.00 C ATOM 108 C ARG A 9 -1.185 -1.612 10.223 1.00 0.00 C ATOM 109 O ARG A 9 -1.670 -1.272 9.141 1.00 0.00 O ATOM 110 CB ARG A 9 0.048 0.254 11.431 1.00 0.00 C ATOM 111 CG ARG A 9 -0.527 1.400 10.617 1.00 0.00 C ATOM 112 CD ARG A 9 -0.293 2.738 11.305 1.00 0.00 C ATOM 113 NE ARG A 9 -0.615 2.689 12.731 1.00 0.00 N ATOM 114 CZ ARG A 9 -0.404 3.691 13.585 1.00 0.00 C ATOM 115 NH1 ARG A 9 0.093 4.850 13.166 1.00 0.00 N ATOM 116 NH2 ARG A 9 -0.684 3.525 14.867 1.00 0.00 N ATOM 0 H ARG A 9 1.110 -0.009 9.138 1.00 0.00 H new ATOM 0 HA ARG A 9 0.589 -1.795 11.381 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.579 0.102 12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.036 0.543 11.790 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.069 1.412 9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.596 1.245 10.472 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.749 3.032 11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.901 3.504 10.823 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.028 1.831 13.096 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.318 4.982 12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.249 5.608 13.830 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.059 2.635 15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.525 4.287 15.526 1.00 0.00 H new ATOM 130 N GLU A 10 -1.770 -2.475 11.040 1.00 0.00 N ATOM 131 CA GLU A 10 -2.949 -3.232 10.643 1.00 0.00 C ATOM 132 C GLU A 10 -4.214 -2.722 11.323 1.00 0.00 C ATOM 133 O GLU A 10 -4.307 -2.688 12.552 1.00 0.00 O ATOM 134 CB GLU A 10 -2.735 -4.707 10.966 1.00 0.00 C ATOM 135 CG GLU A 10 -1.640 -5.344 10.128 1.00 0.00 C ATOM 136 CD GLU A 10 -1.129 -6.646 10.703 1.00 0.00 C ATOM 137 OE1 GLU A 10 -1.928 -7.596 10.855 1.00 0.00 O ATOM 138 OE2 GLU A 10 0.083 -6.727 10.999 1.00 0.00 O ATOM 0 H GLU A 10 -1.446 -2.670 11.987 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.087 -3.102 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.483 -4.810 12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.668 -5.247 10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.019 -5.523 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.809 -4.645 10.036 1.00 0.00 H new ATOM 145 N LEU A 11 -5.171 -2.317 10.505 1.00 0.00 N ATOM 146 CA LEU A 11 -6.475 -1.892 10.961 1.00 0.00 C ATOM 147 C LEU A 11 -7.531 -2.471 10.030 1.00 0.00 C ATOM 148 O LEU A 11 -7.212 -2.872 8.912 1.00 0.00 O ATOM 149 CB LEU A 11 -6.564 -0.366 10.954 1.00 0.00 C ATOM 150 CG LEU A 11 -5.846 0.345 12.103 1.00 0.00 C ATOM 151 CD1 LEU A 11 -5.923 1.856 11.928 1.00 0.00 C ATOM 152 CD2 LEU A 11 -6.443 -0.073 13.442 1.00 0.00 C ATOM 0 H LEU A 11 -5.058 -2.275 9.492 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.639 -2.246 11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.154 -0.001 10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.616 -0.081 10.976 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.796 0.053 12.089 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.407 2.345 12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.450 2.138 10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.967 2.168 11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.922 0.441 14.249 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.500 0.191 13.467 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.335 -1.150 13.568 1.00 0.00 H new ATOM 164 N SER A 12 -8.775 -2.523 10.480 1.00 0.00 N ATOM 165 CA SER A 12 -9.854 -3.006 9.634 1.00 0.00 C ATOM 166 C SER A 12 -10.243 -1.933 8.614 1.00 0.00 C ATOM 167 O SER A 12 -9.869 -0.765 8.758 1.00 0.00 O ATOM 168 CB SER A 12 -11.066 -3.406 10.479 1.00 0.00 C ATOM 169 OG SER A 12 -12.054 -4.042 9.687 1.00 0.00 O ATOM 0 H SER A 12 -9.061 -2.240 11.417 1.00 0.00 H new ATOM 0 HA SER A 12 -9.506 -3.890 9.099 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.750 -4.076 11.279 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.490 -2.521 10.953 1.00 0.00 H new ATOM 0 HG SER A 12 -12.816 -4.289 10.251 1.00 0.00 H new ATOM 175 N PHE A 13 -11.002 -2.333 7.598 1.00 0.00 N ATOM 176 CA PHE A 13 -11.396 -1.430 6.517 1.00 0.00 C ATOM 177 C PHE A 13 -12.097 -0.167 7.046 1.00 0.00 C ATOM 178 O PHE A 13 -11.684 0.940 6.708 1.00 0.00 O ATOM 179 CB PHE A 13 -12.285 -2.162 5.505 1.00 0.00 C ATOM 180 CG PHE A 13 -12.631 -1.337 4.296 1.00 0.00 C ATOM 181 CD1 PHE A 13 -11.727 -1.196 3.256 1.00 0.00 C ATOM 182 CD2 PHE A 13 -13.862 -0.707 4.200 1.00 0.00 C ATOM 183 CE1 PHE A 13 -12.044 -0.444 2.142 1.00 0.00 C ATOM 184 CE2 PHE A 13 -14.183 0.047 3.089 1.00 0.00 C ATOM 185 CZ PHE A 13 -13.274 0.178 2.059 1.00 0.00 C ATOM 0 H PHE A 13 -11.360 -3.283 7.499 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.485 -1.104 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.779 -3.071 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -13.206 -2.470 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.763 -1.680 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -14.577 -0.807 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.331 -0.343 1.337 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -15.145 0.534 3.026 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.524 0.767 1.189 1.00 0.00 H new ATOM 195 N PRO A 14 -13.161 -0.299 7.881 1.00 0.00 N ATOM 196 CA PRO A 14 -13.860 0.863 8.451 1.00 0.00 C ATOM 197 C PRO A 14 -12.923 1.805 9.206 1.00 0.00 C ATOM 198 O PRO A 14 -13.109 3.024 9.196 1.00 0.00 O ATOM 199 CB PRO A 14 -14.887 0.246 9.414 1.00 0.00 C ATOM 200 CG PRO A 14 -14.464 -1.174 9.593 1.00 0.00 C ATOM 201 CD PRO A 14 -13.781 -1.562 8.317 1.00 0.00 C ATOM 0 HA PRO A 14 -14.308 1.476 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.898 0.775 10.367 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -15.895 0.306 9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.790 -1.277 10.444 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.323 -1.816 9.787 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.038 -2.343 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.488 -1.941 7.579 1.00 0.00 H new ATOM 209 N GLU A 15 -11.915 1.239 9.855 1.00 0.00 N ATOM 210 CA GLU A 15 -10.942 2.030 10.588 1.00 0.00 C ATOM 211 C GLU A 15 -10.054 2.812 9.637 1.00 0.00 C ATOM 212 O GLU A 15 -9.940 4.030 9.749 1.00 0.00 O ATOM 213 CB GLU A 15 -10.084 1.135 11.474 1.00 0.00 C ATOM 214 CG GLU A 15 -10.805 0.642 12.713 1.00 0.00 C ATOM 215 CD GLU A 15 -11.308 1.781 13.572 1.00 0.00 C ATOM 216 OE1 GLU A 15 -10.550 2.256 14.443 1.00 0.00 O ATOM 217 OE2 GLU A 15 -12.462 2.212 13.376 1.00 0.00 O ATOM 0 H GLU A 15 -11.751 0.233 9.888 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.488 2.734 11.216 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.748 0.276 10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.192 1.684 11.776 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.645 0.014 12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.131 0.017 13.299 1.00 0.00 H new ATOM 224 N ALA A 16 -9.443 2.106 8.694 1.00 0.00 N ATOM 225 CA ALA A 16 -8.525 2.722 7.747 1.00 0.00 C ATOM 226 C ALA A 16 -9.235 3.769 6.897 1.00 0.00 C ATOM 227 O ALA A 16 -8.674 4.825 6.599 1.00 0.00 O ATOM 228 CB ALA A 16 -7.894 1.660 6.863 1.00 0.00 C ATOM 0 H ALA A 16 -9.568 1.102 8.565 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.739 3.224 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.209 2.133 6.159 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.345 0.950 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.674 1.134 6.313 1.00 0.00 H new ATOM 234 N LEU A 17 -10.475 3.464 6.526 1.00 0.00 N ATOM 235 CA LEU A 17 -11.299 4.371 5.735 1.00 0.00 C ATOM 236 C LEU A 17 -11.446 5.712 6.441 1.00 0.00 C ATOM 237 O LEU A 17 -11.154 6.765 5.873 1.00 0.00 O ATOM 238 CB LEU A 17 -12.681 3.753 5.513 1.00 0.00 C ATOM 239 CG LEU A 17 -13.570 4.476 4.498 1.00 0.00 C ATOM 240 CD1 LEU A 17 -12.962 4.398 3.104 1.00 0.00 C ATOM 241 CD2 LEU A 17 -14.970 3.880 4.506 1.00 0.00 C ATOM 0 H LEU A 17 -10.935 2.585 6.764 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.813 4.533 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.550 2.722 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.203 3.720 6.469 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.639 5.526 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.608 4.917 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.978 4.867 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.864 3.354 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -15.592 4.403 3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.917 2.823 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.405 3.986 5.500 1.00 0.00 H new ATOM 253 N LYS A 18 -11.894 5.660 7.688 1.00 0.00 N ATOM 254 CA LYS A 18 -12.064 6.865 8.488 1.00 0.00 C ATOM 255 C LYS A 18 -10.717 7.535 8.752 1.00 0.00 C ATOM 256 O LYS A 18 -10.597 8.757 8.682 1.00 0.00 O ATOM 257 CB LYS A 18 -12.752 6.541 9.818 1.00 0.00 C ATOM 258 CG LYS A 18 -12.898 7.752 10.721 1.00 0.00 C ATOM 259 CD LYS A 18 -13.520 7.393 12.059 1.00 0.00 C ATOM 260 CE LYS A 18 -13.597 8.604 12.972 1.00 0.00 C ATOM 261 NZ LYS A 18 -14.539 9.636 12.462 1.00 0.00 N ATOM 0 H LYS A 18 -12.146 4.796 8.168 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.694 7.553 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.739 6.123 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.180 5.773 10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.919 8.202 10.886 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.514 8.502 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.520 6.989 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.932 6.610 12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.912 8.287 13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.604 9.041 13.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.662 10.379 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.156 10.056 11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.459 9.196 12.258 1.00 0.00 H new ATOM 275 N ARG A 19 -9.713 6.724 9.043 1.00 0.00 N ATOM 276 CA ARG A 19 -8.381 7.202 9.351 1.00 0.00 C ATOM 277 C ARG A 19 -7.806 8.043 8.213 1.00 0.00 C ATOM 278 O ARG A 19 -7.255 9.123 8.445 1.00 0.00 O ATOM 279 CB ARG A 19 -7.499 5.996 9.628 1.00 0.00 C ATOM 280 CG ARG A 19 -6.496 6.227 10.726 1.00 0.00 C ATOM 281 CD ARG A 19 -5.225 6.867 10.201 1.00 0.00 C ATOM 282 NE ARG A 19 -4.282 7.171 11.274 1.00 0.00 N ATOM 283 CZ ARG A 19 -3.651 6.251 12.006 1.00 0.00 C ATOM 284 NH1 ARG A 19 -3.769 4.958 11.717 1.00 0.00 N ATOM 285 NH2 ARG A 19 -2.865 6.632 13.003 1.00 0.00 N ATOM 0 H ARG A 19 -9.803 5.708 9.072 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.423 7.849 10.227 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.130 5.148 9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.970 5.725 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.936 6.866 11.492 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.255 5.277 11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.752 6.198 9.482 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.475 7.784 9.667 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.093 8.152 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.346 4.662 10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.283 4.263 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.745 7.624 13.207 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.380 5.933 13.566 1.00 0.00 H new ATOM 299 N ALA A 20 -7.942 7.558 6.988 1.00 0.00 N ATOM 300 CA ALA A 20 -7.456 8.290 5.825 1.00 0.00 C ATOM 301 C ALA A 20 -8.314 9.523 5.565 1.00 0.00 C ATOM 302 O ALA A 20 -7.824 10.544 5.089 1.00 0.00 O ATOM 303 CB ALA A 20 -7.437 7.387 4.601 1.00 0.00 C ATOM 0 H ALA A 20 -8.383 6.664 6.772 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.438 8.621 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.072 7.948 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.780 6.537 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.446 7.028 4.398 1.00 0.00 H new ATOM 309 N GLU A 21 -9.591 9.420 5.908 1.00 0.00 N ATOM 310 CA GLU A 21 -10.547 10.497 5.690 1.00 0.00 C ATOM 311 C GLU A 21 -10.288 11.679 6.626 1.00 0.00 C ATOM 312 O GLU A 21 -10.280 12.832 6.194 1.00 0.00 O ATOM 313 CB GLU A 21 -11.969 9.967 5.898 1.00 0.00 C ATOM 314 CG GLU A 21 -13.057 11.011 5.713 1.00 0.00 C ATOM 315 CD GLU A 21 -14.436 10.460 6.008 1.00 0.00 C ATOM 316 OE1 GLU A 21 -14.803 10.381 7.200 1.00 0.00 O ATOM 317 OE2 GLU A 21 -15.158 10.106 5.051 1.00 0.00 O ATOM 0 H GLU A 21 -9.992 8.590 6.344 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.430 10.854 4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.145 9.148 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.047 9.552 6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.859 11.859 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.029 11.385 4.690 1.00 0.00 H new ATOM 324 N VAL A 22 -10.075 11.387 7.904 1.00 0.00 N ATOM 325 CA VAL A 22 -9.942 12.433 8.913 1.00 0.00 C ATOM 326 C VAL A 22 -8.562 13.089 8.881 1.00 0.00 C ATOM 327 O VAL A 22 -8.425 14.270 9.196 1.00 0.00 O ATOM 328 CB VAL A 22 -10.227 11.899 10.337 1.00 0.00 C ATOM 329 CG1 VAL A 22 -11.641 11.345 10.420 1.00 0.00 C ATOM 330 CG2 VAL A 22 -9.213 10.842 10.750 1.00 0.00 C ATOM 0 H VAL A 22 -9.991 10.437 8.266 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.690 13.187 8.665 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.134 12.734 11.032 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.827 10.973 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.355 12.135 10.187 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.755 10.530 9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -9.444 10.489 11.755 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.256 10.005 10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.212 11.274 10.738 1.00 0.00 H new ATOM 340 N GLU A 23 -7.540 12.331 8.506 1.00 0.00 N ATOM 341 CA GLU A 23 -6.187 12.872 8.461 1.00 0.00 C ATOM 342 C GLU A 23 -5.884 13.447 7.084 1.00 0.00 C ATOM 343 O GLU A 23 -4.971 14.261 6.931 1.00 0.00 O ATOM 344 CB GLU A 23 -5.162 11.796 8.818 1.00 0.00 C ATOM 345 CG GLU A 23 -5.343 11.225 10.214 1.00 0.00 C ATOM 346 CD GLU A 23 -4.250 10.250 10.591 1.00 0.00 C ATOM 347 OE1 GLU A 23 -3.494 9.812 9.697 1.00 0.00 O ATOM 348 OE2 GLU A 23 -4.143 9.910 11.790 1.00 0.00 O ATOM 0 H GLU A 23 -7.619 11.352 8.232 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.120 13.674 9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.229 10.986 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.160 12.218 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.362 12.041 10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.309 10.723 10.275 1.00 0.00 H new ATOM 355 N ASP A 24 -6.678 13.033 6.101 1.00 0.00 N ATOM 356 CA ASP A 24 -6.468 13.406 4.705 1.00 0.00 C ATOM 357 C ASP A 24 -5.062 13.027 4.256 1.00 0.00 C ATOM 358 O ASP A 24 -4.154 13.860 4.194 1.00 0.00 O ATOM 359 CB ASP A 24 -6.727 14.896 4.468 1.00 0.00 C ATOM 360 CG ASP A 24 -6.508 15.297 3.020 1.00 0.00 C ATOM 361 OD1 ASP A 24 -7.342 14.935 2.161 1.00 0.00 O ATOM 362 OD2 ASP A 24 -5.499 15.977 2.737 1.00 0.00 O ATOM 0 H ASP A 24 -7.486 12.429 6.250 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.189 12.851 4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.750 15.135 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.069 15.483 5.109 1.00 0.00 H new ATOM 367 N LYS A 25 -4.881 11.747 3.999 1.00 0.00 N ATOM 368 CA LYS A 25 -3.615 11.224 3.515 1.00 0.00 C ATOM 369 C LYS A 25 -3.877 10.129 2.502 1.00 0.00 C ATOM 370 O LYS A 25 -4.909 9.460 2.560 1.00 0.00 O ATOM 371 CB LYS A 25 -2.762 10.670 4.663 1.00 0.00 C ATOM 372 CG LYS A 25 -2.273 11.723 5.647 1.00 0.00 C ATOM 373 CD LYS A 25 -1.287 11.132 6.642 1.00 0.00 C ATOM 374 CE LYS A 25 -0.777 12.179 7.619 1.00 0.00 C ATOM 375 NZ LYS A 25 0.274 11.625 8.515 1.00 0.00 N ATOM 0 H LYS A 25 -5.605 11.039 4.119 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.064 12.041 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.344 9.925 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.899 10.155 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.799 12.540 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.123 12.147 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.767 10.323 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.445 10.695 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.375 13.028 7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.607 12.553 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.551 12.345 9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.097 10.789 9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.104 11.353 7.950 1.00 0.00 H new ATOM 389 N LEU A 26 -2.953 9.951 1.576 1.00 0.00 N ATOM 390 CA LEU A 26 -3.088 8.907 0.579 1.00 0.00 C ATOM 391 C LEU A 26 -2.841 7.550 1.213 1.00 0.00 C ATOM 392 O LEU A 26 -1.731 7.241 1.653 1.00 0.00 O ATOM 393 CB LEU A 26 -2.140 9.151 -0.593 1.00 0.00 C ATOM 394 CG LEU A 26 -2.467 10.391 -1.427 1.00 0.00 C ATOM 395 CD1 LEU A 26 -1.412 10.610 -2.500 1.00 0.00 C ATOM 396 CD2 LEU A 26 -3.845 10.257 -2.058 1.00 0.00 C ATOM 0 H LEU A 26 -2.106 10.513 1.494 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.105 8.923 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.124 9.245 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.155 8.277 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.469 11.258 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.663 11.497 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.438 10.748 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.377 9.742 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.063 11.147 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.866 9.379 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.595 10.148 -1.274 1.00 0.00 H new ATOM 408 N LEU A 27 -3.892 6.760 1.282 1.00 0.00 N ATOM 409 CA LEU A 27 -3.827 5.460 1.917 1.00 0.00 C ATOM 410 C LEU A 27 -3.099 4.466 1.023 1.00 0.00 C ATOM 411 O LEU A 27 -3.420 4.328 -0.160 1.00 0.00 O ATOM 412 CB LEU A 27 -5.239 4.961 2.235 1.00 0.00 C ATOM 413 CG LEU A 27 -5.316 3.621 2.973 1.00 0.00 C ATOM 414 CD1 LEU A 27 -4.604 3.704 4.314 1.00 0.00 C ATOM 415 CD2 LEU A 27 -6.769 3.205 3.163 1.00 0.00 C ATOM 0 H LEU A 27 -4.809 6.998 0.903 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.270 5.553 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.745 5.716 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.793 4.873 1.301 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.815 2.865 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.671 2.742 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.556 3.958 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.074 4.472 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.809 2.251 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.291 3.963 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.248 3.103 2.189 1.00 0.00 H new ATOM 427 N PHE A 28 -2.108 3.797 1.587 1.00 0.00 N ATOM 428 CA PHE A 28 -1.379 2.760 0.881 1.00 0.00 C ATOM 429 C PHE A 28 -1.650 1.414 1.532 1.00 0.00 C ATOM 430 O PHE A 28 -1.135 1.120 2.613 1.00 0.00 O ATOM 431 CB PHE A 28 0.125 3.060 0.874 1.00 0.00 C ATOM 432 CG PHE A 28 0.967 1.932 0.346 1.00 0.00 C ATOM 433 CD1 PHE A 28 0.802 1.470 -0.948 1.00 0.00 C ATOM 434 CD2 PHE A 28 1.918 1.326 1.154 1.00 0.00 C ATOM 435 CE1 PHE A 28 1.570 0.427 -1.428 1.00 0.00 C ATOM 436 CE2 PHE A 28 2.688 0.282 0.678 1.00 0.00 C ATOM 437 CZ PHE A 28 2.513 -0.168 -0.615 1.00 0.00 C ATOM 0 H PHE A 28 -1.788 3.957 2.542 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.720 2.732 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 28 0.306 3.949 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.444 3.294 1.890 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.065 1.930 -1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.058 1.674 2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.432 0.077 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.426 -0.181 1.317 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.113 -0.984 -0.990 1.00 0.00 H new ATOM 447 N VAL A 29 -2.477 0.609 0.891 1.00 0.00 N ATOM 448 CA VAL A 29 -2.821 -0.693 1.426 1.00 0.00 C ATOM 449 C VAL A 29 -1.986 -1.775 0.765 1.00 0.00 C ATOM 450 O VAL A 29 -2.056 -1.969 -0.452 1.00 0.00 O ATOM 451 CB VAL A 29 -4.318 -1.023 1.236 1.00 0.00 C ATOM 452 CG1 VAL A 29 -4.654 -2.374 1.851 1.00 0.00 C ATOM 453 CG2 VAL A 29 -5.191 0.068 1.833 1.00 0.00 C ATOM 0 H VAL A 29 -2.922 0.834 0.001 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.612 -0.661 2.495 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.520 -1.074 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.713 -2.587 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.059 -3.151 1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.431 -2.354 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.241 -0.186 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.984 0.157 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.975 1.016 1.341 1.00 0.00 H new ATOM 463 N ASP A 30 -1.186 -2.456 1.566 1.00 0.00 N ATOM 464 CA ASP A 30 -0.428 -3.601 1.096 1.00 0.00 C ATOM 465 C ASP A 30 -1.333 -4.814 1.047 1.00 0.00 C ATOM 466 O ASP A 30 -1.637 -5.425 2.074 1.00 0.00 O ATOM 467 CB ASP A 30 0.776 -3.875 2.004 1.00 0.00 C ATOM 468 CG ASP A 30 1.539 -5.132 1.611 1.00 0.00 C ATOM 469 OD1 ASP A 30 2.030 -5.196 0.465 1.00 0.00 O ATOM 470 OD2 ASP A 30 1.667 -6.047 2.456 1.00 0.00 O ATOM 0 H ASP A 30 -1.044 -2.234 2.551 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.050 -3.385 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.452 -3.020 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.434 -3.971 3.034 1.00 0.00 H new ATOM 475 N CYS A 31 -1.825 -5.116 -0.140 1.00 0.00 N ATOM 476 CA CYS A 31 -2.611 -6.310 -0.340 1.00 0.00 C ATOM 477 C CYS A 31 -1.715 -7.400 -0.889 1.00 0.00 C ATOM 478 O CYS A 31 -1.251 -7.331 -2.028 1.00 0.00 O ATOM 479 CB CYS A 31 -3.774 -6.032 -1.288 1.00 0.00 C ATOM 480 SG CYS A 31 -5.017 -4.910 -0.608 1.00 0.00 S ATOM 0 H CYS A 31 -1.692 -4.549 -0.977 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.032 -6.636 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.383 -5.609 -2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.253 -6.976 -1.547 1.00 0.00 H new ATOM 0 HG CYS A 31 -5.963 -4.730 -1.481 1.00 0.00 H new ATOM 486 N PHE A 32 -1.485 -8.406 -0.079 1.00 0.00 N ATOM 487 CA PHE A 32 -0.526 -9.434 -0.409 1.00 0.00 C ATOM 488 C PHE A 32 -1.187 -10.798 -0.463 1.00 0.00 C ATOM 489 O PHE A 32 -2.281 -11.003 0.074 1.00 0.00 O ATOM 490 CB PHE A 32 0.597 -9.447 0.636 1.00 0.00 C ATOM 491 CG PHE A 32 0.100 -9.674 2.037 1.00 0.00 C ATOM 492 CD1 PHE A 32 -0.316 -8.609 2.820 1.00 0.00 C ATOM 493 CD2 PHE A 32 0.035 -10.953 2.567 1.00 0.00 C ATOM 494 CE1 PHE A 32 -0.783 -8.814 4.102 1.00 0.00 C ATOM 495 CE2 PHE A 32 -0.433 -11.163 3.848 1.00 0.00 C ATOM 496 CZ PHE A 32 -0.843 -10.093 4.617 1.00 0.00 C ATOM 0 H PHE A 32 -1.952 -8.535 0.819 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.112 -9.213 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.313 -10.228 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.132 -8.498 0.597 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.274 -7.606 2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.354 -11.795 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.101 -7.974 4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.478 -12.165 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.210 -10.256 5.620 1.00 0.00 H new ATOM 506 N THR A 33 -0.529 -11.718 -1.135 1.00 0.00 N ATOM 507 CA THR A 33 -0.891 -13.112 -1.059 1.00 0.00 C ATOM 508 C THR A 33 0.069 -13.813 -0.106 1.00 0.00 C ATOM 509 O THR A 33 1.232 -13.415 0.005 1.00 0.00 O ATOM 510 CB THR A 33 -0.847 -13.774 -2.446 1.00 0.00 C ATOM 511 OG1 THR A 33 0.370 -13.425 -3.111 1.00 0.00 O ATOM 512 CG2 THR A 33 -2.037 -13.344 -3.291 1.00 0.00 C ATOM 0 H THR A 33 0.265 -11.521 -1.744 1.00 0.00 H new ATOM 0 HA THR A 33 -1.913 -13.197 -0.689 1.00 0.00 H new ATOM 0 HB THR A 33 -0.892 -14.855 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.099 -13.986 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.983 -13.826 -4.267 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.961 -13.636 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.020 -12.262 -3.419 1.00 0.00 H new ATOM 520 N THR A 34 -0.404 -14.838 0.587 1.00 0.00 N ATOM 521 CA THR A 34 0.405 -15.492 1.608 1.00 0.00 C ATOM 522 C THR A 34 1.463 -16.416 0.983 1.00 0.00 C ATOM 523 O THR A 34 2.112 -17.198 1.682 1.00 0.00 O ATOM 524 CB THR A 34 -0.480 -16.275 2.609 1.00 0.00 C ATOM 525 OG1 THR A 34 0.252 -16.544 3.814 1.00 0.00 O ATOM 526 CG2 THR A 34 -0.974 -17.582 2.008 1.00 0.00 C ATOM 0 H THR A 34 -1.336 -15.233 0.464 1.00 0.00 H new ATOM 0 HA THR A 34 0.927 -14.708 2.157 1.00 0.00 H new ATOM 0 HB THR A 34 -1.346 -15.655 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.113 -16.955 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.592 -18.107 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.564 -17.372 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.121 -18.205 1.740 1.00 0.00 H new ATOM 534 N TRP A 35 1.636 -16.307 -0.335 1.00 0.00 N ATOM 535 CA TRP A 35 2.689 -17.013 -1.048 1.00 0.00 C ATOM 536 C TRP A 35 4.051 -16.486 -0.609 1.00 0.00 C ATOM 537 O TRP A 35 4.618 -15.593 -1.250 1.00 0.00 O ATOM 538 CB TRP A 35 2.528 -16.828 -2.561 1.00 0.00 C ATOM 539 CG TRP A 35 1.438 -17.653 -3.185 1.00 0.00 C ATOM 540 CD1 TRP A 35 1.594 -18.543 -4.200 1.00 0.00 C ATOM 541 CD2 TRP A 35 0.040 -17.666 -2.854 1.00 0.00 C ATOM 542 NE1 TRP A 35 0.386 -19.102 -4.533 1.00 0.00 N ATOM 543 CE2 TRP A 35 -0.584 -18.580 -3.724 1.00 0.00 C ATOM 544 CE3 TRP A 35 -0.746 -16.994 -1.918 1.00 0.00 C ATOM 545 CZ2 TRP A 35 -1.949 -18.838 -3.680 1.00 0.00 C ATOM 546 CZ3 TRP A 35 -2.103 -17.250 -1.876 1.00 0.00 C ATOM 547 CH2 TRP A 35 -2.692 -18.167 -2.752 1.00 0.00 C ATOM 0 H TRP A 35 1.048 -15.726 -0.933 1.00 0.00 H new ATOM 0 HA TRP A 35 2.617 -18.075 -0.815 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.330 -15.776 -2.765 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.473 -17.074 -3.045 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.535 -18.777 -4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 35 0.236 -19.795 -5.266 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.301 -16.284 -1.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.406 -19.545 -4.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.719 -16.733 -1.155 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.755 -18.348 -2.693 1.00 0.00 H new ATOM 558 N CYS A 36 4.532 -17.016 0.512 1.00 0.00 N ATOM 559 CA CYS A 36 5.780 -16.590 1.144 1.00 0.00 C ATOM 560 C CYS A 36 5.646 -15.197 1.771 1.00 0.00 C ATOM 561 O CYS A 36 5.942 -15.003 2.952 1.00 0.00 O ATOM 562 CB CYS A 36 6.948 -16.622 0.149 1.00 0.00 C ATOM 563 SG CYS A 36 7.225 -18.240 -0.610 1.00 0.00 S ATOM 0 H CYS A 36 4.059 -17.766 1.016 1.00 0.00 H new ATOM 0 HA CYS A 36 5.994 -17.300 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.762 -15.891 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.858 -16.313 0.663 1.00 0.00 H new ATOM 0 HG CYS A 36 8.227 -18.167 -1.434 1.00 0.00 H new ATOM 569 N GLY A 37 5.186 -14.240 0.983 1.00 0.00 N ATOM 570 CA GLY A 37 5.061 -12.877 1.455 1.00 0.00 C ATOM 571 C GLY A 37 6.000 -11.950 0.720 1.00 0.00 C ATOM 572 O GLY A 37 7.089 -11.652 1.211 1.00 0.00 O ATOM 0 H GLY A 37 4.894 -14.384 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.034 -12.537 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.273 -12.840 2.524 1.00 0.00 H new ATOM 576 N PRO A 38 5.604 -11.481 -0.473 1.00 0.00 N ATOM 577 CA PRO A 38 6.454 -10.633 -1.316 1.00 0.00 C ATOM 578 C PRO A 38 6.879 -9.352 -0.610 1.00 0.00 C ATOM 579 O PRO A 38 8.021 -8.907 -0.746 1.00 0.00 O ATOM 580 CB PRO A 38 5.564 -10.313 -2.520 1.00 0.00 C ATOM 581 CG PRO A 38 4.537 -11.388 -2.533 1.00 0.00 C ATOM 582 CD PRO A 38 4.296 -11.738 -1.095 1.00 0.00 C ATOM 0 HA PRO A 38 7.386 -11.132 -1.582 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.105 -9.329 -2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.139 -10.305 -3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.619 -11.047 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.885 -12.255 -3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.511 -11.123 -0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.990 -12.777 -0.978 1.00 0.00 H new ATOM 590 N CYS A 39 5.965 -8.773 0.161 1.00 0.00 N ATOM 591 CA CYS A 39 6.236 -7.523 0.855 1.00 0.00 C ATOM 592 C CYS A 39 7.290 -7.701 1.951 1.00 0.00 C ATOM 593 O CYS A 39 7.923 -6.733 2.368 1.00 0.00 O ATOM 594 CB CYS A 39 4.941 -6.943 1.429 1.00 0.00 C ATOM 595 SG CYS A 39 3.915 -8.123 2.333 1.00 0.00 S ATOM 0 H CYS A 39 5.031 -9.150 0.320 1.00 0.00 H new ATOM 0 HA CYS A 39 6.642 -6.818 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.193 -6.118 2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.354 -6.524 0.612 1.00 0.00 H new ATOM 0 HG CYS A 39 2.766 -7.580 2.605 1.00 0.00 H new ATOM 601 N LYS A 40 7.495 -8.939 2.401 1.00 0.00 N ATOM 602 CA LYS A 40 8.535 -9.227 3.387 1.00 0.00 C ATOM 603 C LYS A 40 9.914 -8.956 2.791 1.00 0.00 C ATOM 604 O LYS A 40 10.709 -8.197 3.351 1.00 0.00 O ATOM 605 CB LYS A 40 8.469 -10.685 3.862 1.00 0.00 C ATOM 606 CG LYS A 40 7.217 -11.053 4.649 1.00 0.00 C ATOM 607 CD LYS A 40 7.325 -12.475 5.186 1.00 0.00 C ATOM 608 CE LYS A 40 6.126 -12.874 6.038 1.00 0.00 C ATOM 609 NZ LYS A 40 4.885 -13.025 5.234 1.00 0.00 N ATOM 0 H LYS A 40 6.959 -9.753 2.101 1.00 0.00 H new ATOM 0 HA LYS A 40 8.366 -8.575 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.537 -11.338 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.342 -10.889 4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.081 -10.355 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.339 -10.965 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.419 -13.169 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.234 -12.567 5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.342 -13.813 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.966 -12.122 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.114 -13.362 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.624 -12.106 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.047 -13.712 4.471 1.00 0.00 H new ATOM 623 N ARG A 41 10.178 -9.576 1.646 1.00 0.00 N ATOM 624 CA ARG A 41 11.446 -9.401 0.946 1.00 0.00 C ATOM 625 C ARG A 41 11.613 -7.952 0.504 1.00 0.00 C ATOM 626 O ARG A 41 12.710 -7.393 0.559 1.00 0.00 O ATOM 627 CB ARG A 41 11.516 -10.347 -0.259 1.00 0.00 C ATOM 628 CG ARG A 41 12.747 -10.152 -1.136 1.00 0.00 C ATOM 629 CD ARG A 41 12.818 -11.212 -2.224 1.00 0.00 C ATOM 630 NE ARG A 41 13.860 -10.925 -3.211 1.00 0.00 N ATOM 631 CZ ARG A 41 14.775 -11.806 -3.615 1.00 0.00 C ATOM 632 NH1 ARG A 41 14.808 -13.025 -3.088 1.00 0.00 N ATOM 633 NH2 ARG A 41 15.658 -11.466 -4.549 1.00 0.00 N ATOM 0 H ARG A 41 9.527 -10.208 1.180 1.00 0.00 H new ATOM 0 HA ARG A 41 12.261 -9.645 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.499 -11.376 0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.623 -10.207 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.720 -9.162 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.646 -10.197 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.009 -12.184 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.853 -11.279 -2.726 1.00 0.00 H new ATOM 0 HE ARG A 41 13.888 -9.989 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.132 -13.289 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.510 -13.697 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.635 -10.531 -4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.358 -12.140 -4.858 1.00 0.00 H new ATOM 647 N LEU A 42 10.510 -7.342 0.078 1.00 0.00 N ATOM 648 CA LEU A 42 10.513 -5.940 -0.316 1.00 0.00 C ATOM 649 C LEU A 42 10.886 -5.049 0.862 1.00 0.00 C ATOM 650 O LEU A 42 11.736 -4.172 0.731 1.00 0.00 O ATOM 651 CB LEU A 42 9.144 -5.530 -0.865 1.00 0.00 C ATOM 652 CG LEU A 42 8.730 -6.223 -2.165 1.00 0.00 C ATOM 653 CD1 LEU A 42 7.319 -5.818 -2.554 1.00 0.00 C ATOM 654 CD2 LEU A 42 9.705 -5.889 -3.284 1.00 0.00 C ATOM 0 H LEU A 42 9.602 -7.800 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 42 11.259 -5.814 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.389 -5.736 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.144 -4.453 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 42 8.750 -7.301 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.039 -6.319 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.627 -6.105 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.277 -4.738 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.394 -6.391 -4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.717 -4.811 -3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.705 -6.225 -3.008 1.00 0.00 H new ATOM 666 N SER A 43 10.269 -5.304 2.015 1.00 0.00 N ATOM 667 CA SER A 43 10.466 -4.489 3.214 1.00 0.00 C ATOM 668 C SER A 43 11.950 -4.348 3.561 1.00 0.00 C ATOM 669 O SER A 43 12.390 -3.299 4.042 1.00 0.00 O ATOM 670 CB SER A 43 9.710 -5.120 4.391 1.00 0.00 C ATOM 671 OG SER A 43 9.761 -4.302 5.547 1.00 0.00 O ATOM 0 H SER A 43 9.620 -6.080 2.145 1.00 0.00 H new ATOM 0 HA SER A 43 10.076 -3.491 3.016 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.670 -5.286 4.108 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.139 -6.096 4.617 1.00 0.00 H new ATOM 0 HG SER A 43 9.268 -4.734 6.276 1.00 0.00 H new ATOM 677 N LYS A 44 12.712 -5.399 3.293 1.00 0.00 N ATOM 678 CA LYS A 44 14.132 -5.435 3.618 1.00 0.00 C ATOM 679 C LYS A 44 14.910 -4.407 2.792 1.00 0.00 C ATOM 680 O LYS A 44 15.858 -3.795 3.283 1.00 0.00 O ATOM 681 CB LYS A 44 14.667 -6.857 3.374 1.00 0.00 C ATOM 682 CG LYS A 44 16.068 -7.128 3.917 1.00 0.00 C ATOM 683 CD LYS A 44 17.158 -6.638 2.977 1.00 0.00 C ATOM 684 CE LYS A 44 18.535 -7.085 3.436 1.00 0.00 C ATOM 685 NZ LYS A 44 18.688 -8.564 3.389 1.00 0.00 N ATOM 0 H LYS A 44 12.366 -6.248 2.846 1.00 0.00 H new ATOM 0 HA LYS A 44 14.267 -5.175 4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.976 -7.570 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.668 -7.048 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.180 -6.640 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.190 -8.198 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.969 -7.015 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.128 -5.550 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.295 -6.622 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.709 -6.735 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.698 -8.809 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.212 -8.989 4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.261 -8.930 2.514 1.00 0.00 H new ATOM 699 N VAL A 45 14.496 -4.205 1.546 1.00 0.00 N ATOM 700 CA VAL A 45 15.257 -3.371 0.623 1.00 0.00 C ATOM 701 C VAL A 45 14.569 -2.035 0.329 1.00 0.00 C ATOM 702 O VAL A 45 15.202 -0.981 0.372 1.00 0.00 O ATOM 703 CB VAL A 45 15.511 -4.110 -0.709 1.00 0.00 C ATOM 704 CG1 VAL A 45 16.354 -3.262 -1.651 1.00 0.00 C ATOM 705 CG2 VAL A 45 16.179 -5.450 -0.454 1.00 0.00 C ATOM 0 H VAL A 45 13.643 -4.604 1.154 1.00 0.00 H new ATOM 0 HA VAL A 45 16.205 -3.162 1.118 1.00 0.00 H new ATOM 0 HB VAL A 45 14.548 -4.288 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 45 16.518 -3.806 -2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 45 15.834 -2.328 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 45 17.314 -3.044 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.351 -5.957 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.132 -5.291 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.534 -6.064 0.174 1.00 0.00 H new ATOM 715 N VAL A 46 13.273 -2.071 0.037 1.00 0.00 N ATOM 716 CA VAL A 46 12.576 -0.882 -0.452 1.00 0.00 C ATOM 717 C VAL A 46 12.266 0.109 0.668 1.00 0.00 C ATOM 718 O VAL A 46 12.075 1.297 0.417 1.00 0.00 O ATOM 719 CB VAL A 46 11.271 -1.236 -1.200 1.00 0.00 C ATOM 720 CG1 VAL A 46 11.552 -2.224 -2.324 1.00 0.00 C ATOM 721 CG2 VAL A 46 10.210 -1.778 -0.253 1.00 0.00 C ATOM 0 H VAL A 46 12.687 -2.901 0.128 1.00 0.00 H new ATOM 0 HA VAL A 46 13.263 -0.409 -1.154 1.00 0.00 H new ATOM 0 HB VAL A 46 10.878 -0.317 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.622 -2.462 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.256 -1.782 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.980 -3.136 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.307 -2.015 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.582 -2.680 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.979 -1.027 0.503 1.00 0.00 H new ATOM 731 N PHE A 47 12.231 -0.376 1.898 1.00 0.00 N ATOM 732 CA PHE A 47 11.931 0.477 3.045 1.00 0.00 C ATOM 733 C PHE A 47 13.137 0.606 3.969 1.00 0.00 C ATOM 734 O PHE A 47 12.995 0.907 5.154 1.00 0.00 O ATOM 735 CB PHE A 47 10.738 -0.083 3.822 1.00 0.00 C ATOM 736 CG PHE A 47 9.458 -0.103 3.035 1.00 0.00 C ATOM 737 CD1 PHE A 47 9.036 1.022 2.346 1.00 0.00 C ATOM 738 CD2 PHE A 47 8.677 -1.246 2.986 1.00 0.00 C ATOM 739 CE1 PHE A 47 7.860 1.007 1.621 1.00 0.00 C ATOM 740 CE2 PHE A 47 7.500 -1.266 2.263 1.00 0.00 C ATOM 741 CZ PHE A 47 7.090 -0.138 1.581 1.00 0.00 C ATOM 0 H PHE A 47 12.406 -1.353 2.132 1.00 0.00 H new ATOM 0 HA PHE A 47 11.683 1.469 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.971 -1.098 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.591 0.513 4.723 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.633 1.921 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.992 -2.131 3.519 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.543 1.890 1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.901 -2.164 2.231 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.169 -0.151 1.017 1.00 0.00 H new ATOM 751 N LYS A 48 14.323 0.412 3.417 1.00 0.00 N ATOM 752 CA LYS A 48 15.541 0.414 4.210 1.00 0.00 C ATOM 753 C LYS A 48 16.117 1.827 4.324 1.00 0.00 C ATOM 754 O LYS A 48 16.741 2.176 5.331 1.00 0.00 O ATOM 755 CB LYS A 48 16.566 -0.528 3.575 1.00 0.00 C ATOM 756 CG LYS A 48 17.674 -0.969 4.517 1.00 0.00 C ATOM 757 CD LYS A 48 17.121 -1.776 5.682 1.00 0.00 C ATOM 758 CE LYS A 48 18.235 -2.395 6.510 1.00 0.00 C ATOM 759 NZ LYS A 48 17.707 -3.194 7.644 1.00 0.00 N ATOM 0 H LYS A 48 14.469 0.251 2.420 1.00 0.00 H new ATOM 0 HA LYS A 48 15.305 0.066 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.048 -1.412 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.013 -0.033 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.402 -1.568 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.202 -0.094 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.511 -1.132 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.468 -2.562 5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.849 -3.031 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.883 -1.607 6.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.500 -3.598 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.142 -2.582 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.109 -3.963 7.279 1.00 0.00 H new ATOM 773 N ASP A 49 15.891 2.639 3.295 1.00 0.00 N ATOM 774 CA ASP A 49 16.432 3.998 3.247 1.00 0.00 C ATOM 775 C ASP A 49 15.709 4.908 4.233 1.00 0.00 C ATOM 776 O ASP A 49 14.480 4.897 4.314 1.00 0.00 O ATOM 777 CB ASP A 49 16.326 4.571 1.830 1.00 0.00 C ATOM 778 CG ASP A 49 16.958 5.943 1.710 1.00 0.00 C ATOM 779 OD1 ASP A 49 18.193 6.021 1.507 1.00 0.00 O ATOM 780 OD2 ASP A 49 16.232 6.953 1.816 1.00 0.00 O ATOM 0 H ASP A 49 15.335 2.380 2.480 1.00 0.00 H new ATOM 0 HA ASP A 49 17.484 3.949 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.808 3.890 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 49 15.276 4.632 1.544 1.00 0.00 H new ATOM 785 N SER A 50 16.482 5.700 4.966 1.00 0.00 N ATOM 786 CA SER A 50 15.948 6.550 6.023 1.00 0.00 C ATOM 787 C SER A 50 15.083 7.677 5.455 1.00 0.00 C ATOM 788 O SER A 50 14.014 7.982 5.997 1.00 0.00 O ATOM 789 CB SER A 50 17.100 7.130 6.851 1.00 0.00 C ATOM 790 OG SER A 50 16.619 7.928 7.920 1.00 0.00 O ATOM 0 H SER A 50 17.492 5.771 4.845 1.00 0.00 H new ATOM 0 HA SER A 50 15.312 5.938 6.663 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.710 6.318 7.247 1.00 0.00 H new ATOM 0 HB3 SER A 50 17.745 7.730 6.209 1.00 0.00 H new ATOM 0 HG SER A 50 17.377 8.282 8.430 1.00 0.00 H new ATOM 796 N LEU A 51 15.533 8.283 4.362 1.00 0.00 N ATOM 797 CA LEU A 51 14.824 9.410 3.771 1.00 0.00 C ATOM 798 C LEU A 51 13.502 8.960 3.165 1.00 0.00 C ATOM 799 O LEU A 51 12.453 9.550 3.432 1.00 0.00 O ATOM 800 CB LEU A 51 15.684 10.079 2.701 1.00 0.00 C ATOM 801 CG LEU A 51 17.046 10.586 3.178 1.00 0.00 C ATOM 802 CD1 LEU A 51 17.785 11.268 2.038 1.00 0.00 C ATOM 803 CD2 LEU A 51 16.889 11.534 4.359 1.00 0.00 C ATOM 0 H LEU A 51 16.384 8.013 3.869 1.00 0.00 H new ATOM 0 HA LEU A 51 14.617 10.131 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.843 9.368 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.128 10.919 2.284 1.00 0.00 H new ATOM 0 HG LEU A 51 17.633 9.730 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.752 11.624 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 51 17.935 10.557 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 51 17.198 12.113 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 51 17.871 11.881 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 51 16.282 12.389 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 51 16.402 11.012 5.182 1.00 0.00 H new ATOM 815 N VAL A 52 13.560 7.904 2.358 1.00 0.00 N ATOM 816 CA VAL A 52 12.368 7.354 1.722 1.00 0.00 C ATOM 817 C VAL A 52 11.355 6.906 2.771 1.00 0.00 C ATOM 818 O VAL A 52 10.172 7.219 2.669 1.00 0.00 O ATOM 819 CB VAL A 52 12.716 6.165 0.796 1.00 0.00 C ATOM 820 CG1 VAL A 52 11.458 5.574 0.172 1.00 0.00 C ATOM 821 CG2 VAL A 52 13.689 6.596 -0.289 1.00 0.00 C ATOM 0 H VAL A 52 14.423 7.411 2.129 1.00 0.00 H new ATOM 0 HA VAL A 52 11.931 8.147 1.115 1.00 0.00 H new ATOM 0 HB VAL A 52 13.191 5.395 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.730 4.740 -0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.793 5.221 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.950 6.338 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.921 5.745 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.239 7.388 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.606 6.965 0.170 1.00 0.00 H new ATOM 831 N ALA A 53 11.838 6.208 3.794 1.00 0.00 N ATOM 832 CA ALA A 53 10.974 5.647 4.829 1.00 0.00 C ATOM 833 C ALA A 53 10.138 6.724 5.515 1.00 0.00 C ATOM 834 O ALA A 53 8.916 6.598 5.621 1.00 0.00 O ATOM 835 CB ALA A 53 11.809 4.899 5.856 1.00 0.00 C ATOM 0 H ALA A 53 12.831 6.016 3.929 1.00 0.00 H new ATOM 0 HA ALA A 53 10.286 4.953 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.156 4.484 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.351 4.091 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.520 5.585 6.316 1.00 0.00 H new ATOM 841 N ASP A 54 10.798 7.784 5.965 1.00 0.00 N ATOM 842 CA ASP A 54 10.125 8.857 6.696 1.00 0.00 C ATOM 843 C ASP A 54 9.103 9.570 5.822 1.00 0.00 C ATOM 844 O ASP A 54 7.941 9.725 6.205 1.00 0.00 O ATOM 845 CB ASP A 54 11.152 9.862 7.216 1.00 0.00 C ATOM 846 CG ASP A 54 10.514 11.029 7.941 1.00 0.00 C ATOM 847 OD1 ASP A 54 10.025 10.839 9.073 1.00 0.00 O ATOM 848 OD2 ASP A 54 10.515 12.148 7.391 1.00 0.00 O ATOM 0 H ASP A 54 11.800 7.926 5.838 1.00 0.00 H new ATOM 0 HA ASP A 54 9.597 8.407 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.842 9.354 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.742 10.238 6.380 1.00 0.00 H new ATOM 853 N TYR A 55 9.541 9.981 4.642 1.00 0.00 N ATOM 854 CA TYR A 55 8.700 10.728 3.713 1.00 0.00 C ATOM 855 C TYR A 55 7.492 9.901 3.284 1.00 0.00 C ATOM 856 O TYR A 55 6.353 10.382 3.288 1.00 0.00 O ATOM 857 CB TYR A 55 9.534 11.124 2.489 1.00 0.00 C ATOM 858 CG TYR A 55 8.786 11.923 1.443 1.00 0.00 C ATOM 859 CD1 TYR A 55 8.550 13.281 1.616 1.00 0.00 C ATOM 860 CD2 TYR A 55 8.333 11.322 0.273 1.00 0.00 C ATOM 861 CE1 TYR A 55 7.879 14.017 0.657 1.00 0.00 C ATOM 862 CE2 TYR A 55 7.665 12.052 -0.691 1.00 0.00 C ATOM 863 CZ TYR A 55 7.441 13.398 -0.495 1.00 0.00 C ATOM 864 OH TYR A 55 6.782 14.129 -1.458 1.00 0.00 O ATOM 0 H TYR A 55 10.486 9.808 4.300 1.00 0.00 H new ATOM 0 HA TYR A 55 8.330 11.624 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 55 10.393 11.705 2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.924 10.219 2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.896 13.770 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.506 10.268 0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.699 15.071 0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.320 11.570 -1.594 1.00 0.00 H new ATOM 0 HH TYR A 55 6.542 13.543 -2.206 1.00 0.00 H new ATOM 874 N PHE A 56 7.753 8.651 2.931 1.00 0.00 N ATOM 875 CA PHE A 56 6.730 7.770 2.399 1.00 0.00 C ATOM 876 C PHE A 56 5.694 7.422 3.461 1.00 0.00 C ATOM 877 O PHE A 56 4.502 7.594 3.243 1.00 0.00 O ATOM 878 CB PHE A 56 7.379 6.495 1.853 1.00 0.00 C ATOM 879 CG PHE A 56 6.436 5.600 1.110 1.00 0.00 C ATOM 880 CD1 PHE A 56 6.120 5.861 -0.210 1.00 0.00 C ATOM 881 CD2 PHE A 56 5.873 4.496 1.727 1.00 0.00 C ATOM 882 CE1 PHE A 56 5.259 5.040 -0.905 1.00 0.00 C ATOM 883 CE2 PHE A 56 5.009 3.669 1.038 1.00 0.00 C ATOM 884 CZ PHE A 56 4.700 3.941 -0.280 1.00 0.00 C ATOM 0 H PHE A 56 8.676 8.223 3.006 1.00 0.00 H new ATOM 0 HA PHE A 56 6.216 8.289 1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.198 6.772 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.815 5.938 2.682 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.553 6.719 -0.703 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.112 4.280 2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.021 5.255 -1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.575 2.810 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.023 3.297 -0.821 1.00 0.00 H new ATOM 894 N ASN A 57 6.155 6.963 4.617 1.00 0.00 N ATOM 895 CA ASN A 57 5.257 6.432 5.642 1.00 0.00 C ATOM 896 C ASN A 57 4.385 7.518 6.270 1.00 0.00 C ATOM 897 O ASN A 57 3.260 7.249 6.690 1.00 0.00 O ATOM 898 CB ASN A 57 6.061 5.709 6.725 1.00 0.00 C ATOM 899 CG ASN A 57 5.183 5.041 7.769 1.00 0.00 C ATOM 900 OD1 ASN A 57 4.695 3.931 7.569 1.00 0.00 O ATOM 901 ND2 ASN A 57 5.015 5.688 8.911 1.00 0.00 N ATOM 0 H ASN A 57 7.143 6.946 4.871 1.00 0.00 H new ATOM 0 HA ASN A 57 4.589 5.725 5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.696 4.957 6.257 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.722 6.423 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.466 5.266 9.660 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.435 6.608 9.042 1.00 0.00 H new ATOM 908 N ARG A 58 4.891 8.741 6.346 1.00 0.00 N ATOM 909 CA ARG A 58 4.138 9.809 6.991 1.00 0.00 C ATOM 910 C ARG A 58 3.180 10.508 6.029 1.00 0.00 C ATOM 911 O ARG A 58 2.181 11.084 6.466 1.00 0.00 O ATOM 912 CB ARG A 58 5.073 10.819 7.653 1.00 0.00 C ATOM 913 CG ARG A 58 5.775 10.263 8.882 1.00 0.00 C ATOM 914 CD ARG A 58 6.415 11.366 9.707 1.00 0.00 C ATOM 915 NE ARG A 58 7.497 12.038 8.992 1.00 0.00 N ATOM 916 CZ ARG A 58 7.534 13.347 8.755 1.00 0.00 C ATOM 917 NH1 ARG A 58 6.542 14.131 9.160 1.00 0.00 N ATOM 918 NH2 ARG A 58 8.567 13.876 8.119 1.00 0.00 N ATOM 0 H ARG A 58 5.801 9.016 5.977 1.00 0.00 H new ATOM 0 HA ARG A 58 3.530 9.341 7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.821 11.142 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.502 11.703 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.058 9.718 9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.538 9.549 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.655 12.098 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.803 10.944 10.634 1.00 0.00 H new ATOM 0 HE ARG A 58 8.272 11.469 8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.746 13.731 9.656 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.576 15.134 8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.335 13.280 7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.595 14.879 7.938 1.00 0.00 H new ATOM 932 N HIS A 59 3.471 10.466 4.732 1.00 0.00 N ATOM 933 CA HIS A 59 2.556 11.029 3.739 1.00 0.00 C ATOM 934 C HIS A 59 1.591 9.970 3.228 1.00 0.00 C ATOM 935 O HIS A 59 0.410 10.242 3.013 1.00 0.00 O ATOM 936 CB HIS A 59 3.315 11.652 2.566 1.00 0.00 C ATOM 937 CG HIS A 59 3.845 13.022 2.849 1.00 0.00 C ATOM 938 ND1 HIS A 59 3.110 14.168 2.640 1.00 0.00 N ATOM 939 CD2 HIS A 59 5.045 13.429 3.323 1.00 0.00 C ATOM 940 CE1 HIS A 59 3.834 15.218 2.972 1.00 0.00 C ATOM 941 NE2 HIS A 59 5.012 14.801 3.391 1.00 0.00 N ATOM 0 H HIS A 59 4.321 10.054 4.346 1.00 0.00 H new ATOM 0 HA HIS A 59 1.987 11.816 4.234 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.146 11.000 2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.653 11.700 1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.874 12.794 3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.515 16.248 2.911 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.774 15.398 3.713 1.00 0.00 H new ATOM 950 N PHE A 60 2.096 8.764 3.033 1.00 0.00 N ATOM 951 CA PHE A 60 1.271 7.651 2.600 1.00 0.00 C ATOM 952 C PHE A 60 1.138 6.660 3.741 1.00 0.00 C ATOM 953 O PHE A 60 2.125 6.082 4.192 1.00 0.00 O ATOM 954 CB PHE A 60 1.878 6.947 1.388 1.00 0.00 C ATOM 955 CG PHE A 60 2.274 7.875 0.272 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.360 8.238 -0.703 1.00 0.00 C ATOM 957 CD2 PHE A 60 3.563 8.379 0.194 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.722 9.087 -1.733 1.00 0.00 C ATOM 959 CE2 PHE A 60 3.931 9.230 -0.832 1.00 0.00 C ATOM 960 CZ PHE A 60 3.010 9.584 -1.797 1.00 0.00 C ATOM 0 H PHE A 60 3.080 8.531 3.169 1.00 0.00 H new ATOM 0 HA PHE A 60 0.293 8.038 2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.756 6.387 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.160 6.222 1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.352 7.853 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.289 8.103 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.999 9.361 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.938 9.617 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.295 10.248 -2.600 1.00 0.00 H new ATOM 970 N VAL A 61 -0.079 6.468 4.201 1.00 0.00 N ATOM 971 CA VAL A 61 -0.331 5.619 5.352 1.00 0.00 C ATOM 972 C VAL A 61 -0.166 4.154 4.977 1.00 0.00 C ATOM 973 O VAL A 61 -0.909 3.632 4.147 1.00 0.00 O ATOM 974 CB VAL A 61 -1.743 5.845 5.927 1.00 0.00 C ATOM 975 CG1 VAL A 61 -1.940 5.039 7.202 1.00 0.00 C ATOM 976 CG2 VAL A 61 -1.984 7.324 6.182 1.00 0.00 C ATOM 0 H VAL A 61 -0.915 6.889 3.796 1.00 0.00 H new ATOM 0 HA VAL A 61 0.398 5.885 6.117 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.472 5.501 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.943 5.213 7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.814 3.978 6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.204 5.347 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.986 7.465 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.248 7.695 6.895 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.891 7.874 5.246 1.00 0.00 H new ATOM 986 N ASN A 62 0.816 3.501 5.585 1.00 0.00 N ATOM 987 CA ASN A 62 1.086 2.099 5.303 1.00 0.00 C ATOM 988 C ASN A 62 0.127 1.213 6.075 1.00 0.00 C ATOM 989 O ASN A 62 0.192 1.120 7.304 1.00 0.00 O ATOM 990 CB ASN A 62 2.532 1.724 5.647 1.00 0.00 C ATOM 991 CG ASN A 62 3.546 2.202 4.618 1.00 0.00 C ATOM 992 OD1 ASN A 62 4.559 1.542 4.388 1.00 0.00 O ATOM 993 ND2 ASN A 62 3.300 3.352 4.008 1.00 0.00 N ATOM 0 H ASN A 62 1.438 3.920 6.276 1.00 0.00 H new ATOM 0 HA ASN A 62 0.941 1.944 4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 62 2.787 2.146 6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.605 0.641 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.961 3.717 3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.450 3.872 4.224 1.00 0.00 H new ATOM 1000 N LEU A 63 -0.773 0.583 5.343 1.00 0.00 N ATOM 1001 CA LEU A 63 -1.752 -0.321 5.915 1.00 0.00 C ATOM 1002 C LEU A 63 -1.499 -1.731 5.414 1.00 0.00 C ATOM 1003 O LEU A 63 -1.111 -1.920 4.266 1.00 0.00 O ATOM 1004 CB LEU A 63 -3.167 0.125 5.529 1.00 0.00 C ATOM 1005 CG LEU A 63 -4.300 -0.783 6.014 1.00 0.00 C ATOM 1006 CD1 LEU A 63 -4.428 -0.725 7.530 1.00 0.00 C ATOM 1007 CD2 LEU A 63 -5.609 -0.389 5.350 1.00 0.00 C ATOM 0 H LEU A 63 -0.845 0.685 4.331 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.662 -0.305 7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.334 1.127 5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.223 0.197 4.443 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.063 -1.810 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.239 -1.378 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.495 -1.054 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.642 0.298 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.407 -1.042 5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.848 0.644 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.512 -0.486 4.269 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.695 -2.714 6.272 1.00 0.00 N ATOM 1020 CA LYS A 64 -1.553 -4.103 5.868 1.00 0.00 C ATOM 1021 C LYS A 64 -2.894 -4.814 5.985 1.00 0.00 C ATOM 1022 O LYS A 64 -3.480 -4.863 7.065 1.00 0.00 O ATOM 1023 CB LYS A 64 -0.515 -4.814 6.737 1.00 0.00 C ATOM 1024 CG LYS A 64 -0.265 -6.257 6.321 1.00 0.00 C ATOM 1025 CD LYS A 64 0.337 -7.075 7.455 1.00 0.00 C ATOM 1026 CE LYS A 64 1.652 -6.491 7.945 1.00 0.00 C ATOM 1027 NZ LYS A 64 2.100 -7.140 9.203 1.00 0.00 N ATOM 0 H LYS A 64 -1.952 -2.579 7.250 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.216 -4.129 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.424 -4.263 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.847 -4.795 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.203 -6.712 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.406 -6.277 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.370 -7.121 8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.499 -8.099 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.416 -6.617 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.537 -5.419 8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.067 -6.830 9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.461 -6.872 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.086 -8.173 9.085 1.00 0.00 H new ATOM 1041 N MET A 65 -3.381 -5.353 4.877 1.00 0.00 N ATOM 1042 CA MET A 65 -4.650 -6.072 4.870 1.00 0.00 C ATOM 1043 C MET A 65 -4.548 -7.320 4.010 1.00 0.00 C ATOM 1044 O MET A 65 -3.776 -7.364 3.052 1.00 0.00 O ATOM 1045 CB MET A 65 -5.795 -5.186 4.365 1.00 0.00 C ATOM 1046 CG MET A 65 -6.211 -4.100 5.342 1.00 0.00 C ATOM 1047 SD MET A 65 -7.657 -3.175 4.785 1.00 0.00 S ATOM 1048 CE MET A 65 -8.894 -4.471 4.765 1.00 0.00 C ATOM 0 H MET A 65 -2.917 -5.307 3.970 1.00 0.00 H new ATOM 0 HA MET A 65 -4.870 -6.360 5.898 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.494 -4.721 3.426 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.658 -5.815 4.147 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.425 -4.552 6.311 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.379 -3.411 5.488 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.857 -4.051 4.475 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.603 -5.240 4.050 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.975 -4.912 5.759 1.00 0.00 H new ATOM 1058 N ASP A 66 -5.326 -8.330 4.356 1.00 0.00 N ATOM 1059 CA ASP A 66 -5.307 -9.587 3.625 1.00 0.00 C ATOM 1060 C ASP A 66 -6.328 -9.570 2.509 1.00 0.00 C ATOM 1061 O ASP A 66 -7.281 -8.794 2.527 1.00 0.00 O ATOM 1062 CB ASP A 66 -5.621 -10.771 4.520 1.00 0.00 C ATOM 1063 CG ASP A 66 -4.831 -12.002 4.145 1.00 0.00 C ATOM 1064 OD1 ASP A 66 -5.143 -12.617 3.105 1.00 0.00 O ATOM 1065 OD2 ASP A 66 -3.892 -12.358 4.882 1.00 0.00 O ATOM 0 H ASP A 66 -5.980 -8.306 5.139 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.299 -9.694 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.407 -10.507 5.556 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.686 -10.995 4.462 1.00 0.00 H new ATOM 1070 N MET A 67 -6.115 -10.433 1.542 1.00 0.00 N ATOM 1071 CA MET A 67 -7.018 -10.572 0.422 1.00 0.00 C ATOM 1072 C MET A 67 -7.668 -11.946 0.427 1.00 0.00 C ATOM 1073 O MET A 67 -8.384 -12.318 -0.506 1.00 0.00 O ATOM 1074 CB MET A 67 -6.258 -10.357 -0.862 1.00 0.00 C ATOM 1075 CG MET A 67 -5.990 -8.897 -1.170 1.00 0.00 C ATOM 1076 SD MET A 67 -5.286 -8.653 -2.809 1.00 0.00 S ATOM 1077 CE MET A 67 -3.845 -9.709 -2.711 1.00 0.00 C ATOM 0 H MET A 67 -5.310 -11.059 1.510 1.00 0.00 H new ATOM 0 HA MET A 67 -7.807 -9.824 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.308 -10.888 -0.806 1.00 0.00 H new ATOM 0 HB3 MET A 67 -6.821 -10.796 -1.686 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.921 -8.336 -1.091 1.00 0.00 H new ATOM 0 HG3 MET A 67 -5.309 -8.491 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.148 -9.448 -3.507 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.359 -9.573 -1.745 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.149 -10.750 -2.821 1.00 0.00 H new ATOM 1087 N GLU A 68 -7.392 -12.706 1.472 1.00 0.00 N ATOM 1088 CA GLU A 68 -8.007 -14.004 1.658 1.00 0.00 C ATOM 1089 C GLU A 68 -8.899 -13.975 2.890 1.00 0.00 C ATOM 1090 O GLU A 68 -10.009 -14.513 2.886 1.00 0.00 O ATOM 1091 CB GLU A 68 -6.932 -15.079 1.808 1.00 0.00 C ATOM 1092 CG GLU A 68 -7.490 -16.475 2.011 1.00 0.00 C ATOM 1093 CD GLU A 68 -6.409 -17.514 2.204 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -5.788 -17.925 1.203 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -6.174 -17.927 3.362 1.00 0.00 O ATOM 0 H GLU A 68 -6.739 -12.441 2.210 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.614 -14.241 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.301 -15.075 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.293 -14.826 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.148 -16.476 2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.100 -16.747 1.149 1.00 0.00 H new ATOM 1102 N LYS A 69 -8.422 -13.313 3.931 1.00 0.00 N ATOM 1103 CA LYS A 69 -9.146 -13.236 5.183 1.00 0.00 C ATOM 1104 C LYS A 69 -9.478 -11.784 5.510 1.00 0.00 C ATOM 1105 O LYS A 69 -8.753 -10.874 5.112 1.00 0.00 O ATOM 1106 CB LYS A 69 -8.306 -13.855 6.303 1.00 0.00 C ATOM 1107 CG LYS A 69 -9.100 -14.158 7.555 1.00 0.00 C ATOM 1108 CD LYS A 69 -8.235 -14.763 8.647 1.00 0.00 C ATOM 1109 CE LYS A 69 -9.089 -15.322 9.773 1.00 0.00 C ATOM 1110 NZ LYS A 69 -9.902 -16.484 9.321 1.00 0.00 N ATOM 0 H LYS A 69 -7.530 -12.819 3.930 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.079 -13.792 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.851 -14.776 5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.492 -13.175 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.559 -13.241 7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.910 -14.845 7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.616 -15.556 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.558 -14.005 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.447 -15.626 10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.749 -14.541 10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.186 -17.051 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.751 -16.142 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.338 -17.072 8.674 1.00 0.00 H new ATOM 1124 N GLY A 70 -10.580 -11.575 6.218 1.00 0.00 N ATOM 1125 CA GLY A 70 -10.957 -10.238 6.633 1.00 0.00 C ATOM 1126 C GLY A 70 -11.507 -9.396 5.500 1.00 0.00 C ATOM 1127 O GLY A 70 -11.016 -8.292 5.253 1.00 0.00 O ATOM 0 H GLY A 70 -11.222 -12.311 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.705 -10.307 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.088 -9.738 7.060 1.00 0.00 H new ATOM 1131 N GLU A 71 -12.530 -9.919 4.819 1.00 0.00 N ATOM 1132 CA GLU A 71 -13.194 -9.214 3.716 1.00 0.00 C ATOM 1133 C GLU A 71 -12.243 -9.009 2.539 1.00 0.00 C ATOM 1134 O GLU A 71 -12.474 -8.159 1.674 1.00 0.00 O ATOM 1135 CB GLU A 71 -13.746 -7.862 4.187 1.00 0.00 C ATOM 1136 CG GLU A 71 -14.775 -7.973 5.300 1.00 0.00 C ATOM 1137 CD GLU A 71 -15.993 -8.772 4.889 1.00 0.00 C ATOM 1138 OE1 GLU A 71 -16.776 -8.279 4.055 1.00 0.00 O ATOM 1139 OE2 GLU A 71 -16.178 -9.894 5.408 1.00 0.00 O ATOM 0 H GLU A 71 -12.921 -10.840 5.015 1.00 0.00 H new ATOM 0 HA GLU A 71 -14.025 -9.835 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.918 -7.242 4.531 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.197 -7.349 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.315 -8.441 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.086 -6.973 5.603 1.00 0.00 H new ATOM 1146 N GLY A 72 -11.197 -9.820 2.490 1.00 0.00 N ATOM 1147 CA GLY A 72 -10.190 -9.688 1.458 1.00 0.00 C ATOM 1148 C GLY A 72 -10.703 -10.080 0.088 1.00 0.00 C ATOM 1149 O GLY A 72 -10.271 -9.526 -0.925 1.00 0.00 O ATOM 0 H GLY A 72 -11.027 -10.575 3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.839 -8.657 1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.332 -10.310 1.712 1.00 0.00 H new ATOM 1153 N VAL A 73 -11.618 -11.040 0.056 1.00 0.00 N ATOM 1154 CA VAL A 73 -12.185 -11.520 -1.201 1.00 0.00 C ATOM 1155 C VAL A 73 -12.880 -10.389 -1.964 1.00 0.00 C ATOM 1156 O VAL A 73 -12.853 -10.350 -3.197 1.00 0.00 O ATOM 1157 CB VAL A 73 -13.175 -12.685 -0.975 1.00 0.00 C ATOM 1158 CG1 VAL A 73 -12.447 -13.900 -0.417 1.00 0.00 C ATOM 1159 CG2 VAL A 73 -14.305 -12.272 -0.043 1.00 0.00 C ATOM 0 H VAL A 73 -11.985 -11.504 0.887 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.353 -11.889 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.611 -12.948 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -13.158 -14.712 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.679 -14.219 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.982 -13.640 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.986 -13.111 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.892 -11.975 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.848 -11.433 -0.479 1.00 0.00 H new ATOM 1169 N GLU A 74 -13.478 -9.459 -1.225 1.00 0.00 N ATOM 1170 CA GLU A 74 -14.135 -8.315 -1.833 1.00 0.00 C ATOM 1171 C GLU A 74 -13.099 -7.417 -2.498 1.00 0.00 C ATOM 1172 O GLU A 74 -13.280 -6.982 -3.633 1.00 0.00 O ATOM 1173 CB GLU A 74 -14.922 -7.531 -0.778 1.00 0.00 C ATOM 1174 CG GLU A 74 -15.758 -6.392 -1.343 1.00 0.00 C ATOM 1175 CD GLU A 74 -16.805 -6.859 -2.336 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -17.470 -7.881 -2.072 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -16.986 -6.189 -3.376 1.00 0.00 O ATOM 0 H GLU A 74 -13.519 -9.478 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 74 -14.834 -8.669 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -15.578 -8.219 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.223 -7.126 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.251 -5.869 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.100 -5.672 -1.830 1.00 0.00 H new ATOM 1184 N LEU A 75 -12.000 -7.177 -1.788 1.00 0.00 N ATOM 1185 CA LEU A 75 -10.916 -6.338 -2.289 1.00 0.00 C ATOM 1186 C LEU A 75 -10.317 -6.934 -3.558 1.00 0.00 C ATOM 1187 O LEU A 75 -10.139 -6.239 -4.560 1.00 0.00 O ATOM 1188 CB LEU A 75 -9.821 -6.192 -1.225 1.00 0.00 C ATOM 1189 CG LEU A 75 -10.296 -5.714 0.151 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -9.133 -5.685 1.130 1.00 0.00 C ATOM 1191 CD2 LEU A 75 -10.937 -4.337 0.056 1.00 0.00 C ATOM 0 H LEU A 75 -11.836 -7.556 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.327 -5.355 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.326 -7.155 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.071 -5.492 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.046 -6.416 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.485 -5.343 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.714 -6.686 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.365 -5.004 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.266 -4.020 1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.210 -3.623 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.795 -4.381 -0.615 1.00 0.00 H new ATOM 1203 N ARG A 76 -10.039 -8.232 -3.507 1.00 0.00 N ATOM 1204 CA ARG A 76 -9.406 -8.941 -4.612 1.00 0.00 C ATOM 1205 C ARG A 76 -10.181 -8.759 -5.915 1.00 0.00 C ATOM 1206 O ARG A 76 -9.600 -8.447 -6.956 1.00 0.00 O ATOM 1207 CB ARG A 76 -9.308 -10.427 -4.276 1.00 0.00 C ATOM 1208 CG ARG A 76 -8.589 -11.256 -5.328 1.00 0.00 C ATOM 1209 CD ARG A 76 -8.732 -12.742 -5.042 1.00 0.00 C ATOM 1210 NE ARG A 76 -10.138 -13.144 -4.978 1.00 0.00 N ATOM 1211 CZ ARG A 76 -10.588 -14.195 -4.293 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -9.740 -15.002 -3.663 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -11.886 -14.447 -4.259 1.00 0.00 N ATOM 0 H ARG A 76 -10.246 -8.821 -2.700 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.409 -8.523 -4.754 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.790 -10.540 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.314 -10.825 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.996 -11.031 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.533 -10.986 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.224 -13.313 -5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.241 -12.981 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.818 -12.583 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.737 -14.819 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.092 -15.804 -3.141 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.537 -13.838 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.236 -15.250 -3.736 1.00 0.00 H new ATOM 1227 N LYS A 77 -11.491 -8.952 -5.852 1.00 0.00 N ATOM 1228 CA LYS A 77 -12.324 -8.843 -7.039 1.00 0.00 C ATOM 1229 C LYS A 77 -12.550 -7.378 -7.407 1.00 0.00 C ATOM 1230 O LYS A 77 -12.671 -7.034 -8.583 1.00 0.00 O ATOM 1231 CB LYS A 77 -13.668 -9.536 -6.807 1.00 0.00 C ATOM 1232 CG LYS A 77 -14.474 -9.750 -8.080 1.00 0.00 C ATOM 1233 CD LYS A 77 -13.771 -10.717 -9.021 1.00 0.00 C ATOM 1234 CE LYS A 77 -14.551 -10.913 -10.311 1.00 0.00 C ATOM 1235 NZ LYS A 77 -13.940 -11.959 -11.175 1.00 0.00 N ATOM 0 H LYS A 77 -11.996 -9.183 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.809 -9.333 -7.865 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.492 -10.501 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.258 -8.941 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.461 -10.137 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.625 -8.795 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.774 -10.340 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.641 -11.679 -8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.578 -11.191 -10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.593 -9.970 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.501 -12.062 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.968 -11.682 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.923 -12.865 -10.664 1.00 0.00 H new ATOM 1249 N LYS A 78 -12.567 -6.517 -6.396 1.00 0.00 N ATOM 1250 CA LYS A 78 -12.906 -5.109 -6.593 1.00 0.00 C ATOM 1251 C LYS A 78 -11.794 -4.370 -7.329 1.00 0.00 C ATOM 1252 O LYS A 78 -12.053 -3.557 -8.220 1.00 0.00 O ATOM 1253 CB LYS A 78 -13.173 -4.432 -5.242 1.00 0.00 C ATOM 1254 CG LYS A 78 -13.600 -2.975 -5.348 1.00 0.00 C ATOM 1255 CD LYS A 78 -13.802 -2.355 -3.972 1.00 0.00 C ATOM 1256 CE LYS A 78 -14.221 -0.892 -4.060 1.00 0.00 C ATOM 1257 NZ LYS A 78 -15.584 -0.727 -4.635 1.00 0.00 N ATOM 0 H LYS A 78 -12.350 -6.767 -5.431 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.808 -5.066 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.949 -4.989 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.270 -4.491 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.844 -2.412 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.526 -2.906 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.562 -2.917 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.878 -2.433 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.193 -0.448 -3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.503 -0.347 -4.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.858 0.276 -4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.585 -1.048 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.263 -1.293 -4.087 1.00 0.00 H new ATOM 1271 N TYR A 79 -10.557 -4.664 -6.963 1.00 0.00 N ATOM 1272 CA TYR A 79 -9.419 -3.934 -7.499 1.00 0.00 C ATOM 1273 C TYR A 79 -8.702 -4.732 -8.580 1.00 0.00 C ATOM 1274 O TYR A 79 -7.656 -4.314 -9.077 1.00 0.00 O ATOM 1275 CB TYR A 79 -8.461 -3.568 -6.369 1.00 0.00 C ATOM 1276 CG TYR A 79 -9.132 -2.784 -5.262 1.00 0.00 C ATOM 1277 CD1 TYR A 79 -9.686 -1.533 -5.511 1.00 0.00 C ATOM 1278 CD2 TYR A 79 -9.210 -3.290 -3.972 1.00 0.00 C ATOM 1279 CE1 TYR A 79 -10.302 -0.814 -4.504 1.00 0.00 C ATOM 1280 CE2 TYR A 79 -9.823 -2.577 -2.962 1.00 0.00 C ATOM 1281 CZ TYR A 79 -10.365 -1.340 -3.232 1.00 0.00 C ATOM 1282 OH TYR A 79 -10.981 -0.629 -2.227 1.00 0.00 O ATOM 0 H TYR A 79 -10.315 -5.400 -6.300 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.787 -3.019 -7.964 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -8.031 -4.480 -5.953 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.636 -2.982 -6.774 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.634 -1.117 -6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.784 -4.258 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.732 0.155 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.877 -2.987 -1.964 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.940 -1.140 -1.392 1.00 0.00 H new ATOM 1292 N GLY A 80 -9.279 -5.869 -8.950 1.00 0.00 N ATOM 1293 CA GLY A 80 -8.719 -6.675 -10.021 1.00 0.00 C ATOM 1294 C GLY A 80 -7.319 -7.160 -9.713 1.00 0.00 C ATOM 1295 O GLY A 80 -6.375 -6.878 -10.451 1.00 0.00 O ATOM 0 H GLY A 80 -10.126 -6.249 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.366 -7.534 -10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.703 -6.090 -10.941 1.00 0.00 H new ATOM 1299 N VAL A 81 -7.188 -7.885 -8.617 1.00 0.00 N ATOM 1300 CA VAL A 81 -5.897 -8.390 -8.190 1.00 0.00 C ATOM 1301 C VAL A 81 -5.445 -9.545 -9.076 1.00 0.00 C ATOM 1302 O VAL A 81 -6.105 -10.584 -9.155 1.00 0.00 O ATOM 1303 CB VAL A 81 -5.932 -8.839 -6.720 1.00 0.00 C ATOM 1304 CG1 VAL A 81 -4.577 -9.376 -6.287 1.00 0.00 C ATOM 1305 CG2 VAL A 81 -6.362 -7.683 -5.832 1.00 0.00 C ATOM 0 H VAL A 81 -7.964 -8.138 -8.005 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.180 -7.574 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.659 -9.645 -6.620 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.626 -9.688 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.309 -10.230 -6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.824 -8.596 -6.398 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.384 -8.011 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.655 -6.860 -5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.356 -7.348 -6.127 1.00 0.00 H new ATOM 1315 N HIS A 82 -4.324 -9.340 -9.755 1.00 0.00 N ATOM 1316 CA HIS A 82 -3.754 -10.347 -10.641 1.00 0.00 C ATOM 1317 C HIS A 82 -2.255 -10.454 -10.409 1.00 0.00 C ATOM 1318 O HIS A 82 -1.482 -10.692 -11.337 1.00 0.00 O ATOM 1319 CB HIS A 82 -4.036 -10.000 -12.108 1.00 0.00 C ATOM 1320 CG HIS A 82 -5.483 -10.067 -12.474 1.00 0.00 C ATOM 1321 ND1 HIS A 82 -6.222 -8.963 -12.836 1.00 0.00 N ATOM 1322 CD2 HIS A 82 -6.328 -11.119 -12.539 1.00 0.00 C ATOM 1323 CE1 HIS A 82 -7.457 -9.334 -13.104 1.00 0.00 C ATOM 1324 NE2 HIS A 82 -7.550 -10.638 -12.931 1.00 0.00 N ATOM 0 H HIS A 82 -3.786 -8.475 -9.708 1.00 0.00 H new ATOM 0 HA HIS A 82 -4.220 -11.307 -10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.665 -8.996 -12.312 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.477 -10.683 -12.748 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.085 -12.149 -12.322 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.259 -8.680 -13.413 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.393 -11.197 -13.067 1.00 0.00 H new ATOM 1333 N ALA A 83 -1.850 -10.283 -9.159 1.00 0.00 N ATOM 1334 CA ALA A 83 -0.443 -10.324 -8.794 1.00 0.00 C ATOM 1335 C ALA A 83 -0.289 -10.839 -7.369 1.00 0.00 C ATOM 1336 O ALA A 83 -1.277 -11.197 -6.725 1.00 0.00 O ATOM 1337 CB ALA A 83 0.177 -8.941 -8.927 1.00 0.00 C ATOM 0 H ALA A 83 -2.481 -10.113 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 83 0.077 -11.002 -9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.230 -8.986 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.087 -8.599 -9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.341 -8.245 -8.268 1.00 0.00 H new ATOM 1343 N TYR A 84 0.942 -10.875 -6.876 1.00 0.00 N ATOM 1344 CA TYR A 84 1.191 -11.286 -5.499 1.00 0.00 C ATOM 1345 C TYR A 84 1.204 -10.072 -4.567 1.00 0.00 C ATOM 1346 O TYR A 84 0.454 -10.043 -3.589 1.00 0.00 O ATOM 1347 CB TYR A 84 2.496 -12.076 -5.379 1.00 0.00 C ATOM 1348 CG TYR A 84 2.486 -13.397 -6.119 1.00 0.00 C ATOM 1349 CD1 TYR A 84 1.627 -14.421 -5.736 1.00 0.00 C ATOM 1350 CD2 TYR A 84 3.330 -13.621 -7.199 1.00 0.00 C ATOM 1351 CE1 TYR A 84 1.612 -15.628 -6.406 1.00 0.00 C ATOM 1352 CE2 TYR A 84 3.321 -14.828 -7.874 1.00 0.00 C ATOM 1353 CZ TYR A 84 2.460 -15.827 -7.473 1.00 0.00 C ATOM 1354 OH TYR A 84 2.450 -17.032 -8.141 1.00 0.00 O ATOM 0 H TYR A 84 1.779 -10.627 -7.404 1.00 0.00 H new ATOM 0 HA TYR A 84 0.377 -11.945 -5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.315 -11.465 -5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.700 -12.263 -4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.960 -14.270 -4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.004 -12.840 -7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.938 -16.413 -6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.985 -14.987 -8.711 1.00 0.00 H new ATOM 0 HH TYR A 84 3.106 -17.008 -8.868 1.00 0.00 H new ATOM 1364 N PRO A 85 2.061 -9.057 -4.830 1.00 0.00 N ATOM 1365 CA PRO A 85 2.007 -7.793 -4.123 1.00 0.00 C ATOM 1366 C PRO A 85 1.103 -6.794 -4.843 1.00 0.00 C ATOM 1367 O PRO A 85 1.359 -6.431 -5.995 1.00 0.00 O ATOM 1368 CB PRO A 85 3.463 -7.306 -4.138 1.00 0.00 C ATOM 1369 CG PRO A 85 4.203 -8.205 -5.086 1.00 0.00 C ATOM 1370 CD PRO A 85 3.173 -9.053 -5.785 1.00 0.00 C ATOM 0 HA PRO A 85 1.598 -7.896 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.521 -6.267 -4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 85 3.898 -7.353 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.773 -7.619 -5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.916 -8.830 -4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 85 2.881 -8.627 -6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 85 3.542 -10.060 -5.982 1.00 0.00 H new ATOM 1378 N THR A 86 0.045 -6.365 -4.183 1.00 0.00 N ATOM 1379 CA THR A 86 -0.898 -5.442 -4.789 1.00 0.00 C ATOM 1380 C THR A 86 -0.907 -4.117 -4.037 1.00 0.00 C ATOM 1381 O THR A 86 -1.188 -4.072 -2.838 1.00 0.00 O ATOM 1382 CB THR A 86 -2.313 -6.044 -4.808 1.00 0.00 C ATOM 1383 OG1 THR A 86 -2.238 -7.409 -5.239 1.00 0.00 O ATOM 1384 CG2 THR A 86 -3.222 -5.259 -5.742 1.00 0.00 C ATOM 0 H THR A 86 -0.184 -6.640 -3.228 1.00 0.00 H new ATOM 0 HA THR A 86 -0.582 -5.262 -5.816 1.00 0.00 H new ATOM 0 HB THR A 86 -2.731 -5.994 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.920 -7.968 -4.500 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.217 -5.703 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.285 -4.225 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.816 -5.286 -6.753 1.00 0.00 H new ATOM 1392 N LEU A 87 -0.600 -3.043 -4.748 1.00 0.00 N ATOM 1393 CA LEU A 87 -0.486 -1.731 -4.140 1.00 0.00 C ATOM 1394 C LEU A 87 -1.772 -0.948 -4.338 1.00 0.00 C ATOM 1395 O LEU A 87 -2.098 -0.544 -5.453 1.00 0.00 O ATOM 1396 CB LEU A 87 0.696 -0.949 -4.732 1.00 0.00 C ATOM 1397 CG LEU A 87 2.090 -1.522 -4.452 1.00 0.00 C ATOM 1398 CD1 LEU A 87 2.349 -2.776 -5.273 1.00 0.00 C ATOM 1399 CD2 LEU A 87 3.153 -0.478 -4.736 1.00 0.00 C ATOM 0 H LEU A 87 -0.425 -3.057 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.308 -1.868 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.561 -0.887 -5.812 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.660 0.070 -4.348 1.00 0.00 H new ATOM 0 HG LEU A 87 2.134 -1.797 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.346 -3.157 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.607 -3.534 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.280 -2.537 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.138 -0.898 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.096 -0.175 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.990 0.390 -4.098 1.00 0.00 H new ATOM 1411 N LEU A 88 -2.516 -0.758 -3.262 1.00 0.00 N ATOM 1412 CA LEU A 88 -3.762 -0.014 -3.330 1.00 0.00 C ATOM 1413 C LEU A 88 -3.557 1.437 -2.945 1.00 0.00 C ATOM 1414 O LEU A 88 -2.951 1.745 -1.914 1.00 0.00 O ATOM 1415 CB LEU A 88 -4.833 -0.649 -2.441 1.00 0.00 C ATOM 1416 CG LEU A 88 -5.668 -1.737 -3.114 1.00 0.00 C ATOM 1417 CD1 LEU A 88 -6.320 -1.187 -4.371 1.00 0.00 C ATOM 1418 CD2 LEU A 88 -4.820 -2.955 -3.441 1.00 0.00 C ATOM 0 H LEU A 88 -2.280 -1.107 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.105 -0.050 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.349 -1.075 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.502 0.135 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.447 -2.052 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.913 -1.969 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.966 -0.349 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.549 -0.848 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.441 -3.713 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.014 -2.667 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.396 -3.360 -2.522 1.00 0.00 H new ATOM 1430 N PHE A 89 -4.067 2.324 -3.784 1.00 0.00 N ATOM 1431 CA PHE A 89 -3.963 3.749 -3.550 1.00 0.00 C ATOM 1432 C PHE A 89 -5.356 4.358 -3.458 1.00 0.00 C ATOM 1433 O PHE A 89 -6.047 4.525 -4.472 1.00 0.00 O ATOM 1434 CB PHE A 89 -3.176 4.409 -4.681 1.00 0.00 C ATOM 1435 CG PHE A 89 -1.847 3.765 -4.954 1.00 0.00 C ATOM 1436 CD1 PHE A 89 -0.802 3.889 -4.055 1.00 0.00 C ATOM 1437 CD2 PHE A 89 -1.642 3.035 -6.114 1.00 0.00 C ATOM 1438 CE1 PHE A 89 0.420 3.301 -4.307 1.00 0.00 C ATOM 1439 CE2 PHE A 89 -0.422 2.445 -6.370 1.00 0.00 C ATOM 1440 CZ PHE A 89 0.611 2.577 -5.466 1.00 0.00 C ATOM 0 H PHE A 89 -4.561 2.075 -4.641 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.437 3.919 -2.611 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.775 4.383 -5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.016 5.459 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.945 4.453 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.447 2.927 -6.826 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.227 3.407 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.276 1.880 -7.278 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.567 2.115 -5.665 1.00 0.00 H new ATOM 1450 N ILE A 90 -5.768 4.682 -2.245 1.00 0.00 N ATOM 1451 CA ILE A 90 -7.098 5.216 -2.002 1.00 0.00 C ATOM 1452 C ILE A 90 -7.010 6.626 -1.417 1.00 0.00 C ATOM 1453 O ILE A 90 -6.137 6.919 -0.595 1.00 0.00 O ATOM 1454 CB ILE A 90 -7.927 4.278 -1.071 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -8.602 3.153 -1.873 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -8.981 5.045 -0.289 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -7.654 2.106 -2.411 1.00 0.00 C ATOM 0 H ILE A 90 -5.196 4.584 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.618 5.271 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.223 3.840 -0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.339 2.664 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.145 3.596 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.536 4.355 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.497 5.800 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.667 5.531 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.218 1.353 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.931 2.577 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.129 1.631 -1.583 1.00 0.00 H new ATOM 1469 N ASN A 91 -7.902 7.493 -1.872 1.00 0.00 N ATOM 1470 CA ASN A 91 -7.932 8.887 -1.447 1.00 0.00 C ATOM 1471 C ASN A 91 -8.677 9.028 -0.123 1.00 0.00 C ATOM 1472 O ASN A 91 -9.303 8.082 0.355 1.00 0.00 O ATOM 1473 CB ASN A 91 -8.614 9.730 -2.534 1.00 0.00 C ATOM 1474 CG ASN A 91 -8.676 11.217 -2.233 1.00 0.00 C ATOM 1475 OD1 ASN A 91 -7.778 11.784 -1.609 1.00 0.00 O ATOM 1476 ND2 ASN A 91 -9.743 11.852 -2.685 1.00 0.00 N ATOM 0 H ASN A 91 -8.627 7.251 -2.547 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.911 9.239 -1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.083 9.585 -3.475 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -9.629 9.359 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.848 12.853 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.462 11.341 -3.197 1.00 0.00 H new ATOM 1483 N SER A 92 -8.626 10.220 0.440 1.00 0.00 N ATOM 1484 CA SER A 92 -9.283 10.522 1.704 1.00 0.00 C ATOM 1485 C SER A 92 -10.797 10.355 1.586 1.00 0.00 C ATOM 1486 O SER A 92 -11.496 10.206 2.586 1.00 0.00 O ATOM 1487 CB SER A 92 -8.957 11.955 2.121 1.00 0.00 C ATOM 1488 OG SER A 92 -7.580 12.242 1.936 1.00 0.00 O ATOM 0 H SER A 92 -8.127 11.011 0.034 1.00 0.00 H new ATOM 0 HA SER A 92 -8.917 9.825 2.458 1.00 0.00 H new ATOM 0 HB2 SER A 92 -9.558 12.652 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 92 -9.225 12.102 3.167 1.00 0.00 H new ATOM 0 HG SER A 92 -7.430 13.205 2.037 1.00 0.00 H new ATOM 1494 N SER A 93 -11.298 10.363 0.354 1.00 0.00 N ATOM 1495 CA SER A 93 -12.730 10.255 0.111 1.00 0.00 C ATOM 1496 C SER A 93 -13.161 8.795 -0.015 1.00 0.00 C ATOM 1497 O SER A 93 -14.329 8.504 -0.270 1.00 0.00 O ATOM 1498 CB SER A 93 -13.097 11.022 -1.158 1.00 0.00 C ATOM 1499 OG SER A 93 -12.604 12.351 -1.103 1.00 0.00 O ATOM 0 H SER A 93 -10.732 10.443 -0.491 1.00 0.00 H new ATOM 0 HA SER A 93 -13.255 10.688 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.685 10.512 -2.029 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.180 11.036 -1.280 1.00 0.00 H new ATOM 0 HG SER A 93 -12.848 12.825 -1.925 1.00 0.00 H new ATOM 1505 N GLY A 94 -12.213 7.880 0.162 1.00 0.00 N ATOM 1506 CA GLY A 94 -12.515 6.465 0.051 1.00 0.00 C ATOM 1507 C GLY A 94 -12.515 5.987 -1.385 1.00 0.00 C ATOM 1508 O GLY A 94 -12.760 4.811 -1.659 1.00 0.00 O ATOM 0 H GLY A 94 -11.240 8.094 0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.782 5.894 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.490 6.268 0.497 1.00 0.00 H new ATOM 1512 N GLU A 95 -12.233 6.899 -2.301 1.00 0.00 N ATOM 1513 CA GLU A 95 -12.225 6.579 -3.718 1.00 0.00 C ATOM 1514 C GLU A 95 -10.825 6.167 -4.145 1.00 0.00 C ATOM 1515 O GLU A 95 -9.845 6.490 -3.471 1.00 0.00 O ATOM 1516 CB GLU A 95 -12.685 7.782 -4.539 1.00 0.00 C ATOM 1517 CG GLU A 95 -13.855 8.531 -3.924 1.00 0.00 C ATOM 1518 CD GLU A 95 -14.566 9.424 -4.916 1.00 0.00 C ATOM 1519 OE1 GLU A 95 -13.884 10.077 -5.733 1.00 0.00 O ATOM 1520 OE2 GLU A 95 -15.810 9.474 -4.886 1.00 0.00 O ATOM 0 H GLU A 95 -12.006 7.870 -2.087 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.914 5.753 -3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.848 8.470 -4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.966 7.444 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.565 7.813 -3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.496 9.135 -3.091 1.00 0.00 H new ATOM 1527 N VAL A 96 -10.727 5.467 -5.261 1.00 0.00 N ATOM 1528 CA VAL A 96 -9.436 5.006 -5.743 1.00 0.00 C ATOM 1529 C VAL A 96 -8.813 6.031 -6.683 1.00 0.00 C ATOM 1530 O VAL A 96 -9.495 6.623 -7.525 1.00 0.00 O ATOM 1531 CB VAL A 96 -9.535 3.632 -6.447 1.00 0.00 C ATOM 1532 CG1 VAL A 96 -10.025 2.571 -5.475 1.00 0.00 C ATOM 1533 CG2 VAL A 96 -10.445 3.698 -7.665 1.00 0.00 C ATOM 0 H VAL A 96 -11.520 5.206 -5.848 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.795 4.886 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.537 3.360 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.089 1.611 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.328 2.492 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.010 2.848 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.493 2.717 -8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.445 4.001 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -10.049 4.423 -8.376 1.00 0.00 H new ATOM 1543 N VAL A 97 -7.522 6.261 -6.516 1.00 0.00 N ATOM 1544 CA VAL A 97 -6.810 7.207 -7.360 1.00 0.00 C ATOM 1545 C VAL A 97 -6.115 6.467 -8.498 1.00 0.00 C ATOM 1546 O VAL A 97 -6.344 6.757 -9.673 1.00 0.00 O ATOM 1547 CB VAL A 97 -5.768 8.013 -6.555 1.00 0.00 C ATOM 1548 CG1 VAL A 97 -5.104 9.069 -7.429 1.00 0.00 C ATOM 1549 CG2 VAL A 97 -6.410 8.653 -5.335 1.00 0.00 C ATOM 0 H VAL A 97 -6.946 5.808 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.541 7.907 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.997 7.322 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.374 9.623 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -4.601 8.585 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.861 9.756 -7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.658 9.216 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.206 9.326 -5.654 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.827 7.876 -4.694 1.00 0.00 H new ATOM 1559 N TYR A 98 -5.292 5.492 -8.138 1.00 0.00 N ATOM 1560 CA TYR A 98 -4.545 4.714 -9.114 1.00 0.00 C ATOM 1561 C TYR A 98 -4.492 3.256 -8.676 1.00 0.00 C ATOM 1562 O TYR A 98 -4.433 2.966 -7.483 1.00 0.00 O ATOM 1563 CB TYR A 98 -3.130 5.294 -9.254 1.00 0.00 C ATOM 1564 CG TYR A 98 -2.230 4.553 -10.220 1.00 0.00 C ATOM 1565 CD1 TYR A 98 -2.426 4.641 -11.592 1.00 0.00 C ATOM 1566 CD2 TYR A 98 -1.184 3.769 -9.755 1.00 0.00 C ATOM 1567 CE1 TYR A 98 -1.602 3.965 -12.476 1.00 0.00 C ATOM 1568 CE2 TYR A 98 -0.357 3.091 -10.629 1.00 0.00 C ATOM 1569 CZ TYR A 98 -0.569 3.191 -11.988 1.00 0.00 C ATOM 1570 OH TYR A 98 0.254 2.512 -12.861 1.00 0.00 O ATOM 0 H TYR A 98 -5.125 5.220 -7.169 1.00 0.00 H new ATOM 0 HA TYR A 98 -5.040 4.764 -10.084 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.209 6.332 -9.577 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.657 5.301 -8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -3.234 5.246 -11.976 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.014 3.688 -8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.767 4.043 -13.541 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.452 2.485 -10.250 1.00 0.00 H new ATOM 0 HH TYR A 98 1.147 2.424 -12.467 1.00 0.00 H new ATOM 1580 N ARG A 99 -4.549 2.345 -9.637 1.00 0.00 N ATOM 1581 CA ARG A 99 -4.463 0.919 -9.346 1.00 0.00 C ATOM 1582 C ARG A 99 -3.127 0.377 -9.827 1.00 0.00 C ATOM 1583 O ARG A 99 -2.640 0.771 -10.888 1.00 0.00 O ATOM 1584 CB ARG A 99 -5.612 0.163 -10.016 1.00 0.00 C ATOM 1585 CG ARG A 99 -6.983 0.646 -9.579 1.00 0.00 C ATOM 1586 CD ARG A 99 -8.095 -0.084 -10.310 1.00 0.00 C ATOM 1587 NE ARG A 99 -9.404 0.518 -10.049 1.00 0.00 N ATOM 1588 CZ ARG A 99 -10.451 -0.146 -9.561 1.00 0.00 C ATOM 1589 NH1 ARG A 99 -10.364 -1.453 -9.328 1.00 0.00 N ATOM 1590 NH2 ARG A 99 -11.595 0.494 -9.348 1.00 0.00 N ATOM 0 H ARG A 99 -4.655 2.567 -10.627 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.541 0.775 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.525 0.268 -11.097 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.519 -0.899 -9.790 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.095 0.498 -8.505 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.068 1.717 -9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.896 -0.070 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.108 -1.129 -10.002 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.522 1.510 -10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.494 -1.949 -9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.167 -1.959 -8.954 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.669 1.489 -9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.399 -0.010 -8.975 1.00 0.00 H new ATOM 1604 N LEU A 100 -2.535 -0.521 -9.051 1.00 0.00 N ATOM 1605 CA LEU A 100 -1.203 -1.028 -9.361 1.00 0.00 C ATOM 1606 C LEU A 100 -0.990 -2.438 -8.815 1.00 0.00 C ATOM 1607 O LEU A 100 -0.921 -2.649 -7.601 1.00 0.00 O ATOM 1608 CB LEU A 100 -0.138 -0.089 -8.788 1.00 0.00 C ATOM 1609 CG LEU A 100 1.307 -0.444 -9.139 1.00 0.00 C ATOM 1610 CD1 LEU A 100 1.539 -0.307 -10.637 1.00 0.00 C ATOM 1611 CD2 LEU A 100 2.276 0.436 -8.362 1.00 0.00 C ATOM 0 H LEU A 100 -2.952 -0.912 -8.207 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.113 -1.071 -10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.342 0.922 -9.141 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.237 -0.074 -7.703 1.00 0.00 H new ATOM 0 HG LEU A 100 1.487 -1.482 -8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.572 -0.563 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.869 -0.980 -11.172 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.342 0.720 -10.943 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.300 0.169 -8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.098 1.482 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.125 0.288 -7.293 1.00 0.00 H new ATOM 1623 N VAL A 101 -0.892 -3.403 -9.717 1.00 0.00 N ATOM 1624 CA VAL A 101 -0.522 -4.759 -9.342 1.00 0.00 C ATOM 1625 C VAL A 101 0.951 -5.002 -9.667 1.00 0.00 C ATOM 1626 O VAL A 101 1.405 -4.735 -10.784 1.00 0.00 O ATOM 1627 CB VAL A 101 -1.408 -5.825 -10.036 1.00 0.00 C ATOM 1628 CG1 VAL A 101 -2.843 -5.730 -9.538 1.00 0.00 C ATOM 1629 CG2 VAL A 101 -1.363 -5.684 -11.551 1.00 0.00 C ATOM 0 H VAL A 101 -1.064 -3.272 -10.714 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.684 -4.859 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.010 -6.807 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.451 -6.485 -10.035 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.866 -5.897 -8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.241 -4.740 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.995 -6.447 -12.006 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.725 -4.696 -11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.337 -5.809 -11.898 1.00 0.00 H new ATOM 1639 N GLY A 102 1.699 -5.484 -8.684 1.00 0.00 N ATOM 1640 CA GLY A 102 3.126 -5.673 -8.859 1.00 0.00 C ATOM 1641 C GLY A 102 3.916 -4.525 -8.265 1.00 0.00 C ATOM 1642 O GLY A 102 3.569 -3.359 -8.455 1.00 0.00 O ATOM 0 H GLY A 102 1.342 -5.748 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.431 -6.608 -8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.355 -5.762 -9.921 1.00 0.00 H new ATOM 1646 N ALA A 103 4.981 -4.849 -7.552 1.00 0.00 N ATOM 1647 CA ALA A 103 5.751 -3.840 -6.841 1.00 0.00 C ATOM 1648 C ALA A 103 7.185 -3.778 -7.343 1.00 0.00 C ATOM 1649 O ALA A 103 7.777 -4.801 -7.698 1.00 0.00 O ATOM 1650 CB ALA A 103 5.725 -4.119 -5.348 1.00 0.00 C ATOM 0 H ALA A 103 5.333 -5.801 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 103 5.291 -2.870 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.304 -3.358 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.695 -4.099 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.157 -5.101 -5.154 1.00 0.00 H new ATOM 1656 N GLU A 104 7.724 -2.572 -7.392 1.00 0.00 N ATOM 1657 CA GLU A 104 9.107 -2.349 -7.785 1.00 0.00 C ATOM 1658 C GLU A 104 9.958 -2.024 -6.563 1.00 0.00 C ATOM 1659 O GLU A 104 9.480 -2.071 -5.428 1.00 0.00 O ATOM 1660 CB GLU A 104 9.192 -1.193 -8.784 1.00 0.00 C ATOM 1661 CG GLU A 104 8.540 -1.473 -10.127 1.00 0.00 C ATOM 1662 CD GLU A 104 9.265 -2.538 -10.923 1.00 0.00 C ATOM 1663 OE1 GLU A 104 10.486 -2.389 -11.155 1.00 0.00 O ATOM 1664 OE2 GLU A 104 8.615 -3.527 -11.326 1.00 0.00 O ATOM 0 H GLU A 104 7.216 -1.718 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 104 9.483 -3.259 -8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.723 -0.313 -8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.241 -0.947 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.508 -1.786 -9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.507 -0.552 -10.708 1.00 0.00 H new ATOM 1671 N ASP A 105 11.221 -1.706 -6.805 1.00 0.00 N ATOM 1672 CA ASP A 105 12.129 -1.274 -5.752 1.00 0.00 C ATOM 1673 C ASP A 105 11.839 0.169 -5.344 1.00 0.00 C ATOM 1674 O ASP A 105 11.040 0.851 -5.985 1.00 0.00 O ATOM 1675 CB ASP A 105 13.583 -1.427 -6.206 1.00 0.00 C ATOM 1676 CG ASP A 105 13.808 -0.957 -7.630 1.00 0.00 C ATOM 1677 OD1 ASP A 105 13.572 -1.759 -8.564 1.00 0.00 O ATOM 1678 OD2 ASP A 105 14.235 0.200 -7.823 1.00 0.00 O ATOM 0 H ASP A 105 11.644 -1.740 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 105 11.971 -1.909 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.229 -0.861 -5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.876 -2.474 -6.123 1.00 0.00 H new ATOM 1683 N ALA A 106 12.515 0.633 -4.293 1.00 0.00 N ATOM 1684 CA ALA A 106 12.224 1.936 -3.681 1.00 0.00 C ATOM 1685 C ALA A 106 12.189 3.101 -4.686 1.00 0.00 C ATOM 1686 O ALA A 106 11.226 3.872 -4.690 1.00 0.00 O ATOM 1687 CB ALA A 106 13.214 2.233 -2.562 1.00 0.00 C ATOM 0 H ALA A 106 13.275 0.123 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 106 11.217 1.857 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 106 12.983 3.202 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 106 13.142 1.459 -1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 106 14.226 2.250 -2.967 1.00 0.00 H new ATOM 1693 N PRO A 107 13.224 3.270 -5.545 1.00 0.00 N ATOM 1694 CA PRO A 107 13.246 4.363 -6.528 1.00 0.00 C ATOM 1695 C PRO A 107 12.046 4.324 -7.471 1.00 0.00 C ATOM 1696 O PRO A 107 11.396 5.345 -7.707 1.00 0.00 O ATOM 1697 CB PRO A 107 14.540 4.125 -7.307 1.00 0.00 C ATOM 1698 CG PRO A 107 15.391 3.313 -6.398 1.00 0.00 C ATOM 1699 CD PRO A 107 14.442 2.441 -5.631 1.00 0.00 C ATOM 0 HA PRO A 107 13.198 5.339 -6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 107 14.347 3.599 -8.242 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.024 5.067 -7.565 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.106 2.714 -6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.968 3.950 -5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.253 1.499 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 107 14.831 2.192 -4.644 1.00 0.00 H new ATOM 1707 N GLU A 108 11.750 3.139 -7.994 1.00 0.00 N ATOM 1708 CA GLU A 108 10.643 2.957 -8.922 1.00 0.00 C ATOM 1709 C GLU A 108 9.299 3.068 -8.203 1.00 0.00 C ATOM 1710 O GLU A 108 8.291 3.444 -8.803 1.00 0.00 O ATOM 1711 CB GLU A 108 10.762 1.600 -9.608 1.00 0.00 C ATOM 1712 CG GLU A 108 12.005 1.458 -10.465 1.00 0.00 C ATOM 1713 CD GLU A 108 12.004 2.404 -11.646 1.00 0.00 C ATOM 1714 OE1 GLU A 108 11.289 2.125 -12.634 1.00 0.00 O ATOM 1715 OE2 GLU A 108 12.711 3.429 -11.594 1.00 0.00 O ATOM 0 H GLU A 108 12.267 2.284 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 108 10.690 3.746 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.763 0.818 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.882 1.439 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.888 1.646 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.079 0.432 -10.825 1.00 0.00 H new ATOM 1722 N LEU A 109 9.295 2.732 -6.919 1.00 0.00 N ATOM 1723 CA LEU A 109 8.107 2.864 -6.082 1.00 0.00 C ATOM 1724 C LEU A 109 7.659 4.318 -6.038 1.00 0.00 C ATOM 1725 O LEU A 109 6.531 4.649 -6.408 1.00 0.00 O ATOM 1726 CB LEU A 109 8.414 2.375 -4.663 1.00 0.00 C ATOM 1727 CG LEU A 109 7.218 2.331 -3.710 1.00 0.00 C ATOM 1728 CD1 LEU A 109 6.177 1.345 -4.207 1.00 0.00 C ATOM 1729 CD2 LEU A 109 7.670 1.964 -2.305 1.00 0.00 C ATOM 0 H LEU A 109 10.110 2.362 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 109 7.307 2.258 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.843 1.375 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.177 3.022 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 109 6.766 3.322 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.334 1.327 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.831 1.649 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.618 0.350 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.807 1.937 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.146 0.984 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.381 2.708 -1.946 1.00 0.00 H new ATOM 1741 N LEU A 110 8.568 5.182 -5.598 1.00 0.00 N ATOM 1742 CA LEU A 110 8.307 6.616 -5.529 1.00 0.00 C ATOM 1743 C LEU A 110 8.007 7.173 -6.915 1.00 0.00 C ATOM 1744 O LEU A 110 7.237 8.124 -7.066 1.00 0.00 O ATOM 1745 CB LEU A 110 9.503 7.353 -4.924 1.00 0.00 C ATOM 1746 CG LEU A 110 9.875 6.934 -3.500 1.00 0.00 C ATOM 1747 CD1 LEU A 110 11.110 7.685 -3.030 1.00 0.00 C ATOM 1748 CD2 LEU A 110 8.714 7.175 -2.549 1.00 0.00 C ATOM 0 H LEU A 110 9.499 4.911 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 110 7.438 6.770 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.368 7.199 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.290 8.422 -4.927 1.00 0.00 H new ATOM 0 HG LEU A 110 10.099 5.867 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 110 11.360 7.375 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 110 11.945 7.463 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.911 8.757 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.999 6.870 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.458 8.234 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.851 6.593 -2.873 1.00 0.00 H new ATOM 1760 N LYS A 111 8.624 6.573 -7.920 1.00 0.00 N ATOM 1761 CA LYS A 111 8.402 6.961 -9.301 1.00 0.00 C ATOM 1762 C LYS A 111 6.942 6.732 -9.691 1.00 0.00 C ATOM 1763 O LYS A 111 6.267 7.640 -10.175 1.00 0.00 O ATOM 1764 CB LYS A 111 9.323 6.151 -10.216 1.00 0.00 C ATOM 1765 CG LYS A 111 9.319 6.601 -11.665 1.00 0.00 C ATOM 1766 CD LYS A 111 9.872 8.010 -11.808 1.00 0.00 C ATOM 1767 CE LYS A 111 10.100 8.373 -13.264 1.00 0.00 C ATOM 1768 NZ LYS A 111 11.074 7.456 -13.910 1.00 0.00 N ATOM 0 H LYS A 111 9.288 5.808 -7.802 1.00 0.00 H new ATOM 0 HA LYS A 111 8.627 8.022 -9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 111 10.341 6.211 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 111 9.028 5.103 -10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 111 9.915 5.912 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 111 8.302 6.566 -12.056 1.00 0.00 H new ATOM 0 HD2 LYS A 111 9.179 8.721 -11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 111 10.811 8.091 -11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 111 9.153 8.336 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 111 10.465 9.398 -13.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 11.488 7.920 -14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 11.829 7.220 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 10.588 6.585 -14.204 1.00 0.00 H new ATOM 1782 N LYS A 112 6.451 5.523 -9.446 1.00 0.00 N ATOM 1783 CA LYS A 112 5.108 5.148 -9.865 1.00 0.00 C ATOM 1784 C LYS A 112 4.021 5.872 -9.076 1.00 0.00 C ATOM 1785 O LYS A 112 2.993 6.235 -9.646 1.00 0.00 O ATOM 1786 CB LYS A 112 4.896 3.636 -9.770 1.00 0.00 C ATOM 1787 CG LYS A 112 5.445 2.867 -10.960 1.00 0.00 C ATOM 1788 CD LYS A 112 4.842 1.476 -11.032 1.00 0.00 C ATOM 1789 CE LYS A 112 5.262 0.744 -12.297 1.00 0.00 C ATOM 1790 NZ LYS A 112 6.716 0.442 -12.309 1.00 0.00 N ATOM 0 H LYS A 112 6.963 4.787 -8.960 1.00 0.00 H new ATOM 0 HA LYS A 112 5.022 5.456 -10.907 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.370 3.268 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.829 3.433 -9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.228 3.410 -11.880 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.530 2.794 -10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.151 0.900 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 112 3.755 1.549 -10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.698 -0.185 -12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.011 1.350 -13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.141 0.815 -13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.170 0.887 -11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.857 -0.588 -12.267 1.00 0.00 H new ATOM 1804 N VAL A 113 4.223 6.081 -7.778 1.00 0.00 N ATOM 1805 CA VAL A 113 3.237 6.745 -6.975 1.00 0.00 C ATOM 1806 C VAL A 113 3.039 8.192 -7.428 1.00 0.00 C ATOM 1807 O VAL A 113 1.910 8.678 -7.483 1.00 0.00 O ATOM 1808 CB VAL A 113 3.610 6.681 -5.485 1.00 0.00 C ATOM 1809 CG1 VAL A 113 3.657 5.241 -5.005 1.00 0.00 C ATOM 1810 CG2 VAL A 113 4.923 7.385 -5.194 1.00 0.00 C ATOM 0 H VAL A 113 5.063 5.796 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 113 2.290 6.222 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 113 2.831 7.209 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.923 5.218 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.679 4.779 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.403 4.690 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 113 5.146 7.314 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.723 6.913 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 113 4.844 8.434 -5.479 1.00 0.00 H new ATOM 1820 N LYS A 114 4.131 8.870 -7.779 1.00 0.00 N ATOM 1821 CA LYS A 114 4.039 10.232 -8.293 1.00 0.00 C ATOM 1822 C LYS A 114 3.363 10.263 -9.660 1.00 0.00 C ATOM 1823 O LYS A 114 2.646 11.207 -9.977 1.00 0.00 O ATOM 1824 CB LYS A 114 5.411 10.904 -8.362 1.00 0.00 C ATOM 1825 CG LYS A 114 5.965 11.275 -6.997 1.00 0.00 C ATOM 1826 CD LYS A 114 7.072 12.312 -7.105 1.00 0.00 C ATOM 1827 CE LYS A 114 7.526 12.774 -5.730 1.00 0.00 C ATOM 1828 NZ LYS A 114 8.418 13.961 -5.804 1.00 0.00 N ATOM 0 H LYS A 114 5.080 8.501 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 114 3.424 10.796 -7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 114 6.111 10.235 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.338 11.803 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.162 11.663 -6.371 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.349 10.382 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.918 11.890 -7.648 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.718 13.167 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.653 13.014 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.049 11.959 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 8.703 14.241 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 9.264 13.725 -6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.912 14.748 -6.258 1.00 0.00 H new ATOM 1842 N LEU A 115 3.593 9.231 -10.465 1.00 0.00 N ATOM 1843 CA LEU A 115 2.975 9.142 -11.786 1.00 0.00 C ATOM 1844 C LEU A 115 1.494 8.802 -11.668 1.00 0.00 C ATOM 1845 O LEU A 115 0.674 9.246 -12.473 1.00 0.00 O ATOM 1846 CB LEU A 115 3.684 8.087 -12.638 1.00 0.00 C ATOM 1847 CG LEU A 115 5.153 8.382 -12.954 1.00 0.00 C ATOM 1848 CD1 LEU A 115 5.772 7.230 -13.726 1.00 0.00 C ATOM 1849 CD2 LEU A 115 5.284 9.678 -13.740 1.00 0.00 C ATOM 0 H LEU A 115 4.200 8.446 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 115 3.072 10.114 -12.271 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.625 7.128 -12.123 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.142 7.978 -13.577 1.00 0.00 H new ATOM 0 HG LEU A 115 5.689 8.496 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.816 7.456 -13.942 1.00 0.00 H new ATOM 0 HD12 LEU A 115 5.714 6.320 -13.130 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.231 7.086 -14.661 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.336 9.869 -13.954 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.733 9.593 -14.676 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.878 10.502 -13.153 1.00 0.00 H new ATOM 1861 N GLY A 116 1.160 8.015 -10.653 1.00 0.00 N ATOM 1862 CA GLY A 116 -0.212 7.597 -10.445 1.00 0.00 C ATOM 1863 C GLY A 116 -1.116 8.736 -10.013 1.00 0.00 C ATOM 1864 O GLY A 116 -2.247 8.854 -10.490 1.00 0.00 O ATOM 0 H GLY A 116 1.822 7.656 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.598 7.163 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.237 6.813 -9.688 1.00 0.00 H new ATOM 1868 N VAL A 117 -0.626 9.578 -9.116 1.00 0.00 N ATOM 1869 CA VAL A 117 -1.410 10.710 -8.634 1.00 0.00 C ATOM 1870 C VAL A 117 -1.174 11.944 -9.495 1.00 0.00 C ATOM 1871 O VAL A 117 -1.986 12.869 -9.499 1.00 0.00 O ATOM 1872 CB VAL A 117 -1.083 11.052 -7.162 1.00 0.00 C ATOM 1873 CG1 VAL A 117 -1.367 9.866 -6.257 1.00 0.00 C ATOM 1874 CG2 VAL A 117 0.364 11.501 -7.008 1.00 0.00 C ATOM 0 H VAL A 117 0.306 9.502 -8.708 1.00 0.00 H new ATOM 0 HA VAL A 117 -2.457 10.414 -8.699 1.00 0.00 H new ATOM 0 HB VAL A 117 -1.728 11.879 -6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.130 10.130 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.421 9.597 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.755 9.019 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.563 11.734 -5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.030 10.702 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.536 12.388 -7.617 1.00 0.00 H new ATOM 1884 N GLU A 118 -0.064 11.928 -10.230 1.00 0.00 N ATOM 1885 CA GLU A 118 0.376 13.065 -11.030 1.00 0.00 C ATOM 1886 C GLU A 118 0.520 14.310 -10.152 1.00 0.00 C ATOM 1887 O GLU A 118 -0.388 15.141 -10.066 1.00 0.00 O ATOM 1888 CB GLU A 118 -0.578 13.326 -12.198 1.00 0.00 C ATOM 1889 CG GLU A 118 -0.073 14.389 -13.158 1.00 0.00 C ATOM 1890 CD GLU A 118 -1.032 14.649 -14.297 1.00 0.00 C ATOM 1891 OE1 GLU A 118 -1.956 15.473 -14.124 1.00 0.00 O ATOM 1892 OE2 GLU A 118 -0.861 14.040 -15.374 1.00 0.00 O ATOM 0 H GLU A 118 0.557 11.121 -10.286 1.00 0.00 H new ATOM 0 HA GLU A 118 1.352 12.825 -11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -0.735 12.396 -12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.548 13.632 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 118 0.095 15.317 -12.611 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.890 14.079 -13.563 1.00 0.00 H new