USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-1.6!) USER MOD Single : A 10 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.32) USER MOD Single : A 12 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.034) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.869 K(o=0.87,f=-0.38) USER MOD Single : A 23 THR OG1 : rot 75:sc= 0.111 USER MOD Single : A 24 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-3.8) USER MOD Single : A 27 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=0.000243 USER MOD Single : A 29 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.68 K(o=-1.7,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.57) USER MOD Single : A 40 TYR OH : rot -107:sc= 0.281 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 104:sc= -2.1 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0106 X(o=-0.011,f=-0.4) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= -0.596 (180deg=-1.27) USER MOD Single : A 67 GLN : amide:sc= 0.00648 K(o=0.0065,f=-5.6!) USER MOD Single : A 68 SER OG : rot 89:sc= 0.0291 USER MOD Single : A 69 LYS NZ :NH3+ -125:sc= 0.446 (180deg=-1.97!) USER MOD Single : A 74 SER OG : rot 150:sc= -0.69 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.2) USER MOD Single : A 88 TYR OH : rot -177:sc= -0.272 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.815 11.108 9.584 1.00 0.00 N ATOM 69 CA HIS A 8 -7.113 10.468 8.476 1.00 0.00 C ATOM 70 C HIS A 8 -8.048 9.538 7.706 1.00 0.00 C ATOM 71 O HIS A 8 -7.996 8.319 7.869 1.00 0.00 O ATOM 72 CB HIS A 8 -5.907 9.684 8.994 1.00 0.00 C ATOM 73 CG HIS A 8 -5.021 10.478 9.904 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.630 10.058 11.156 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.445 11.695 9.721 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.848 11.009 11.683 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.704 12.024 10.852 1.00 0.00 N ATOM 0 HA HIS A 8 -6.766 11.248 7.798 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.260 8.800 9.525 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.320 9.333 8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.546 12.309 8.838 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.394 10.953 12.661 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.162 12.874 11.007 1.00 0.00 H new ATOM 85 N PRO A 9 -8.921 10.105 6.855 1.00 0.00 N ATOM 86 CA PRO A 9 -9.871 9.319 6.060 1.00 0.00 C ATOM 87 C PRO A 9 -9.190 8.205 5.271 1.00 0.00 C ATOM 88 O PRO A 9 -9.822 7.211 4.913 1.00 0.00 O ATOM 89 CB PRO A 9 -10.478 10.353 5.108 1.00 0.00 C ATOM 90 CG PRO A 9 -10.327 11.655 5.815 1.00 0.00 C ATOM 91 CD PRO A 9 -9.051 11.553 6.603 1.00 0.00 C ATOM 0 HA PRO A 9 -10.604 8.813 6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.959 10.361 4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.526 10.134 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.282 12.481 5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.177 11.844 6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.200 11.942 6.043 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.106 12.120 7.533 1.00 0.00 H new ATOM 99 N HIS A 10 -7.900 8.376 5.000 1.00 0.00 N ATOM 100 CA HIS A 10 -7.137 7.384 4.251 1.00 0.00 C ATOM 101 C HIS A 10 -6.504 6.359 5.187 1.00 0.00 C ATOM 102 O HIS A 10 -6.532 5.158 4.918 1.00 0.00 O ATOM 103 CB HIS A 10 -6.053 8.068 3.417 1.00 0.00 C ATOM 104 CG HIS A 10 -6.595 8.880 2.282 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.707 10.253 2.305 1.00 0.00 N ATOM 106 CD2 HIS A 10 -7.061 8.487 1.070 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.226 10.642 1.133 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.459 9.608 0.347 1.00 0.00 N ATOM 0 H HIS A 10 -7.361 9.193 5.288 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.825 6.863 3.585 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.461 8.714 4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.378 7.309 3.021 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.115 7.466 0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.428 11.669 0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.850 9.626 -0.595 1.00 0.00 H new ATOM 116 N ILE A 11 -5.929 6.840 6.284 1.00 0.00 N ATOM 117 CA ILE A 11 -5.286 5.964 7.257 1.00 0.00 C ATOM 118 C ILE A 11 -6.318 5.176 8.057 1.00 0.00 C ATOM 119 O ILE A 11 -6.096 4.015 8.400 1.00 0.00 O ATOM 120 CB ILE A 11 -4.397 6.761 8.230 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.475 7.705 7.459 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.586 5.814 9.103 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.568 8.527 8.349 1.00 0.00 C ATOM 0 H ILE A 11 -5.895 7.831 6.522 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.663 5.270 6.693 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.039 7.360 8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.863 7.121 6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.082 8.377 6.853 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.963 6.392 9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.262 5.180 9.677 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.952 5.191 8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.943 9.173 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.172 9.138 9.019 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.935 7.862 8.937 1.00 0.00 H new ATOM 135 N GLN A 12 -7.445 5.815 8.352 1.00 0.00 N ATOM 136 CA GLN A 12 -8.510 5.173 9.113 1.00 0.00 C ATOM 137 C GLN A 12 -9.095 3.993 8.345 1.00 0.00 C ATOM 138 O GLN A 12 -9.436 2.964 8.930 1.00 0.00 O ATOM 139 CB GLN A 12 -9.613 6.182 9.438 1.00 0.00 C ATOM 140 CG GLN A 12 -10.229 5.989 10.814 1.00 0.00 C ATOM 141 CD GLN A 12 -11.125 4.768 10.884 1.00 0.00 C ATOM 142 OE1 GLN A 12 -12.213 4.748 10.308 1.00 0.00 O ATOM 143 NE2 GLN A 12 -10.672 3.740 11.592 1.00 0.00 N ATOM 0 H GLN A 12 -7.644 6.776 8.076 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.082 4.800 10.043 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.203 7.190 9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.397 6.106 8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.434 5.895 11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.807 6.875 11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.764 3.799 12.053 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.232 2.891 11.674 1.00 0.00 H new ATOM 152 N LEU A 13 -9.211 4.148 7.030 1.00 0.00 N ATOM 153 CA LEU A 13 -9.755 3.094 6.181 1.00 0.00 C ATOM 154 C LEU A 13 -8.900 1.833 6.261 1.00 0.00 C ATOM 155 O LEU A 13 -9.407 0.719 6.129 1.00 0.00 O ATOM 156 CB LEU A 13 -9.845 3.574 4.731 1.00 0.00 C ATOM 157 CG LEU A 13 -11.011 4.518 4.433 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.852 5.143 3.056 1.00 0.00 C ATOM 159 CD2 LEU A 13 -12.334 3.776 4.535 1.00 0.00 C ATOM 0 H LEU A 13 -8.936 4.993 6.529 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.756 2.854 6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.914 4.078 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.927 2.703 4.080 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.007 5.317 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.690 5.812 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.921 5.708 3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.831 4.358 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.153 4.462 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.348 2.957 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.450 3.376 5.542 1.00 0.00 H new ATOM 171 N LEU A 14 -7.602 2.017 6.477 1.00 0.00 N ATOM 172 CA LEU A 14 -6.677 0.894 6.575 1.00 0.00 C ATOM 173 C LEU A 14 -6.733 0.260 7.961 1.00 0.00 C ATOM 174 O LEU A 14 -6.780 -0.963 8.094 1.00 0.00 O ATOM 175 CB LEU A 14 -5.250 1.353 6.269 1.00 0.00 C ATOM 176 CG LEU A 14 -5.055 1.985 4.890 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.787 2.823 4.862 1.00 0.00 C ATOM 178 CD2 LEU A 14 -5.010 0.910 3.815 1.00 0.00 C ATOM 0 H LEU A 14 -7.167 2.933 6.588 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.976 0.146 5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.946 2.073 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.582 0.496 6.357 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.902 2.640 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.665 3.265 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.858 3.615 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.928 2.191 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.871 1.376 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.181 0.231 4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.946 0.351 3.820 1.00 0.00 H new ATOM 190 N LYS A 15 -6.729 1.100 8.990 1.00 0.00 N ATOM 191 CA LYS A 15 -6.779 0.623 10.367 1.00 0.00 C ATOM 192 C LYS A 15 -8.049 -0.183 10.619 1.00 0.00 C ATOM 193 O LYS A 15 -8.000 -1.281 11.173 1.00 0.00 O ATOM 194 CB LYS A 15 -6.709 1.801 11.340 1.00 0.00 C ATOM 195 CG LYS A 15 -5.297 2.316 11.572 1.00 0.00 C ATOM 196 CD LYS A 15 -5.267 3.406 12.632 1.00 0.00 C ATOM 197 CE LYS A 15 -4.378 4.566 12.213 1.00 0.00 C ATOM 198 NZ LYS A 15 -4.742 5.826 12.918 1.00 0.00 N ATOM 0 H LYS A 15 -6.692 2.115 8.897 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.919 -0.027 10.530 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.325 2.615 10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.138 1.498 12.295 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.654 1.491 11.879 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.893 2.705 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.279 3.768 12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.906 2.990 13.573 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.337 4.320 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.459 4.716 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.113 6.593 12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.728 6.075 12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.640 5.692 13.944 1.00 0.00 H new ATOM 212 N SER A 16 -9.185 0.369 10.207 1.00 0.00 N ATOM 213 CA SER A 16 -10.469 -0.298 10.390 1.00 0.00 C ATOM 214 C SER A 16 -10.575 -1.529 9.495 1.00 0.00 C ATOM 215 O SER A 16 -11.069 -2.574 9.917 1.00 0.00 O ATOM 216 CB SER A 16 -11.617 0.668 10.087 1.00 0.00 C ATOM 217 OG SER A 16 -12.650 0.551 11.050 1.00 0.00 O ATOM 0 H SER A 16 -9.243 1.276 9.744 1.00 0.00 H new ATOM 0 HA SER A 16 -10.539 -0.620 11.429 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.242 1.691 10.074 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.017 0.463 9.094 1.00 0.00 H new ATOM 0 HG SER A 16 -13.370 1.180 10.835 1.00 0.00 H new ATOM 223 N ASN A 17 -10.105 -1.398 8.258 1.00 0.00 N ATOM 224 CA ASN A 17 -10.148 -2.501 7.304 1.00 0.00 C ATOM 225 C ASN A 17 -8.762 -3.109 7.114 1.00 0.00 C ATOM 226 O ASN A 17 -8.371 -3.455 5.999 1.00 0.00 O ATOM 227 CB ASN A 17 -10.696 -2.019 5.960 1.00 0.00 C ATOM 228 CG ASN A 17 -11.974 -1.217 6.110 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.010 -1.747 6.513 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.908 0.069 5.785 1.00 0.00 N ATOM 0 H ASN A 17 -9.691 -0.540 7.893 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.810 -3.269 7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.943 -1.408 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.884 -2.879 5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.737 0.658 5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.029 0.467 5.455 1.00 0.00 H new ATOM 237 N ARG A 18 -8.022 -3.239 8.211 1.00 0.00 N ATOM 238 CA ARG A 18 -6.679 -3.807 8.165 1.00 0.00 C ATOM 239 C ARG A 18 -6.733 -5.312 7.926 1.00 0.00 C ATOM 240 O ARG A 18 -6.189 -5.815 6.942 1.00 0.00 O ATOM 241 CB ARG A 18 -5.933 -3.512 9.467 1.00 0.00 C ATOM 242 CG ARG A 18 -4.421 -3.603 9.335 1.00 0.00 C ATOM 243 CD ARG A 18 -3.739 -3.543 10.693 1.00 0.00 C ATOM 244 NE ARG A 18 -3.569 -2.170 11.161 1.00 0.00 N ATOM 245 CZ ARG A 18 -2.705 -1.810 12.107 1.00 0.00 C ATOM 246 NH1 ARG A 18 -1.933 -2.719 12.691 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.613 -0.539 12.472 1.00 0.00 N ATOM 0 H ARG A 18 -8.330 -2.959 9.142 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.144 -3.345 7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.200 -2.513 9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.265 -4.212 10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.154 -4.533 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.060 -2.787 8.709 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.328 -4.103 11.419 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.765 -4.028 10.631 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.147 -1.444 10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.001 -3.699 12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.272 -2.438 13.416 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.205 0.163 12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.951 -0.263 13.197 1.00 0.00 H new ATOM 261 N GLU A 19 -7.393 -6.028 8.832 1.00 0.00 N ATOM 262 CA GLU A 19 -7.517 -7.476 8.718 1.00 0.00 C ATOM 263 C GLU A 19 -8.237 -7.860 7.430 1.00 0.00 C ATOM 264 O GLU A 19 -7.972 -8.911 6.847 1.00 0.00 O ATOM 265 CB GLU A 19 -8.270 -8.039 9.924 1.00 0.00 C ATOM 266 CG GLU A 19 -7.387 -8.270 11.139 1.00 0.00 C ATOM 267 CD GLU A 19 -7.780 -9.509 11.920 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.987 -9.681 12.192 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.882 -10.307 12.259 1.00 0.00 O ATOM 0 H GLU A 19 -7.849 -5.629 9.652 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.514 -7.902 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.072 -7.352 10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.739 -8.982 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.350 -8.362 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.442 -7.400 11.794 1.00 0.00 H new ATOM 276 N LEU A 20 -9.150 -6.999 6.990 1.00 0.00 N ATOM 277 CA LEU A 20 -9.909 -7.248 5.769 1.00 0.00 C ATOM 278 C LEU A 20 -9.000 -7.206 4.546 1.00 0.00 C ATOM 279 O LEU A 20 -9.224 -7.920 3.568 1.00 0.00 O ATOM 280 CB LEU A 20 -11.028 -6.215 5.622 1.00 0.00 C ATOM 281 CG LEU A 20 -12.026 -6.500 4.497 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.268 -7.186 5.045 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.399 -5.213 3.776 1.00 0.00 C ATOM 0 H LEU A 20 -9.382 -6.124 7.460 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.348 -8.243 5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.573 -6.155 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.579 -5.237 5.450 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.553 -7.171 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.966 -7.380 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.986 -8.129 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.744 -6.541 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.109 -5.435 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.852 -4.518 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.503 -4.763 3.348 1.00 0.00 H new ATOM 295 N LEU A 21 -7.973 -6.364 4.606 1.00 0.00 N ATOM 296 CA LEU A 21 -7.030 -6.229 3.503 1.00 0.00 C ATOM 297 C LEU A 21 -6.030 -7.379 3.496 1.00 0.00 C ATOM 298 O LEU A 21 -5.554 -7.795 2.440 1.00 0.00 O ATOM 299 CB LEU A 21 -6.287 -4.894 3.601 1.00 0.00 C ATOM 300 CG LEU A 21 -7.089 -3.672 3.151 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.365 -2.391 3.533 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.334 -3.721 1.650 1.00 0.00 C ATOM 0 H LEU A 21 -7.773 -5.765 5.407 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.595 -6.257 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.975 -4.744 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.380 -4.956 3.000 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.054 -3.685 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.949 -1.531 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.239 -2.353 4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.387 -2.369 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.906 -2.844 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.379 -3.731 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.893 -4.623 1.402 1.00 0.00 H new ATOM 314 N VAL A 22 -5.715 -7.891 4.682 1.00 0.00 N ATOM 315 CA VAL A 22 -4.772 -8.995 4.812 1.00 0.00 C ATOM 316 C VAL A 22 -5.295 -10.251 4.120 1.00 0.00 C ATOM 317 O VAL A 22 -4.517 -11.070 3.631 1.00 0.00 O ATOM 318 CB VAL A 22 -4.485 -9.318 6.291 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.383 -10.361 6.407 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.113 -8.055 7.054 1.00 0.00 C ATOM 0 H VAL A 22 -6.099 -7.558 5.566 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.847 -8.678 4.331 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.392 -9.729 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.195 -10.576 7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.692 -11.275 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.472 -9.980 5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.914 -8.305 8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.221 -7.611 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.937 -7.343 7.002 1.00 0.00 H new ATOM 330 N THR A 23 -6.615 -10.394 4.083 1.00 0.00 N ATOM 331 CA THR A 23 -7.240 -11.551 3.452 1.00 0.00 C ATOM 332 C THR A 23 -7.591 -11.256 1.997 1.00 0.00 C ATOM 333 O THR A 23 -7.505 -12.133 1.137 1.00 0.00 O ATOM 334 CB THR A 23 -8.500 -11.957 4.218 1.00 0.00 C ATOM 335 OG1 THR A 23 -8.312 -11.797 5.613 1.00 0.00 O ATOM 336 CG2 THR A 23 -8.914 -13.393 3.973 1.00 0.00 C ATOM 0 H THR A 23 -7.273 -9.724 4.482 1.00 0.00 H new ATOM 0 HA THR A 23 -6.526 -12.374 3.475 1.00 0.00 H new ATOM 0 HB THR A 23 -9.287 -11.301 3.847 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.351 -10.845 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.814 -13.615 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.115 -13.538 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.111 -14.061 4.285 1.00 0.00 H new ATOM 344 N HIS A 24 -7.986 -10.016 1.728 1.00 0.00 N ATOM 345 CA HIS A 24 -8.351 -9.606 0.377 1.00 0.00 C ATOM 346 C HIS A 24 -7.123 -9.557 -0.528 1.00 0.00 C ATOM 347 O HIS A 24 -7.070 -10.231 -1.556 1.00 0.00 O ATOM 348 CB HIS A 24 -9.033 -8.237 0.402 1.00 0.00 C ATOM 349 CG HIS A 24 -10.466 -8.288 0.836 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.233 -9.433 0.823 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.273 -7.302 1.303 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.455 -9.114 1.272 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.531 -7.833 1.577 1.00 0.00 N ATOM 0 H HIS A 24 -8.062 -9.278 2.428 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.047 -10.344 -0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.482 -7.578 1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.979 -7.795 -0.593 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.986 -6.270 1.440 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.271 -9.815 1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.344 -7.334 1.939 1.00 0.00 H new ATOM 361 N ILE A 25 -6.139 -8.754 -0.137 1.00 0.00 N ATOM 362 CA ILE A 25 -4.913 -8.616 -0.913 1.00 0.00 C ATOM 363 C ILE A 25 -4.029 -9.850 -0.770 1.00 0.00 C ATOM 364 O ILE A 25 -3.656 -10.235 0.338 1.00 0.00 O ATOM 365 CB ILE A 25 -4.112 -7.372 -0.482 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.020 -6.142 -0.447 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.937 -7.145 -1.423 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.351 -4.912 0.128 1.00 0.00 C ATOM 0 H ILE A 25 -6.167 -8.189 0.712 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.210 -8.505 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.720 -7.540 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.359 -5.922 -1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.907 -6.372 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.381 -6.263 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.280 -8.015 -1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.307 -6.995 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.054 -4.079 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.037 -5.114 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.480 -4.656 -0.475 1.00 0.00 H new ATOM 380 N ARG A 26 -3.698 -10.468 -1.900 1.00 0.00 N ATOM 381 CA ARG A 26 -2.858 -11.660 -1.901 1.00 0.00 C ATOM 382 C ARG A 26 -1.466 -11.344 -2.441 1.00 0.00 C ATOM 383 O ARG A 26 -0.473 -11.926 -2.004 1.00 0.00 O ATOM 384 CB ARG A 26 -3.504 -12.764 -2.740 1.00 0.00 C ATOM 385 CG ARG A 26 -3.258 -14.163 -2.199 1.00 0.00 C ATOM 386 CD ARG A 26 -3.126 -15.181 -3.321 1.00 0.00 C ATOM 387 NE ARG A 26 -4.346 -15.968 -3.492 1.00 0.00 N ATOM 388 CZ ARG A 26 -4.439 -17.022 -4.300 1.00 0.00 C ATOM 389 NH1 ARG A 26 -3.392 -17.417 -5.013 1.00 0.00 N ATOM 390 NH2 ARG A 26 -5.585 -17.683 -4.396 1.00 0.00 N ATOM 0 H ARG A 26 -3.999 -10.163 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.760 -12.006 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.578 -12.587 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.122 -12.705 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.350 -14.166 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.079 -14.449 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.893 -14.666 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.291 -15.848 -3.109 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.173 -15.694 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.508 -16.912 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.471 -18.225 -5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.394 -17.384 -3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.658 -18.491 -5.015 1.00 0.00 H new ATOM 404 N ASN A 27 -1.402 -10.417 -3.391 1.00 0.00 N ATOM 405 CA ASN A 27 -0.132 -10.023 -3.990 1.00 0.00 C ATOM 406 C ASN A 27 0.390 -8.736 -3.359 1.00 0.00 C ATOM 407 O ASN A 27 -0.179 -7.662 -3.552 1.00 0.00 O ATOM 408 CB ASN A 27 -0.291 -9.837 -5.500 1.00 0.00 C ATOM 409 CG ASN A 27 -0.442 -11.155 -6.233 1.00 0.00 C ATOM 410 OD1 ASN A 27 -1.420 -11.372 -6.949 1.00 0.00 O ATOM 411 ND2 ASN A 27 0.527 -12.045 -6.057 1.00 0.00 N ATOM 0 H ASN A 27 -2.214 -9.925 -3.763 1.00 0.00 H new ATOM 0 HA ASN A 27 0.591 -10.817 -3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.163 -9.213 -5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.576 -9.305 -5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.479 -12.950 -6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.320 -11.823 -5.455 1.00 0.00 H new ATOM 418 N THR A 28 1.477 -8.853 -2.603 1.00 0.00 N ATOM 419 CA THR A 28 2.077 -7.699 -1.942 1.00 0.00 C ATOM 420 C THR A 28 3.261 -7.166 -2.742 1.00 0.00 C ATOM 421 O THR A 28 3.549 -5.970 -2.722 1.00 0.00 O ATOM 422 CB THR A 28 2.529 -8.072 -0.530 1.00 0.00 C ATOM 423 OG1 THR A 28 3.353 -9.224 -0.555 1.00 0.00 O ATOM 424 CG2 THR A 28 1.378 -8.350 0.412 1.00 0.00 C ATOM 0 H THR A 28 1.960 -9.735 -2.433 1.00 0.00 H new ATOM 0 HA THR A 28 1.322 -6.915 -1.880 1.00 0.00 H new ATOM 0 HB THR A 28 3.076 -7.204 -0.163 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.633 -9.446 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.768 -8.609 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.751 -7.462 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.785 -9.180 0.027 1.00 0.00 H new ATOM 432 N GLN A 29 3.945 -8.062 -3.447 1.00 0.00 N ATOM 433 CA GLN A 29 5.099 -7.683 -4.254 1.00 0.00 C ATOM 434 C GLN A 29 4.721 -6.626 -5.287 1.00 0.00 C ATOM 435 O GLN A 29 5.488 -5.700 -5.552 1.00 0.00 O ATOM 436 CB GLN A 29 5.683 -8.913 -4.954 1.00 0.00 C ATOM 437 CG GLN A 29 6.822 -9.564 -4.189 1.00 0.00 C ATOM 438 CD GLN A 29 8.135 -8.824 -4.356 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.773 -8.439 -3.376 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.545 -8.619 -5.602 1.00 0.00 N ATOM 0 H GLN A 29 3.720 -9.056 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 29 5.852 -7.259 -3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.891 -9.646 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.039 -8.623 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.566 -9.607 -3.130 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.943 -10.592 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.985 -8.955 -6.385 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.420 -8.125 -5.776 1.00 0.00 H new ATOM 449 N CYS A 30 3.533 -6.770 -5.867 1.00 0.00 N ATOM 450 CA CYS A 30 3.053 -5.827 -6.870 1.00 0.00 C ATOM 451 C CYS A 30 2.964 -4.418 -6.294 1.00 0.00 C ATOM 452 O CYS A 30 3.276 -3.439 -6.971 1.00 0.00 O ATOM 453 CB CYS A 30 1.686 -6.266 -7.400 1.00 0.00 C ATOM 454 SG CYS A 30 1.741 -7.039 -9.033 1.00 0.00 S ATOM 0 H CYS A 30 2.886 -7.531 -5.659 1.00 0.00 H new ATOM 0 HA CYS A 30 3.766 -5.816 -7.694 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.242 -6.967 -6.693 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.029 -5.397 -7.443 1.00 0.00 H new ATOM 0 HG CYS A 30 0.539 -7.377 -9.394 1.00 0.00 H new ATOM 460 N LEU A 31 2.536 -4.323 -5.040 1.00 0.00 N ATOM 461 CA LEU A 31 2.405 -3.033 -4.372 1.00 0.00 C ATOM 462 C LEU A 31 3.774 -2.410 -4.119 1.00 0.00 C ATOM 463 O LEU A 31 4.008 -1.247 -4.446 1.00 0.00 O ATOM 464 CB LEU A 31 1.652 -3.194 -3.051 1.00 0.00 C ATOM 465 CG LEU A 31 0.340 -3.975 -3.143 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.292 -4.119 -1.767 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.620 -3.292 -4.104 1.00 0.00 C ATOM 0 H LEU A 31 2.274 -5.124 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 31 1.839 -2.369 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.306 -3.695 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.440 -2.203 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 31 0.558 -4.972 -3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.224 -4.677 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.392 -4.652 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.497 -3.131 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.548 -3.861 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.833 -2.283 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.168 -3.241 -5.095 1.00 0.00 H new ATOM 479 N VAL A 32 4.675 -3.192 -3.532 1.00 0.00 N ATOM 480 CA VAL A 32 6.020 -2.717 -3.234 1.00 0.00 C ATOM 481 C VAL A 32 6.760 -2.321 -4.507 1.00 0.00 C ATOM 482 O VAL A 32 7.496 -1.334 -4.528 1.00 0.00 O ATOM 483 CB VAL A 32 6.841 -3.787 -2.490 1.00 0.00 C ATOM 484 CG1 VAL A 32 8.166 -3.210 -2.015 1.00 0.00 C ATOM 485 CG2 VAL A 32 6.048 -4.352 -1.322 1.00 0.00 C ATOM 0 H VAL A 32 4.497 -4.157 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 32 5.910 -1.842 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 32 7.054 -4.601 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.732 -3.981 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.739 -2.859 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.978 -2.376 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.644 -5.106 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.802 -3.549 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.129 -4.806 -1.692 1.00 0.00 H new ATOM 495 N ASP A 33 6.559 -3.095 -5.568 1.00 0.00 N ATOM 496 CA ASP A 33 7.208 -2.825 -6.845 1.00 0.00 C ATOM 497 C ASP A 33 6.811 -1.452 -7.378 1.00 0.00 C ATOM 498 O ASP A 33 7.664 -0.660 -7.779 1.00 0.00 O ATOM 499 CB ASP A 33 6.844 -3.906 -7.865 1.00 0.00 C ATOM 500 CG ASP A 33 8.029 -4.320 -8.716 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.763 -5.242 -8.304 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.222 -3.721 -9.795 1.00 0.00 O ATOM 0 H ASP A 33 5.952 -3.914 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 33 8.286 -2.835 -6.685 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.453 -4.779 -7.342 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.047 -3.538 -8.511 1.00 0.00 H new ATOM 507 N ASN A 34 5.510 -1.176 -7.378 1.00 0.00 N ATOM 508 CA ASN A 34 5.001 0.102 -7.859 1.00 0.00 C ATOM 509 C ASN A 34 5.420 1.240 -6.935 1.00 0.00 C ATOM 510 O ASN A 34 5.815 2.312 -7.392 1.00 0.00 O ATOM 511 CB ASN A 34 3.475 0.056 -7.972 1.00 0.00 C ATOM 512 CG ASN A 34 2.989 -1.150 -8.750 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.679 -1.649 -9.640 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.794 -1.625 -8.420 1.00 0.00 N ATOM 0 H ASN A 34 4.790 -1.820 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 34 5.427 0.286 -8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.040 0.040 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.122 0.965 -8.459 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.414 -2.434 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.256 -1.180 -7.676 1.00 0.00 H new ATOM 521 N LEU A 35 5.332 0.998 -5.631 1.00 0.00 N ATOM 522 CA LEU A 35 5.703 2.003 -4.641 1.00 0.00 C ATOM 523 C LEU A 35 7.179 2.366 -4.763 1.00 0.00 C ATOM 524 O LEU A 35 7.562 3.522 -4.587 1.00 0.00 O ATOM 525 CB LEU A 35 5.406 1.494 -3.229 1.00 0.00 C ATOM 526 CG LEU A 35 3.923 1.454 -2.854 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.667 0.387 -1.802 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.465 2.817 -2.356 1.00 0.00 C ATOM 0 H LEU A 35 5.007 0.116 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 35 5.110 2.898 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.818 0.490 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.929 2.128 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 35 3.348 1.201 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.607 0.373 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.959 -0.587 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.251 0.609 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.408 2.772 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.046 3.097 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.613 3.559 -3.140 1.00 0.00 H new ATOM 540 N LEU A 36 8.005 1.370 -5.065 1.00 0.00 N ATOM 541 CA LEU A 36 9.440 1.583 -5.212 1.00 0.00 C ATOM 542 C LEU A 36 9.748 2.355 -6.491 1.00 0.00 C ATOM 543 O LEU A 36 10.538 3.299 -6.483 1.00 0.00 O ATOM 544 CB LEU A 36 10.178 0.243 -5.220 1.00 0.00 C ATOM 545 CG LEU A 36 10.361 -0.404 -3.847 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.912 -1.814 -3.989 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.277 0.444 -2.977 1.00 0.00 C ATOM 0 H LEU A 36 7.705 0.406 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 36 9.783 2.173 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.634 -0.450 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.160 0.389 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 36 9.386 -0.465 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.035 -2.258 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.219 -2.418 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.877 -1.778 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.396 -0.031 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.251 0.537 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.841 1.434 -2.846 1.00 0.00 H new ATOM 559 N LYS A 37 9.116 1.949 -7.588 1.00 0.00 N ATOM 560 CA LYS A 37 9.322 2.604 -8.875 1.00 0.00 C ATOM 561 C LYS A 37 8.898 4.068 -8.812 1.00 0.00 C ATOM 562 O LYS A 37 9.536 4.936 -9.407 1.00 0.00 O ATOM 563 CB LYS A 37 8.540 1.879 -9.971 1.00 0.00 C ATOM 564 CG LYS A 37 9.287 1.785 -11.291 1.00 0.00 C ATOM 565 CD LYS A 37 8.398 1.240 -12.397 1.00 0.00 C ATOM 566 CE LYS A 37 7.857 2.355 -13.278 1.00 0.00 C ATOM 567 NZ LYS A 37 6.849 1.853 -14.252 1.00 0.00 N ATOM 0 H LYS A 37 8.458 1.170 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 37 10.385 2.562 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.298 0.873 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.595 2.397 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.656 2.771 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.158 1.141 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.964 0.536 -13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.568 0.686 -11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.405 3.125 -12.653 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.680 2.824 -13.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.505 2.643 -14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.286 1.136 -14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.051 1.428 -13.738 1.00 0.00 H new ATOM 581 N ASN A 38 7.817 4.334 -8.086 1.00 0.00 N ATOM 582 CA ASN A 38 7.307 5.692 -7.942 1.00 0.00 C ATOM 583 C ASN A 38 8.061 6.459 -6.855 1.00 0.00 C ATOM 584 O ASN A 38 7.765 7.623 -6.589 1.00 0.00 O ATOM 585 CB ASN A 38 5.813 5.663 -7.615 1.00 0.00 C ATOM 586 CG ASN A 38 4.955 5.464 -8.848 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.126 6.309 -9.186 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.147 4.339 -9.527 1.00 0.00 N ATOM 0 H ASN A 38 7.277 3.626 -7.588 1.00 0.00 H new ATOM 0 HA ASN A 38 7.461 6.207 -8.890 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.615 4.860 -6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.532 6.597 -7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.596 4.148 -10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.845 3.666 -9.211 1.00 0.00 H new ATOM 595 N ASP A 39 9.036 5.801 -6.227 1.00 0.00 N ATOM 596 CA ASP A 39 9.824 6.427 -5.172 1.00 0.00 C ATOM 597 C ASP A 39 8.948 6.770 -3.971 1.00 0.00 C ATOM 598 O ASP A 39 8.820 7.935 -3.591 1.00 0.00 O ATOM 599 CB ASP A 39 10.515 7.688 -5.698 1.00 0.00 C ATOM 600 CG ASP A 39 11.929 7.415 -6.173 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.670 6.710 -5.456 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.295 7.908 -7.260 1.00 0.00 O ATOM 0 H ASP A 39 9.297 4.836 -6.432 1.00 0.00 H new ATOM 0 HA ASP A 39 10.585 5.716 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.932 8.103 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.538 8.442 -4.911 1.00 0.00 H new ATOM 607 N TYR A 40 8.347 5.745 -3.374 1.00 0.00 N ATOM 608 CA TYR A 40 7.482 5.933 -2.215 1.00 0.00 C ATOM 609 C TYR A 40 8.025 5.178 -1.005 1.00 0.00 C ATOM 610 O TYR A 40 8.126 5.732 0.090 1.00 0.00 O ATOM 611 CB TYR A 40 6.063 5.459 -2.529 1.00 0.00 C ATOM 612 CG TYR A 40 5.178 6.538 -3.112 1.00 0.00 C ATOM 613 CD1 TYR A 40 4.426 7.367 -2.287 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.093 6.728 -4.485 1.00 0.00 C ATOM 615 CE1 TYR A 40 3.616 8.354 -2.815 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.285 7.713 -5.021 1.00 0.00 C ATOM 617 CZ TYR A 40 3.549 8.523 -4.182 1.00 0.00 C ATOM 618 OH TYR A 40 2.744 9.505 -4.712 1.00 0.00 O ATOM 0 H TYR A 40 8.444 4.775 -3.674 1.00 0.00 H new ATOM 0 HA TYR A 40 7.458 6.997 -1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.114 4.625 -3.229 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.605 5.080 -1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.476 7.237 -1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.668 6.095 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.038 8.990 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.230 7.848 -6.091 1.00 0.00 H new ATOM 0 HH TYR A 40 1.953 9.095 -5.120 1.00 0.00 H new ATOM 628 N PHE A 41 8.374 3.913 -1.213 1.00 0.00 N ATOM 629 CA PHE A 41 8.908 3.082 -0.140 1.00 0.00 C ATOM 630 C PHE A 41 10.433 3.128 -0.125 1.00 0.00 C ATOM 631 O PHE A 41 11.051 3.834 -0.923 1.00 0.00 O ATOM 632 CB PHE A 41 8.429 1.638 -0.302 1.00 0.00 C ATOM 633 CG PHE A 41 7.235 1.304 0.547 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.106 2.106 0.522 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.241 0.188 1.368 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.006 1.803 1.302 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.144 -0.121 2.149 1.00 0.00 C ATOM 638 CZ PHE A 41 5.025 0.687 2.116 1.00 0.00 C ATOM 0 H PHE A 41 8.297 3.441 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 41 8.543 3.474 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.182 1.461 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.246 0.962 -0.049 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.085 2.978 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.113 -0.448 1.398 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.133 2.438 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.162 -0.994 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.166 0.447 2.725 1.00 0.00 H new ATOM 648 N SER A 42 11.034 2.372 0.787 1.00 0.00 N ATOM 649 CA SER A 42 12.487 2.327 0.906 1.00 0.00 C ATOM 650 C SER A 42 12.978 0.888 1.035 1.00 0.00 C ATOM 651 O SER A 42 12.191 -0.029 1.264 1.00 0.00 O ATOM 652 CB SER A 42 12.945 3.145 2.114 1.00 0.00 C ATOM 653 OG SER A 42 12.287 4.399 2.162 1.00 0.00 O ATOM 0 H SER A 42 10.538 1.782 1.455 1.00 0.00 H new ATOM 0 HA SER A 42 12.915 2.758 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.743 2.590 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.023 3.298 2.065 1.00 0.00 H new ATOM 0 HG SER A 42 12.597 4.901 2.944 1.00 0.00 H new ATOM 659 N ALA A 43 14.286 0.700 0.885 1.00 0.00 N ATOM 660 CA ALA A 43 14.882 -0.627 0.986 1.00 0.00 C ATOM 661 C ALA A 43 14.619 -1.246 2.354 1.00 0.00 C ATOM 662 O ALA A 43 14.412 -2.454 2.471 1.00 0.00 O ATOM 663 CB ALA A 43 16.377 -0.555 0.716 1.00 0.00 C ATOM 0 H ALA A 43 14.952 1.449 0.693 1.00 0.00 H new ATOM 0 HA ALA A 43 14.417 -1.264 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.809 -1.552 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.547 -0.164 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.847 0.103 1.447 1.00 0.00 H new ATOM 669 N GLU A 44 14.626 -0.409 3.387 1.00 0.00 N ATOM 670 CA GLU A 44 14.387 -0.874 4.749 1.00 0.00 C ATOM 671 C GLU A 44 12.946 -1.344 4.918 1.00 0.00 C ATOM 672 O GLU A 44 12.686 -2.364 5.557 1.00 0.00 O ATOM 673 CB GLU A 44 14.693 0.239 5.752 1.00 0.00 C ATOM 674 CG GLU A 44 16.156 0.653 5.774 1.00 0.00 C ATOM 675 CD GLU A 44 16.388 2.012 5.145 1.00 0.00 C ATOM 676 OE1 GLU A 44 15.785 2.287 4.087 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.174 2.801 5.710 1.00 0.00 O ATOM 0 H GLU A 44 14.794 0.594 3.307 1.00 0.00 H new ATOM 0 HA GLU A 44 15.051 -1.717 4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.081 1.109 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.403 -0.092 6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.509 0.669 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.749 -0.094 5.245 1.00 0.00 H new ATOM 684 N ASP A 45 12.014 -0.593 4.341 1.00 0.00 N ATOM 685 CA ASP A 45 10.598 -0.932 4.429 1.00 0.00 C ATOM 686 C ASP A 45 10.315 -2.265 3.744 1.00 0.00 C ATOM 687 O ASP A 45 9.694 -3.154 4.327 1.00 0.00 O ATOM 688 CB ASP A 45 9.748 0.169 3.794 1.00 0.00 C ATOM 689 CG ASP A 45 9.895 1.498 4.510 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.820 2.261 4.161 1.00 0.00 O ATOM 691 OD2 ASP A 45 9.085 1.776 5.420 1.00 0.00 O ATOM 0 H ASP A 45 12.213 0.254 3.808 1.00 0.00 H new ATOM 0 HA ASP A 45 10.337 -1.021 5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.035 0.289 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.701 -0.133 3.805 1.00 0.00 H new ATOM 696 N ALA A 46 10.774 -2.397 2.505 1.00 0.00 N ATOM 697 CA ALA A 46 10.571 -3.622 1.740 1.00 0.00 C ATOM 698 C ALA A 46 11.261 -4.807 2.405 1.00 0.00 C ATOM 699 O ALA A 46 10.803 -5.944 2.300 1.00 0.00 O ATOM 700 CB ALA A 46 11.077 -3.444 0.317 1.00 0.00 C ATOM 0 H ALA A 46 11.290 -1.670 2.008 1.00 0.00 H new ATOM 0 HA ALA A 46 9.501 -3.830 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.919 -4.366 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.534 -2.630 -0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.141 -3.208 0.336 1.00 0.00 H new ATOM 706 N GLU A 47 12.367 -4.533 3.092 1.00 0.00 N ATOM 707 CA GLU A 47 13.120 -5.578 3.774 1.00 0.00 C ATOM 708 C GLU A 47 12.304 -6.181 4.914 1.00 0.00 C ATOM 709 O GLU A 47 12.308 -7.395 5.119 1.00 0.00 O ATOM 710 CB GLU A 47 14.439 -5.016 4.312 1.00 0.00 C ATOM 711 CG GLU A 47 15.666 -5.561 3.601 1.00 0.00 C ATOM 712 CD GLU A 47 16.496 -6.473 4.484 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.211 -5.956 5.367 1.00 0.00 O ATOM 714 OE2 GLU A 47 16.432 -7.706 4.291 1.00 0.00 O ATOM 0 H GLU A 47 12.760 -3.597 3.190 1.00 0.00 H new ATOM 0 HA GLU A 47 13.337 -6.366 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.427 -3.930 4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.514 -5.243 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.353 -6.109 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.284 -4.730 3.262 1.00 0.00 H new ATOM 721 N ILE A 48 11.606 -5.325 5.652 1.00 0.00 N ATOM 722 CA ILE A 48 10.786 -5.774 6.771 1.00 0.00 C ATOM 723 C ILE A 48 9.606 -6.611 6.287 1.00 0.00 C ATOM 724 O ILE A 48 9.222 -7.589 6.927 1.00 0.00 O ATOM 725 CB ILE A 48 10.255 -4.583 7.594 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.403 -3.646 7.978 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.530 -5.077 8.838 1.00 0.00 C ATOM 728 CD1 ILE A 48 11.005 -2.188 8.016 1.00 0.00 C ATOM 0 H ILE A 48 11.592 -4.317 5.496 1.00 0.00 H new ATOM 0 HA ILE A 48 11.426 -6.387 7.406 1.00 0.00 H new ATOM 0 HB ILE A 48 9.546 -4.027 6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.786 -3.935 8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 48 12.219 -3.773 7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.162 -4.224 9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.690 -5.707 8.544 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.218 -5.655 9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.867 -1.583 8.295 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.650 -1.882 7.032 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.210 -2.047 8.749 1.00 0.00 H new ATOM 740 N VAL A 49 9.037 -6.220 5.151 1.00 0.00 N ATOM 741 CA VAL A 49 7.902 -6.934 4.580 1.00 0.00 C ATOM 742 C VAL A 49 8.260 -8.386 4.283 1.00 0.00 C ATOM 743 O VAL A 49 7.588 -9.308 4.747 1.00 0.00 O ATOM 744 CB VAL A 49 7.410 -6.263 3.284 1.00 0.00 C ATOM 745 CG1 VAL A 49 6.110 -6.897 2.813 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.237 -4.766 3.489 1.00 0.00 C ATOM 0 H VAL A 49 9.344 -5.413 4.608 1.00 0.00 H new ATOM 0 HA VAL A 49 7.104 -6.903 5.321 1.00 0.00 H new ATOM 0 HB VAL A 49 8.163 -6.416 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.779 -6.409 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.271 -7.958 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.348 -6.779 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.889 -4.310 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.506 -4.589 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.192 -4.325 3.774 1.00 0.00 H new ATOM 756 N CYS A 50 9.321 -8.582 3.507 1.00 0.00 N ATOM 757 CA CYS A 50 9.769 -9.923 3.149 1.00 0.00 C ATOM 758 C CYS A 50 10.199 -10.701 4.388 1.00 0.00 C ATOM 759 O CYS A 50 10.089 -11.927 4.432 1.00 0.00 O ATOM 760 CB CYS A 50 10.927 -9.846 2.152 1.00 0.00 C ATOM 761 SG CYS A 50 10.484 -9.109 0.561 1.00 0.00 S ATOM 0 H CYS A 50 9.886 -7.829 3.114 1.00 0.00 H new ATOM 0 HA CYS A 50 8.934 -10.448 2.685 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.736 -9.266 2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.312 -10.851 1.980 1.00 0.00 H new ATOM 0 HG CYS A 50 11.529 -9.086 -0.212 1.00 0.00 H new ATOM 767 N ALA A 51 10.691 -9.983 5.393 1.00 0.00 N ATOM 768 CA ALA A 51 11.138 -10.604 6.632 1.00 0.00 C ATOM 769 C ALA A 51 10.019 -11.414 7.282 1.00 0.00 C ATOM 770 O ALA A 51 10.276 -12.327 8.067 1.00 0.00 O ATOM 771 CB ALA A 51 11.653 -9.546 7.597 1.00 0.00 C ATOM 0 H ALA A 51 10.790 -8.968 5.372 1.00 0.00 H new ATOM 0 HA ALA A 51 11.951 -11.289 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.984 -10.024 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.490 -9.016 7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.855 -8.839 7.822 1.00 0.00 H new ATOM 777 N CYS A 52 8.774 -11.073 6.953 1.00 0.00 N ATOM 778 CA CYS A 52 7.618 -11.769 7.507 1.00 0.00 C ATOM 779 C CYS A 52 7.713 -13.274 7.259 1.00 0.00 C ATOM 780 O CYS A 52 8.264 -13.711 6.250 1.00 0.00 O ATOM 781 CB CYS A 52 6.328 -11.222 6.894 1.00 0.00 C ATOM 782 SG CYS A 52 5.823 -9.614 7.550 1.00 0.00 S ATOM 0 H CYS A 52 8.542 -10.319 6.306 1.00 0.00 H new ATOM 0 HA CYS A 52 7.605 -11.598 8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.458 -11.138 5.815 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.525 -11.940 7.063 1.00 0.00 H new ATOM 0 HG CYS A 52 6.098 -8.686 6.683 1.00 0.00 H new ATOM 788 N PRO A 53 7.177 -14.088 8.185 1.00 0.00 N ATOM 789 CA PRO A 53 7.205 -15.547 8.063 1.00 0.00 C ATOM 790 C PRO A 53 6.189 -16.065 7.052 1.00 0.00 C ATOM 791 O PRO A 53 6.493 -16.941 6.242 1.00 0.00 O ATOM 792 CB PRO A 53 6.848 -16.020 9.471 1.00 0.00 C ATOM 793 CG PRO A 53 5.993 -14.933 10.025 1.00 0.00 C ATOM 794 CD PRO A 53 6.501 -13.650 9.423 1.00 0.00 C ATOM 0 HA PRO A 53 8.168 -15.910 7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.315 -16.971 9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.741 -16.170 10.077 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.945 -15.094 9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.056 -14.904 11.113 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.687 -12.957 9.211 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.189 -13.137 10.095 1.00 0.00 H new ATOM 802 N THR A 54 4.977 -15.519 7.105 1.00 0.00 N ATOM 803 CA THR A 54 3.914 -15.926 6.195 1.00 0.00 C ATOM 804 C THR A 54 3.503 -14.772 5.286 1.00 0.00 C ATOM 805 O THR A 54 4.089 -13.691 5.336 1.00 0.00 O ATOM 806 CB THR A 54 2.704 -16.426 6.985 1.00 0.00 C ATOM 807 OG1 THR A 54 2.257 -15.438 7.896 1.00 0.00 O ATOM 808 CG2 THR A 54 2.982 -17.686 7.775 1.00 0.00 C ATOM 0 H THR A 54 4.708 -14.793 7.769 1.00 0.00 H new ATOM 0 HA THR A 54 4.293 -16.736 5.572 1.00 0.00 H new ATOM 0 HB THR A 54 1.943 -16.647 6.236 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.481 -15.776 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.082 -17.985 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.281 -18.483 7.095 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.784 -17.498 8.489 1.00 0.00 H new ATOM 816 N GLN A 55 2.492 -15.008 4.457 1.00 0.00 N ATOM 817 CA GLN A 55 2.004 -13.987 3.535 1.00 0.00 C ATOM 818 C GLN A 55 1.139 -12.961 4.266 1.00 0.00 C ATOM 819 O GLN A 55 1.383 -11.758 4.178 1.00 0.00 O ATOM 820 CB GLN A 55 1.208 -14.634 2.399 1.00 0.00 C ATOM 821 CG GLN A 55 1.642 -14.176 1.016 1.00 0.00 C ATOM 822 CD GLN A 55 2.913 -14.860 0.551 1.00 0.00 C ATOM 823 OE1 GLN A 55 3.061 -16.076 0.677 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.839 -14.079 0.008 1.00 0.00 N ATOM 0 H GLN A 55 1.994 -15.897 4.404 1.00 0.00 H new ATOM 0 HA GLN A 55 2.866 -13.470 3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.313 -15.717 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.150 -14.408 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.843 -14.377 0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.796 -13.097 1.026 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.674 -13.076 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.715 -14.482 -0.325 1.00 0.00 H new ATOM 833 N PRO A 56 0.111 -13.424 5.000 1.00 0.00 N ATOM 834 CA PRO A 56 -0.789 -12.538 5.745 1.00 0.00 C ATOM 835 C PRO A 56 -0.032 -11.543 6.618 1.00 0.00 C ATOM 836 O PRO A 56 -0.504 -10.433 6.864 1.00 0.00 O ATOM 837 CB PRO A 56 -1.599 -13.503 6.613 1.00 0.00 C ATOM 838 CG PRO A 56 -1.583 -14.789 5.863 1.00 0.00 C ATOM 839 CD PRO A 56 -0.253 -14.845 5.161 1.00 0.00 C ATOM 0 HA PRO A 56 -1.399 -11.926 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.154 -13.615 7.602 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.617 -13.143 6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.703 -15.636 6.539 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.404 -14.833 5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.489 -15.385 5.749 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.328 -15.352 4.199 1.00 0.00 H new ATOM 847 N ASP A 57 1.144 -11.948 7.083 1.00 0.00 N ATOM 848 CA ASP A 57 1.968 -11.093 7.928 1.00 0.00 C ATOM 849 C ASP A 57 2.554 -9.937 7.123 1.00 0.00 C ATOM 850 O ASP A 57 2.700 -8.825 7.631 1.00 0.00 O ATOM 851 CB ASP A 57 3.094 -11.908 8.571 1.00 0.00 C ATOM 852 CG ASP A 57 2.844 -12.179 10.042 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.886 -12.917 10.355 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.607 -11.654 10.879 1.00 0.00 O ATOM 0 H ASP A 57 1.548 -12.864 6.889 1.00 0.00 H new ATOM 0 HA ASP A 57 1.335 -10.680 8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.200 -12.855 8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.037 -11.372 8.458 1.00 0.00 H new ATOM 859 N LYS A 58 2.885 -10.208 5.865 1.00 0.00 N ATOM 860 CA LYS A 58 3.454 -9.191 4.989 1.00 0.00 C ATOM 861 C LYS A 58 2.453 -8.067 4.739 1.00 0.00 C ATOM 862 O LYS A 58 2.804 -6.888 4.787 1.00 0.00 O ATOM 863 CB LYS A 58 3.880 -9.814 3.658 1.00 0.00 C ATOM 864 CG LYS A 58 4.859 -10.967 3.813 1.00 0.00 C ATOM 865 CD LYS A 58 4.914 -11.825 2.558 1.00 0.00 C ATOM 866 CE LYS A 58 6.269 -11.725 1.872 1.00 0.00 C ATOM 867 NZ LYS A 58 7.119 -12.915 2.144 1.00 0.00 N ATOM 0 H LYS A 58 2.769 -11.123 5.430 1.00 0.00 H new ATOM 0 HA LYS A 58 4.330 -8.771 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.994 -10.169 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.334 -9.044 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.853 -10.575 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.566 -11.583 4.663 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.712 -12.864 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.131 -11.511 1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.124 -11.621 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.783 -10.826 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.033 -12.807 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.279 -13.001 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.641 -13.770 1.795 1.00 0.00 H new ATOM 881 N VAL A 59 1.206 -8.441 4.471 1.00 0.00 N ATOM 882 CA VAL A 59 0.155 -7.464 4.214 1.00 0.00 C ATOM 883 C VAL A 59 -0.061 -6.559 5.423 1.00 0.00 C ATOM 884 O VAL A 59 -0.433 -5.394 5.281 1.00 0.00 O ATOM 885 CB VAL A 59 -1.178 -8.148 3.856 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.180 -7.128 3.338 1.00 0.00 C ATOM 887 CG2 VAL A 59 -0.956 -9.256 2.836 1.00 0.00 C ATOM 0 H VAL A 59 0.899 -9.413 4.426 1.00 0.00 H new ATOM 0 HA VAL A 59 0.484 -6.864 3.366 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.587 -8.598 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.115 -7.630 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.364 -6.376 4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.780 -6.646 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.910 -9.727 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.522 -8.834 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.278 -10.002 3.251 1.00 0.00 H new ATOM 897 N ARG A 60 0.175 -7.104 6.612 1.00 0.00 N ATOM 898 CA ARG A 60 0.006 -6.345 7.846 1.00 0.00 C ATOM 899 C ARG A 60 1.181 -5.397 8.067 1.00 0.00 C ATOM 900 O ARG A 60 1.014 -4.302 8.604 1.00 0.00 O ATOM 901 CB ARG A 60 -0.132 -7.297 9.038 1.00 0.00 C ATOM 902 CG ARG A 60 -1.436 -7.134 9.800 1.00 0.00 C ATOM 903 CD ARG A 60 -1.845 -8.424 10.493 1.00 0.00 C ATOM 904 NE ARG A 60 -2.363 -8.183 11.838 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.452 -9.123 12.776 1.00 0.00 C ATOM 906 NH1 ARG A 60 -2.063 -10.366 12.520 1.00 0.00 N ATOM 907 NH2 ARG A 60 -2.933 -8.818 13.974 1.00 0.00 N ATOM 0 H ARG A 60 0.483 -8.067 6.747 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.903 -5.750 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.055 -8.324 8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.701 -7.133 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.329 -6.341 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.223 -6.824 9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.605 -8.930 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.986 -9.093 10.550 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.674 -7.240 12.071 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.693 -10.605 11.600 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.134 -11.082 13.243 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.234 -7.864 14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.002 -9.537 14.694 1.00 0.00 H new ATOM 921 N LYS A 61 2.367 -5.825 7.650 1.00 0.00 N ATOM 922 CA LYS A 61 3.570 -5.014 7.802 1.00 0.00 C ATOM 923 C LYS A 61 3.514 -3.780 6.907 1.00 0.00 C ATOM 924 O LYS A 61 3.932 -2.693 7.307 1.00 0.00 O ATOM 925 CB LYS A 61 4.813 -5.842 7.472 1.00 0.00 C ATOM 926 CG LYS A 61 6.117 -5.088 7.674 1.00 0.00 C ATOM 927 CD LYS A 61 6.278 -4.625 9.114 1.00 0.00 C ATOM 928 CE LYS A 61 6.391 -5.803 10.067 1.00 0.00 C ATOM 929 NZ LYS A 61 5.065 -6.211 10.609 1.00 0.00 N ATOM 0 H LYS A 61 2.522 -6.729 7.204 1.00 0.00 H new ATOM 0 HA LYS A 61 3.626 -4.684 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.820 -6.736 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.753 -6.176 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.955 -5.730 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.146 -4.225 7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.167 -4.000 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.425 -4.007 9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.846 -6.647 9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.054 -5.540 10.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.178 -6.550 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.420 -5.396 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.670 -6.973 10.022 1.00 0.00 H new ATOM 943 N ILE A 62 2.996 -3.955 5.696 1.00 0.00 N ATOM 944 CA ILE A 62 2.887 -2.854 4.747 1.00 0.00 C ATOM 945 C ILE A 62 1.921 -1.787 5.252 1.00 0.00 C ATOM 946 O ILE A 62 2.225 -0.595 5.221 1.00 0.00 O ATOM 947 CB ILE A 62 2.419 -3.346 3.363 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.320 -4.479 2.867 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.409 -2.197 2.364 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.656 -5.375 1.844 1.00 0.00 C ATOM 0 H ILE A 62 2.646 -4.848 5.349 1.00 0.00 H new ATOM 0 HA ILE A 62 3.883 -2.421 4.650 1.00 0.00 H new ATOM 0 HB ILE A 62 1.403 -3.728 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.223 -4.050 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.633 -5.083 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.076 -2.562 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.729 -1.419 2.711 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.414 -1.786 2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.352 -6.155 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.769 -5.832 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.368 -4.784 0.975 1.00 0.00 H new ATOM 962 N LEU A 63 0.755 -2.224 5.718 1.00 0.00 N ATOM 963 CA LEU A 63 -0.257 -1.307 6.231 1.00 0.00 C ATOM 964 C LEU A 63 0.297 -0.479 7.387 1.00 0.00 C ATOM 965 O LEU A 63 -0.021 0.702 7.525 1.00 0.00 O ATOM 966 CB LEU A 63 -1.492 -2.084 6.689 1.00 0.00 C ATOM 967 CG LEU A 63 -2.225 -2.845 5.585 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.050 -3.978 6.175 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.110 -1.901 4.784 1.00 0.00 C ATOM 0 H LEU A 63 0.488 -3.208 5.751 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.541 -0.629 5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.191 -2.794 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.189 -1.387 7.153 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.483 -3.275 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.565 -4.509 5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.394 -4.669 6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.784 -3.570 6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.624 -2.460 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.845 -1.442 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.495 -1.124 4.330 1.00 0.00 H new ATOM 981 N ASP A 64 1.126 -1.107 8.214 1.00 0.00 N ATOM 982 CA ASP A 64 1.725 -0.430 9.358 1.00 0.00 C ATOM 983 C ASP A 64 2.738 0.615 8.901 1.00 0.00 C ATOM 984 O ASP A 64 2.871 1.674 9.513 1.00 0.00 O ATOM 985 CB ASP A 64 2.401 -1.444 10.282 1.00 0.00 C ATOM 986 CG ASP A 64 2.217 -1.102 11.748 1.00 0.00 C ATOM 987 OD1 ASP A 64 1.067 -1.161 12.232 1.00 0.00 O ATOM 988 OD2 ASP A 64 3.223 -0.777 12.412 1.00 0.00 O ATOM 0 H ASP A 64 1.398 -2.085 8.113 1.00 0.00 H new ATOM 0 HA ASP A 64 0.930 0.076 9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.993 -2.436 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.466 -1.487 10.053 1.00 0.00 H new ATOM 993 N LEU A 65 3.451 0.308 7.822 1.00 0.00 N ATOM 994 CA LEU A 65 4.453 1.220 7.284 1.00 0.00 C ATOM 995 C LEU A 65 3.797 2.463 6.690 1.00 0.00 C ATOM 996 O LEU A 65 4.124 3.589 7.064 1.00 0.00 O ATOM 997 CB LEU A 65 5.294 0.516 6.217 1.00 0.00 C ATOM 998 CG LEU A 65 6.242 -0.561 6.745 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.708 -1.463 5.614 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.432 0.076 7.446 1.00 0.00 C ATOM 0 H LEU A 65 3.353 -0.565 7.304 1.00 0.00 H new ATOM 0 HA LEU A 65 5.101 1.530 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.622 0.062 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.880 1.266 5.686 1.00 0.00 H new ATOM 0 HG LEU A 65 5.702 -1.171 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.382 -2.223 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.845 -1.946 5.155 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.231 -0.868 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.097 -0.704 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.972 0.710 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.081 0.680 8.283 1.00 0.00 H new ATOM 1012 N VAL A 66 2.869 2.250 5.762 1.00 0.00 N ATOM 1013 CA VAL A 66 2.166 3.353 5.116 1.00 0.00 C ATOM 1014 C VAL A 66 1.437 4.216 6.141 1.00 0.00 C ATOM 1015 O VAL A 66 1.402 5.440 6.024 1.00 0.00 O ATOM 1016 CB VAL A 66 1.152 2.840 4.076 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.527 4.001 3.318 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.818 1.866 3.117 1.00 0.00 C ATOM 0 H VAL A 66 2.587 1.324 5.441 1.00 0.00 H new ATOM 0 HA VAL A 66 2.920 3.956 4.610 1.00 0.00 H new ATOM 0 HB VAL A 66 0.357 2.311 4.602 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.186 3.617 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.011 4.658 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.307 4.561 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.087 1.514 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.634 2.368 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.211 1.017 3.676 1.00 0.00 H new ATOM 1028 N GLN A 67 0.855 3.568 7.146 1.00 0.00 N ATOM 1029 CA GLN A 67 0.127 4.277 8.191 1.00 0.00 C ATOM 1030 C GLN A 67 1.057 5.196 8.976 1.00 0.00 C ATOM 1031 O GLN A 67 0.638 6.236 9.483 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.545 3.281 9.139 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.851 2.717 8.602 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.463 1.682 9.526 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -2.414 1.819 10.748 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.044 0.640 8.944 1.00 0.00 N ATOM 0 H GLN A 67 0.874 2.554 7.258 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.639 4.888 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.143 2.459 9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.736 3.772 10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.560 3.531 8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.674 2.267 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.061 0.568 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.474 -0.089 9.514 1.00 0.00 H new ATOM 1045 N SER A 68 2.324 4.805 9.073 1.00 0.00 N ATOM 1046 CA SER A 68 3.315 5.594 9.795 1.00 0.00 C ATOM 1047 C SER A 68 3.948 6.642 8.885 1.00 0.00 C ATOM 1048 O SER A 68 4.338 7.718 9.338 1.00 0.00 O ATOM 1049 CB SER A 68 4.399 4.683 10.375 1.00 0.00 C ATOM 1050 OG SER A 68 3.915 3.961 11.494 1.00 0.00 O ATOM 0 H SER A 68 2.688 3.946 8.660 1.00 0.00 H new ATOM 0 HA SER A 68 2.807 6.109 10.611 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.741 3.987 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.261 5.281 10.670 1.00 0.00 H new ATOM 0 HG SER A 68 3.510 3.121 11.191 1.00 0.00 H new ATOM 1056 N LYS A 69 4.044 6.321 7.599 1.00 0.00 N ATOM 1057 CA LYS A 69 4.630 7.234 6.625 1.00 0.00 C ATOM 1058 C LYS A 69 3.857 8.548 6.577 1.00 0.00 C ATOM 1059 O LYS A 69 4.444 9.628 6.645 1.00 0.00 O ATOM 1060 CB LYS A 69 4.649 6.589 5.238 1.00 0.00 C ATOM 1061 CG LYS A 69 5.743 5.547 5.068 1.00 0.00 C ATOM 1062 CD LYS A 69 5.901 5.138 3.612 1.00 0.00 C ATOM 1063 CE LYS A 69 6.773 3.902 3.473 1.00 0.00 C ATOM 1064 NZ LYS A 69 8.150 4.131 3.993 1.00 0.00 N ATOM 0 H LYS A 69 3.723 5.435 7.207 1.00 0.00 H new ATOM 0 HA LYS A 69 5.654 7.447 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.682 6.123 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.780 7.367 4.486 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.687 5.945 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.508 4.669 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.920 4.943 3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.341 5.960 3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.315 3.072 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.825 3.611 2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.843 3.903 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.255 5.128 4.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.314 3.522 4.820 1.00 0.00 H new ATOM 1078 N GLY A 70 2.537 8.449 6.459 1.00 0.00 N ATOM 1079 CA GLY A 70 1.707 9.639 6.405 1.00 0.00 C ATOM 1080 C GLY A 70 0.513 9.473 5.485 1.00 0.00 C ATOM 1081 O GLY A 70 0.363 8.441 4.831 1.00 0.00 O ATOM 0 H GLY A 70 2.027 7.567 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.357 9.880 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.308 10.482 6.066 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.338 10.492 5.436 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.527 10.457 4.590 1.00 0.00 C ATOM 1087 C GLU A 71 -1.143 10.419 3.114 1.00 0.00 C ATOM 1088 O GLU A 71 -1.876 9.874 2.287 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.411 11.674 4.868 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.330 11.497 6.066 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.097 12.760 6.404 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -3.450 13.803 6.637 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -5.344 12.707 6.437 1.00 0.00 O ATOM 0 H GLU A 71 -0.227 11.353 5.972 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.084 9.550 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.776 12.544 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.015 11.883 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.035 10.692 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.740 11.193 6.930 1.00 0.00 H new ATOM 1100 N GLU A 72 0.006 11.001 2.788 1.00 0.00 N ATOM 1101 CA GLU A 72 0.485 11.034 1.411 1.00 0.00 C ATOM 1102 C GLU A 72 0.625 9.622 0.849 1.00 0.00 C ATOM 1103 O GLU A 72 0.029 9.290 -0.176 1.00 0.00 O ATOM 1104 CB GLU A 72 1.829 11.761 1.333 1.00 0.00 C ATOM 1105 CG GLU A 72 2.313 11.992 -0.089 1.00 0.00 C ATOM 1106 CD GLU A 72 3.775 11.632 -0.274 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.241 10.683 0.390 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.453 12.301 -1.082 1.00 0.00 O ATOM 0 H GLU A 72 0.624 11.457 3.460 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.248 11.574 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.743 12.722 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.578 11.182 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.707 11.400 -0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.164 13.039 -0.354 1.00 0.00 H new ATOM 1115 N VAL A 73 1.417 8.797 1.526 1.00 0.00 N ATOM 1116 CA VAL A 73 1.636 7.422 1.093 1.00 0.00 C ATOM 1117 C VAL A 73 0.355 6.602 1.203 1.00 0.00 C ATOM 1118 O VAL A 73 0.133 5.671 0.428 1.00 0.00 O ATOM 1119 CB VAL A 73 2.740 6.738 1.923 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.122 5.401 1.308 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.957 7.645 2.043 1.00 0.00 C ATOM 0 H VAL A 73 1.917 9.057 2.376 1.00 0.00 H new ATOM 0 HA VAL A 73 1.951 7.466 0.050 1.00 0.00 H new ATOM 0 HB VAL A 73 2.353 6.552 2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.903 4.934 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.248 4.750 1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.490 5.559 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.726 7.146 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.347 7.864 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.671 8.575 2.534 1.00 0.00 H new ATOM 1131 N SER A 74 -0.485 6.953 2.171 1.00 0.00 N ATOM 1132 CA SER A 74 -1.745 6.250 2.382 1.00 0.00 C ATOM 1133 C SER A 74 -2.641 6.353 1.152 1.00 0.00 C ATOM 1134 O SER A 74 -3.188 5.353 0.685 1.00 0.00 O ATOM 1135 CB SER A 74 -2.470 6.815 3.604 1.00 0.00 C ATOM 1136 OG SER A 74 -3.649 6.080 3.884 1.00 0.00 O ATOM 0 H SER A 74 -0.316 7.720 2.822 1.00 0.00 H new ATOM 0 HA SER A 74 -1.519 5.198 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.807 6.788 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.723 7.861 3.429 1.00 0.00 H new ATOM 0 HG SER A 74 -3.828 6.104 4.847 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.785 7.566 0.631 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.615 7.798 -0.546 1.00 0.00 C ATOM 1144 C GLU A 75 -3.064 7.052 -1.757 1.00 0.00 C ATOM 1145 O GLU A 75 -3.816 6.445 -2.520 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.700 9.295 -0.850 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.669 9.635 -1.971 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.105 10.655 -2.941 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -3.285 11.493 -2.510 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -4.483 10.615 -4.130 1.00 0.00 O ATOM 0 H GLU A 75 -2.338 8.404 1.004 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.615 7.420 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.003 9.824 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.708 9.660 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.924 8.725 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.594 10.020 -1.542 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.746 7.101 -1.928 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.096 6.428 -3.047 1.00 0.00 C ATOM 1159 C PHE A 76 -1.255 4.915 -2.938 1.00 0.00 C ATOM 1160 O PHE A 76 -1.427 4.226 -3.943 1.00 0.00 O ATOM 1161 CB PHE A 76 0.388 6.794 -3.097 1.00 0.00 C ATOM 1162 CG PHE A 76 1.082 6.318 -4.342 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.837 6.927 -5.562 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.977 5.262 -4.291 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.474 6.492 -6.710 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.616 4.822 -5.435 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.364 5.438 -6.646 1.00 0.00 C ATOM 0 H PHE A 76 -1.108 7.599 -1.307 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.576 6.761 -3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.489 7.877 -3.026 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.888 6.369 -2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.141 7.751 -5.617 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.178 4.777 -3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.276 6.976 -7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.312 3.998 -5.382 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.862 5.096 -7.541 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.198 4.406 -1.712 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.336 2.975 -1.471 1.00 0.00 C ATOM 1179 C PHE A 77 -2.762 2.510 -1.756 1.00 0.00 C ATOM 1180 O PHE A 77 -2.983 1.375 -2.177 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.957 2.641 -0.028 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.815 1.168 0.230 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.150 0.424 -0.432 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.646 0.526 1.134 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.283 -0.931 -0.197 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.518 -0.829 1.373 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.552 -1.558 0.707 1.00 0.00 C ATOM 0 H PHE A 77 -1.057 4.964 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.660 2.451 -2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.017 3.137 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.715 3.047 0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.805 0.910 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.403 1.091 1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.039 -1.499 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.172 -1.317 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.450 -2.617 0.893 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.725 3.397 -1.522 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.129 3.078 -1.753 1.00 0.00 C ATOM 1199 C LEU A 78 -5.517 3.339 -3.205 1.00 0.00 C ATOM 1200 O LEU A 78 -6.395 2.672 -3.752 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.019 3.902 -0.820 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.062 3.417 0.630 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.426 4.560 1.564 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.049 2.268 0.779 1.00 0.00 C ATOM 0 H LEU A 78 -3.558 4.341 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.274 2.018 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.672 4.935 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.034 3.902 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.070 3.055 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.452 4.196 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.681 5.351 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.406 4.953 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.066 1.936 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.045 2.604 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.744 1.441 0.138 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.859 4.314 -3.824 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.137 4.662 -5.213 1.00 0.00 C ATOM 1218 C TYR A 79 -4.813 3.496 -6.142 1.00 0.00 C ATOM 1219 O TYR A 79 -5.539 3.234 -7.100 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.331 5.896 -5.623 1.00 0.00 C ATOM 1221 CG TYR A 79 -5.065 6.806 -6.583 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.570 6.320 -7.782 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.252 8.151 -6.289 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -6.242 7.148 -8.661 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.923 8.986 -7.163 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.415 8.478 -8.348 1.00 0.00 C ATOM 1227 OH TYR A 79 -7.083 9.306 -9.220 1.00 0.00 O ATOM 0 H TYR A 79 -4.130 4.877 -3.386 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.200 4.886 -5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.067 6.461 -4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.397 5.573 -6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.435 5.278 -8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.867 8.551 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.630 6.754 -9.589 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.061 10.029 -6.920 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.119 10.212 -8.848 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.718 2.802 -5.852 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.297 1.665 -6.660 1.00 0.00 C ATOM 1239 C LEU A 80 -4.272 0.501 -6.518 1.00 0.00 C ATOM 1240 O LEU A 80 -4.460 -0.282 -7.448 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.890 1.218 -6.255 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.779 2.226 -6.557 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.313 2.149 -5.502 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.201 1.980 -7.943 1.00 0.00 C ATOM 0 H LEU A 80 -3.106 3.008 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.286 1.979 -7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.886 1.005 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.661 0.283 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.207 3.228 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.094 2.873 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.111 2.373 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.739 1.146 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.588 2.705 -8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.212 0.972 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.988 2.086 -8.690 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.891 0.394 -5.345 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.846 -0.676 -5.081 1.00 0.00 C ATOM 1258 C LEU A 81 -7.008 -0.628 -6.069 1.00 0.00 C ATOM 1259 O LEU A 81 -7.604 -1.656 -6.391 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.376 -0.571 -3.649 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.419 -1.070 -2.567 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -6.020 -0.863 -1.185 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.082 -2.537 -2.788 1.00 0.00 C ATOM 0 H LEU A 81 -4.748 1.034 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.329 -1.628 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.621 0.471 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.305 -1.136 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.497 -0.492 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.324 -1.224 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.210 0.198 -1.026 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.957 -1.415 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.400 -2.875 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.996 -3.130 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.609 -2.659 -3.762 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.326 0.572 -6.547 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.417 0.750 -7.497 1.00 0.00 C ATOM 1277 C GLN A 82 -7.988 0.351 -8.906 1.00 0.00 C ATOM 1278 O GLN A 82 -8.710 -0.356 -9.608 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.892 2.204 -7.490 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.116 2.449 -8.357 1.00 0.00 C ATOM 1281 CD GLN A 82 -11.018 3.534 -7.802 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.558 4.623 -7.459 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -12.310 3.241 -7.709 1.00 0.00 N ATOM 0 H GLN A 82 -6.844 1.434 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.239 0.102 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.118 2.498 -6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.080 2.844 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.795 2.727 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.683 1.522 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.648 2.325 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.964 3.932 -7.341 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.808 0.808 -9.312 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.283 0.497 -10.637 1.00 0.00 C ATOM 1294 C GLN A 83 -5.963 -0.989 -10.761 1.00 0.00 C ATOM 1295 O GLN A 83 -6.365 -1.643 -11.723 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.031 1.330 -10.920 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.289 2.531 -11.817 1.00 0.00 C ATOM 1298 CD GLN A 83 -5.073 3.851 -11.103 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -5.933 4.731 -11.127 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -3.918 3.996 -10.464 1.00 0.00 N ATOM 0 H GLN A 83 -6.197 1.395 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.048 0.745 -11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.614 1.676 -9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.279 0.694 -11.386 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.631 2.480 -12.684 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.312 2.488 -12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.233 3.240 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.716 4.863 -9.967 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.237 -1.517 -9.781 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.862 -2.927 -9.780 1.00 0.00 C ATOM 1311 C LEU A 84 -6.051 -3.816 -9.421 1.00 0.00 C ATOM 1312 O LEU A 84 -6.017 -5.027 -9.640 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.715 -3.170 -8.798 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.527 -2.216 -8.940 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.416 -2.601 -7.975 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.015 -2.214 -10.372 1.00 0.00 C ATOM 0 H LEU A 84 -4.896 -0.990 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.534 -3.186 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.104 -3.093 -7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.358 -4.192 -8.926 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.862 -1.208 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.579 -1.912 -8.090 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.789 -2.551 -6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.082 -3.616 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.170 -1.530 -10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.696 -3.220 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.811 -1.890 -11.043 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.102 -3.212 -8.869 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.297 -3.956 -8.482 1.00 0.00 C ATOM 1330 C ALA A 85 -8.799 -4.836 -9.623 1.00 0.00 C ATOM 1331 O ALA A 85 -9.426 -5.871 -9.392 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.390 -2.995 -8.032 1.00 0.00 C ATOM 0 H ALA A 85 -7.149 -2.211 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.033 -4.609 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.277 -3.561 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.037 -2.417 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.639 -2.319 -8.850 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.519 -4.423 -10.855 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.942 -5.176 -12.029 1.00 0.00 C ATOM 1340 C ASP A 86 -8.355 -6.584 -12.011 1.00 0.00 C ATOM 1341 O ASP A 86 -8.971 -7.531 -12.502 1.00 0.00 O ATOM 1342 CB ASP A 86 -8.519 -4.449 -13.307 1.00 0.00 C ATOM 1343 CG ASP A 86 -9.646 -4.356 -14.319 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -10.313 -5.384 -14.559 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -9.861 -3.255 -14.868 1.00 0.00 O ATOM 0 H ASP A 86 -8.001 -3.570 -11.066 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.029 -5.255 -12.008 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.177 -3.445 -13.055 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.673 -4.970 -13.756 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.160 -6.714 -11.442 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.491 -8.005 -11.358 1.00 0.00 C ATOM 1352 C ALA A 87 -6.975 -8.798 -10.149 1.00 0.00 C ATOM 1353 O ALA A 87 -7.091 -10.022 -10.203 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.983 -7.813 -11.295 1.00 0.00 C ATOM 0 H ALA A 87 -6.636 -5.940 -11.033 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.738 -8.573 -12.254 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.495 -8.785 -11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.645 -7.294 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.728 -7.222 -10.416 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.260 -8.090 -9.061 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.733 -8.727 -7.838 1.00 0.00 C ATOM 1362 C TYR A 88 -9.217 -9.065 -7.940 1.00 0.00 C ATOM 1363 O TYR A 88 -9.933 -8.513 -8.775 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.489 -7.815 -6.634 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.027 -7.650 -6.284 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.166 -6.953 -7.123 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.508 -8.190 -5.114 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.830 -6.799 -6.805 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.173 -8.040 -4.789 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.338 -7.345 -5.639 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.009 -7.192 -5.320 1.00 0.00 O ATOM 0 H TYR A 88 -7.172 -7.076 -9.002 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.175 -9.653 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.917 -6.834 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.017 -8.219 -5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.547 -6.525 -8.038 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.159 -8.736 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.174 -6.253 -7.467 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.786 -8.465 -3.875 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.814 -7.676 -4.490 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.673 -9.974 -7.085 1.00 0.00 N ATOM 1382 CA VAL A 89 -11.071 -10.384 -7.077 1.00 0.00 C ATOM 1383 C VAL A 89 -11.635 -10.395 -5.661 1.00 0.00 C ATOM 1384 O VAL A 89 -12.566 -11.144 -5.359 1.00 0.00 O ATOM 1385 CB VAL A 89 -11.251 -11.781 -7.700 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -10.909 -11.755 -9.181 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -10.398 -12.805 -6.966 1.00 0.00 C ATOM 0 H VAL A 89 -9.093 -10.441 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.616 -9.654 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.297 -12.072 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.042 -12.751 -9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.566 -11.053 -9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.873 -11.442 -9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.537 -13.786 -7.419 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.348 -12.520 -7.034 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.697 -12.843 -5.918 1.00 0.00 H new ATOM 1397 N ASP A 90 -11.066 -9.564 -4.794 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.513 -9.481 -3.407 1.00 0.00 C ATOM 1399 C ASP A 90 -11.939 -8.059 -3.053 1.00 0.00 C ATOM 1400 O ASP A 90 -12.913 -7.856 -2.329 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.400 -9.942 -2.464 1.00 0.00 C ATOM 1402 CG ASP A 90 -10.501 -11.417 -2.130 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -11.628 -11.955 -2.147 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -9.452 -12.035 -1.850 1.00 0.00 O ATOM 0 H ASP A 90 -10.295 -8.938 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.376 -10.137 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.432 -9.742 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.443 -9.360 -1.543 1.00 0.00 H new ATOM 1409 N LEU A 91 -11.202 -7.078 -3.565 1.00 0.00 N ATOM 1410 CA LEU A 91 -11.505 -5.676 -3.299 1.00 0.00 C ATOM 1411 C LEU A 91 -12.334 -5.068 -4.426 1.00 0.00 C ATOM 1412 O LEU A 91 -12.228 -3.877 -4.714 1.00 0.00 O ATOM 1413 CB LEU A 91 -10.211 -4.880 -3.116 1.00 0.00 C ATOM 1414 CG LEU A 91 -9.168 -5.539 -2.211 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.764 -5.267 -2.726 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.319 -5.046 -0.780 1.00 0.00 C ATOM 0 H LEU A 91 -10.391 -7.228 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.089 -5.628 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.765 -4.711 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.459 -3.901 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.333 -6.616 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.037 -5.744 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.662 -5.670 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.585 -4.192 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.570 -5.524 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.181 -3.965 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.315 -5.295 -0.413 1.00 0.00 H new ATOM 1428 N ARG A 92 -13.162 -5.894 -5.060 1.00 0.00 N ATOM 1429 CA ARG A 92 -14.010 -5.434 -6.152 1.00 0.00 C ATOM 1430 C ARG A 92 -15.163 -4.581 -5.626 1.00 0.00 C ATOM 1431 O ARG A 92 -15.380 -3.464 -6.096 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.557 -6.627 -6.941 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.540 -6.420 -8.447 1.00 0.00 C ATOM 1434 CD ARG A 92 -15.947 -6.409 -9.027 1.00 0.00 C ATOM 1435 NE ARG A 92 -15.941 -6.246 -10.479 1.00 0.00 N ATOM 1436 CZ ARG A 92 -15.689 -7.234 -11.334 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -15.420 -8.455 -10.889 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -15.707 -6.999 -12.639 1.00 0.00 N ATOM 0 H ARG A 92 -13.263 -6.884 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.402 -4.819 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.970 -7.513 -6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.580 -6.825 -6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.043 -5.478 -8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.958 -7.213 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -16.452 -7.340 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -16.519 -5.599 -8.574 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.142 -5.321 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.406 -8.641 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.228 -9.208 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.914 -6.062 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.514 -7.755 -13.296 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.921 -5.095 -4.640 1.00 0.00 N ATOM 1453 CA PRO A 93 -17.051 -4.373 -4.057 1.00 0.00 C ATOM 1454 C PRO A 93 -16.610 -3.340 -3.024 1.00 0.00 C ATOM 1455 O PRO A 93 -17.308 -2.358 -2.776 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.858 -5.484 -3.391 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.839 -6.494 -2.988 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.738 -6.423 -4.016 1.00 0.00 C ATOM 0 HA PRO A 93 -17.607 -3.805 -4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.410 -5.111 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.589 -5.910 -4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.454 -6.280 -1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.275 -7.493 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.754 -6.516 -3.555 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.824 -7.225 -4.750 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.446 -3.571 -2.425 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.908 -2.664 -1.417 1.00 0.00 C ATOM 1468 C TRP A 94 -14.757 -1.252 -1.975 1.00 0.00 C ATOM 1469 O TRP A 94 -15.378 -0.310 -1.483 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.556 -3.172 -0.915 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.025 -2.399 0.254 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.606 -2.270 1.483 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.806 -1.648 0.304 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.823 -1.484 2.294 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.713 -1.090 1.593 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.786 -1.393 -0.617 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.640 -0.294 1.984 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.720 -0.603 -0.227 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.654 -0.062 1.063 1.00 0.00 C ATOM 0 H TRP A 94 -14.856 -4.380 -2.621 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.610 -2.631 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.652 -4.221 -0.634 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.834 -3.125 -1.730 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.543 -2.720 1.775 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.034 -1.234 3.260 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.830 -1.805 -1.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.587 0.125 2.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.925 -0.400 -0.929 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.808 0.551 1.337 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.928 -1.112 -3.004 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.694 0.185 -3.629 1.00 0.00 C ATOM 1492 C LEU A 95 -15.001 0.802 -4.116 1.00 0.00 C ATOM 1493 O LEU A 95 -15.175 2.021 -4.081 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.718 0.043 -4.797 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.280 -0.300 -4.401 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -10.637 -1.199 -5.446 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.463 0.970 -4.212 1.00 0.00 C ATOM 0 H LEU A 95 -13.406 -1.882 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.260 0.846 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.089 -0.732 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.711 0.976 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.303 -0.839 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.615 -1.432 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.209 -2.123 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.625 -0.688 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.443 0.708 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.449 1.535 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.911 1.578 -3.426 1.00 0.00 H new ATOM 1509 N LEU A 96 -15.918 -0.046 -4.570 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.210 0.418 -5.062 1.00 0.00 C ATOM 1511 C LEU A 96 -18.075 0.933 -3.915 1.00 0.00 C ATOM 1512 O LEU A 96 -18.894 1.833 -4.099 1.00 0.00 O ATOM 1513 CB LEU A 96 -17.932 -0.712 -5.802 1.00 0.00 C ATOM 1514 CG LEU A 96 -18.165 -0.462 -7.293 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -18.854 -1.657 -7.933 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.987 0.802 -7.498 1.00 0.00 C ATOM 0 H LEU A 96 -15.791 -1.057 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.036 1.241 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.353 -1.629 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.896 -0.883 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 96 -17.197 -0.325 -7.775 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.012 -1.461 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.229 -2.543 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.816 -1.825 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.144 0.965 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.952 0.693 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.455 1.654 -7.075 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.885 0.356 -2.733 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.648 0.757 -1.556 1.00 0.00 C ATOM 1530 C GLU A 97 -18.143 2.088 -1.007 1.00 0.00 C ATOM 1531 O GLU A 97 -18.835 3.104 -1.078 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.561 -0.321 -0.474 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.724 -1.301 -0.497 1.00 0.00 C ATOM 1534 CD GLU A 97 -21.046 -0.644 -0.155 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -21.112 0.054 0.879 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -22.015 -0.827 -0.921 1.00 0.00 O ATOM 0 H GLU A 97 -17.210 -0.390 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.689 0.880 -1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.629 -0.873 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.521 0.159 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.793 -1.754 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.529 -2.107 0.210 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.932 2.075 -0.459 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.334 3.279 0.103 1.00 0.00 C ATOM 1545 C ILE A 98 -16.207 4.375 -0.950 1.00 0.00 C ATOM 1546 O ILE A 98 -16.248 5.563 -0.631 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.942 2.991 0.698 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -14.023 2.382 -0.362 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -15.061 2.065 1.899 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.552 2.516 -0.037 1.00 0.00 C ATOM 0 H ILE A 98 -16.346 1.243 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.998 3.618 0.898 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.505 3.933 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.266 1.326 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.220 2.862 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.070 1.871 2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.682 2.535 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.516 1.124 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.961 2.062 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.293 3.571 0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.340 2.011 0.906 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.053 3.969 -2.206 1.00 0.00 N ATOM 1563 CA GLY A 99 -15.922 4.931 -3.285 1.00 0.00 C ATOM 1564 C GLY A 99 -14.730 5.851 -3.103 1.00 0.00 C ATOM 1565 O GLY A 99 -14.840 6.900 -2.469 1.00 0.00 O ATOM 0 H GLY A 99 -16.017 2.992 -2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.825 4.399 -4.231 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.832 5.528 -3.347 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.589 5.454 -3.658 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.372 6.249 -3.552 1.00 0.00 C ATOM 1571 C PHE A 100 -12.338 7.337 -4.621 1.00 0.00 C ATOM 1572 O PHE A 100 -11.891 8.456 -4.368 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.139 5.353 -3.680 1.00 0.00 C ATOM 1574 CG PHE A 100 -9.905 5.937 -3.055 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.116 6.835 -3.755 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.534 5.588 -1.767 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -7.979 7.374 -3.183 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.398 6.123 -1.188 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.620 7.018 -1.897 1.00 0.00 C ATOM 0 H PHE A 100 -13.483 4.587 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.364 6.727 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.350 4.390 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -10.946 5.163 -4.736 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.393 7.117 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.139 4.890 -1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.372 8.072 -3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.119 5.842 -0.183 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.733 7.439 -1.447 1.00 0.00 H new