USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 23 TYR OH : rot -25:sc= 1.24 USER MOD Set 1.2: A 55 SER OG : rot -87:sc= 0.696 USER MOD Single : A 4 TYR OH : rot -15:sc= 1.28 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= 0.0477 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00337 USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= 0.977 (180deg=0.318) USER MOD Single : A 26 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.16) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.539 K(o=-0.54,f=-3.4!) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0001) USER MOD Single : A 35 ASN : amide:sc= 0.261 K(o=0.26,f=-6.1!) USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00921) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 7.924 -1.512 2.407 1.00 0.00 N ATOM 48 CA ASP A 3 8.119 -1.059 1.032 1.00 0.00 C ATOM 49 C ASP A 3 6.898 -0.282 0.514 1.00 0.00 C ATOM 50 O ASP A 3 6.970 0.384 -0.514 1.00 0.00 O ATOM 51 CB ASP A 3 8.325 -2.334 0.206 1.00 0.00 C ATOM 52 CG ASP A 3 8.461 -2.097 -1.293 1.00 0.00 C ATOM 53 OD1 ASP A 3 9.613 -1.903 -1.743 1.00 0.00 O ATOM 54 OD2 ASP A 3 7.465 -2.223 -2.032 1.00 0.00 O ATOM 0 HA ASP A 3 8.968 -0.378 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.220 -2.844 0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.484 -3.005 0.381 1.00 0.00 H new ATOM 59 N TYR A 4 5.777 -0.333 1.244 1.00 0.00 N ATOM 60 CA TYR A 4 4.459 0.197 0.913 1.00 0.00 C ATOM 61 C TYR A 4 3.841 -0.524 -0.277 1.00 0.00 C ATOM 62 O TYR A 4 2.808 -1.164 -0.095 1.00 0.00 O ATOM 63 CB TYR A 4 4.430 1.722 0.733 1.00 0.00 C ATOM 64 CG TYR A 4 4.766 2.547 1.958 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.022 2.383 3.142 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.723 3.574 1.883 1.00 0.00 C ATOM 67 CE1 TYR A 4 4.190 3.268 4.218 1.00 0.00 C ATOM 68 CE2 TYR A 4 5.936 4.432 2.980 1.00 0.00 C ATOM 69 CZ TYR A 4 5.145 4.299 4.139 1.00 0.00 C ATOM 70 OH TYR A 4 5.356 5.118 5.203 1.00 0.00 O ATOM 0 H TYR A 4 5.774 -0.786 2.158 1.00 0.00 H new ATOM 0 HA TYR A 4 3.837 -0.006 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.129 1.987 -0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.436 2.008 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.316 1.569 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.299 3.706 0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 4 3.586 3.158 5.107 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.704 5.190 2.933 1.00 0.00 H new ATOM 0 HH TYR A 4 4.619 5.022 5.841 1.00 0.00 H new ATOM 80 N TYR A 5 4.449 -0.459 -1.463 1.00 0.00 N ATOM 81 CA TYR A 5 3.982 -1.155 -2.653 1.00 0.00 C ATOM 82 C TYR A 5 3.840 -2.640 -2.327 1.00 0.00 C ATOM 83 O TYR A 5 2.742 -3.185 -2.404 1.00 0.00 O ATOM 84 CB TYR A 5 4.932 -0.886 -3.829 1.00 0.00 C ATOM 85 CG TYR A 5 4.488 0.294 -4.670 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.671 1.613 -4.208 1.00 0.00 C ATOM 87 CD2 TYR A 5 3.833 0.069 -5.893 1.00 0.00 C ATOM 88 CE1 TYR A 5 4.218 2.703 -4.974 1.00 0.00 C ATOM 89 CE2 TYR A 5 3.360 1.150 -6.651 1.00 0.00 C ATOM 90 CZ TYR A 5 3.550 2.474 -6.199 1.00 0.00 C ATOM 91 OH TYR A 5 3.069 3.516 -6.931 1.00 0.00 O ATOM 0 H TYR A 5 5.294 0.090 -1.621 1.00 0.00 H new ATOM 0 HA TYR A 5 3.003 -0.786 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.936 -0.700 -3.447 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.990 -1.775 -4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.161 1.788 -3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.693 -0.940 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.380 3.713 -4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 5 2.848 0.969 -7.585 1.00 0.00 H new ATOM 0 HH TYR A 5 2.640 3.175 -7.743 1.00 0.00 H new ATOM 101 N GLN A 6 4.912 -3.294 -1.890 1.00 0.00 N ATOM 102 CA GLN A 6 4.894 -4.709 -1.559 1.00 0.00 C ATOM 103 C GLN A 6 4.118 -4.980 -0.267 1.00 0.00 C ATOM 104 O GLN A 6 3.503 -6.041 -0.149 1.00 0.00 O ATOM 105 CB GLN A 6 6.337 -5.205 -1.452 1.00 0.00 C ATOM 106 CG GLN A 6 6.478 -6.725 -1.553 1.00 0.00 C ATOM 107 CD GLN A 6 7.927 -7.129 -1.305 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.225 -7.818 -0.332 1.00 0.00 O ATOM 109 NE2 GLN A 6 8.857 -6.698 -2.135 1.00 0.00 N ATOM 0 H GLN A 6 5.821 -2.852 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 6 4.377 -5.253 -2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.930 -4.742 -2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.756 -4.873 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.827 -7.209 -0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.161 -7.064 -2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.598 -6.127 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.835 -6.936 -1.973 1.00 0.00 H new ATOM 118 N THR A 7 4.078 -4.036 0.681 1.00 0.00 N ATOM 119 CA THR A 7 3.211 -4.122 1.864 1.00 0.00 C ATOM 120 C THR A 7 1.731 -4.205 1.444 1.00 0.00 C ATOM 121 O THR A 7 0.915 -4.819 2.135 1.00 0.00 O ATOM 122 CB THR A 7 3.498 -2.922 2.795 1.00 0.00 C ATOM 123 OG1 THR A 7 4.903 -2.756 2.932 1.00 0.00 O ATOM 124 CG2 THR A 7 2.885 -3.028 4.202 1.00 0.00 C ATOM 0 H THR A 7 4.646 -3.190 0.650 1.00 0.00 H new ATOM 0 HA THR A 7 3.427 -5.035 2.420 1.00 0.00 H new ATOM 0 HB THR A 7 3.023 -2.066 2.315 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.088 -2.103 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.142 -2.139 4.779 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.801 -3.107 4.122 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.277 -3.912 4.704 1.00 0.00 H new ATOM 132 N LEU A 8 1.410 -3.672 0.263 1.00 0.00 N ATOM 133 CA LEU A 8 0.112 -3.693 -0.394 1.00 0.00 C ATOM 134 C LEU A 8 0.103 -4.674 -1.587 1.00 0.00 C ATOM 135 O LEU A 8 -0.831 -4.656 -2.378 1.00 0.00 O ATOM 136 CB LEU A 8 -0.285 -2.248 -0.758 1.00 0.00 C ATOM 137 CG LEU A 8 -1.807 -2.068 -0.971 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.420 -1.057 -0.001 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.142 -1.624 -2.392 1.00 0.00 C ATOM 0 H LEU A 8 2.106 -3.179 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.652 -4.077 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.046 -1.577 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.240 -1.952 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.235 -3.053 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.489 -0.969 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.263 -1.394 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.945 -0.086 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.221 -1.511 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.656 -0.670 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.788 -2.373 -3.100 1.00 0.00 H new ATOM 151 N GLY A 9 1.093 -5.567 -1.711 1.00 0.00 N ATOM 152 CA GLY A 9 1.085 -6.677 -2.662 1.00 0.00 C ATOM 153 C GLY A 9 1.414 -6.279 -4.104 1.00 0.00 C ATOM 154 O GLY A 9 0.800 -6.809 -5.031 1.00 0.00 O ATOM 0 H GLY A 9 1.937 -5.534 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.804 -7.427 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.102 -7.148 -2.643 1.00 0.00 H new ATOM 158 N LEU A 10 2.341 -5.338 -4.315 1.00 0.00 N ATOM 159 CA LEU A 10 2.680 -4.760 -5.620 1.00 0.00 C ATOM 160 C LEU A 10 4.196 -4.597 -5.773 1.00 0.00 C ATOM 161 O LEU A 10 4.953 -4.871 -4.845 1.00 0.00 O ATOM 162 CB LEU A 10 2.021 -3.381 -5.741 1.00 0.00 C ATOM 163 CG LEU A 10 0.484 -3.395 -5.679 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.063 -2.123 -4.974 1.00 0.00 C ATOM 165 CD2 LEU A 10 -0.127 -3.444 -7.075 1.00 0.00 C ATOM 0 H LEU A 10 2.895 -4.944 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 10 2.320 -5.431 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.397 -2.742 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.329 -2.928 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 10 0.137 -4.281 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.024 -2.088 -4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.490 -2.104 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.419 -1.260 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.214 -3.453 -6.996 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.189 -2.568 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.207 -4.346 -7.587 1.00 0.00 H new ATOM 177 N ALA A 11 4.623 -4.078 -6.929 1.00 0.00 N ATOM 178 CA ALA A 11 5.942 -3.513 -7.201 1.00 0.00 C ATOM 179 C ALA A 11 5.774 -2.195 -7.934 1.00 0.00 C ATOM 180 O ALA A 11 4.695 -1.904 -8.465 1.00 0.00 O ATOM 181 CB ALA A 11 6.756 -4.447 -8.099 1.00 0.00 C ATOM 0 H ALA A 11 4.017 -4.041 -7.748 1.00 0.00 H new ATOM 0 HA ALA A 11 6.460 -3.375 -6.252 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.735 -4.007 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.881 -5.410 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.233 -4.590 -9.044 1.00 0.00 H new ATOM 187 N ARG A 12 6.886 -1.473 -8.065 1.00 0.00 N ATOM 188 CA ARG A 12 7.010 -0.386 -9.018 1.00 0.00 C ATOM 189 C ARG A 12 6.665 -0.938 -10.404 1.00 0.00 C ATOM 190 O ARG A 12 7.311 -1.876 -10.871 1.00 0.00 O ATOM 191 CB ARG A 12 8.434 0.189 -9.021 1.00 0.00 C ATOM 192 CG ARG A 12 9.073 0.532 -7.661 1.00 0.00 C ATOM 193 CD ARG A 12 10.094 -0.542 -7.229 1.00 0.00 C ATOM 194 NE ARG A 12 11.155 -0.033 -6.340 1.00 0.00 N ATOM 195 CZ ARG A 12 12.183 0.753 -6.693 1.00 0.00 C ATOM 196 NH1 ARG A 12 12.231 1.293 -7.904 1.00 0.00 N ATOM 197 NH2 ARG A 12 13.179 1.000 -5.856 1.00 0.00 N ATOM 0 H ARG A 12 7.726 -1.631 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 12 6.332 0.422 -8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.083 -0.527 -9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.428 1.095 -9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.568 1.501 -7.724 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.294 0.621 -6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.565 -1.349 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.554 -0.971 -8.119 1.00 0.00 H new ATOM 0 HE ARG A 12 11.102 -0.306 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.483 1.111 -8.573 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.016 1.890 -8.166 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.174 0.590 -4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.951 1.601 -6.145 1.00 0.00 H new ATOM 211 N GLY A 13 5.620 -0.413 -11.025 1.00 0.00 N ATOM 212 CA GLY A 13 5.153 -0.723 -12.373 1.00 0.00 C ATOM 213 C GLY A 13 3.644 -0.972 -12.432 1.00 0.00 C ATOM 214 O GLY A 13 3.112 -1.277 -13.504 1.00 0.00 O ATOM 0 H GLY A 13 5.034 0.289 -10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.408 0.101 -13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.677 -1.605 -12.741 1.00 0.00 H new ATOM 218 N ALA A 14 2.953 -0.893 -11.296 1.00 0.00 N ATOM 219 CA ALA A 14 1.521 -1.091 -11.176 1.00 0.00 C ATOM 220 C ALA A 14 0.777 0.125 -11.731 1.00 0.00 C ATOM 221 O ALA A 14 1.101 1.261 -11.368 1.00 0.00 O ATOM 222 CB ALA A 14 1.210 -1.263 -9.690 1.00 0.00 C ATOM 0 H ALA A 14 3.398 -0.681 -10.403 1.00 0.00 H new ATOM 0 HA ALA A 14 1.203 -1.968 -11.740 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.139 -1.415 -9.558 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.750 -2.127 -9.303 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.519 -0.370 -9.148 1.00 0.00 H new ATOM 228 N SER A 15 -0.253 -0.095 -12.552 1.00 0.00 N ATOM 229 CA SER A 15 -1.207 0.962 -12.857 1.00 0.00 C ATOM 230 C SER A 15 -1.942 1.331 -11.576 1.00 0.00 C ATOM 231 O SER A 15 -1.976 0.565 -10.605 1.00 0.00 O ATOM 232 CB SER A 15 -2.164 0.528 -13.979 1.00 0.00 C ATOM 233 OG SER A 15 -3.010 -0.518 -13.545 1.00 0.00 O ATOM 0 H SER A 15 -0.443 -0.986 -13.010 1.00 0.00 H new ATOM 0 HA SER A 15 -0.687 1.846 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.766 1.379 -14.298 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.590 0.201 -14.846 1.00 0.00 H new ATOM 0 HG SER A 15 -3.611 -0.777 -14.274 1.00 0.00 H new ATOM 239 N ASP A 16 -2.571 2.502 -11.558 1.00 0.00 N ATOM 240 CA ASP A 16 -3.245 2.939 -10.347 1.00 0.00 C ATOM 241 C ASP A 16 -4.529 2.127 -10.102 1.00 0.00 C ATOM 242 O ASP A 16 -5.104 2.183 -9.011 1.00 0.00 O ATOM 243 CB ASP A 16 -3.507 4.446 -10.366 1.00 0.00 C ATOM 244 CG ASP A 16 -2.241 5.255 -10.089 1.00 0.00 C ATOM 245 OD1 ASP A 16 -1.587 5.026 -9.043 1.00 0.00 O ATOM 246 OD2 ASP A 16 -1.939 6.164 -10.897 1.00 0.00 O ATOM 0 H ASP A 16 -2.627 3.148 -12.346 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.580 2.747 -9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.913 4.730 -11.337 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.263 4.691 -9.620 1.00 0.00 H new ATOM 251 N GLU A 17 -4.977 1.357 -11.099 1.00 0.00 N ATOM 252 CA GLU A 17 -6.067 0.396 -11.002 1.00 0.00 C ATOM 253 C GLU A 17 -5.542 -0.952 -10.503 1.00 0.00 C ATOM 254 O GLU A 17 -6.300 -1.704 -9.900 1.00 0.00 O ATOM 255 CB GLU A 17 -6.752 0.239 -12.374 1.00 0.00 C ATOM 256 CG GLU A 17 -8.289 0.163 -12.313 1.00 0.00 C ATOM 257 CD GLU A 17 -8.863 -1.090 -11.645 1.00 0.00 C ATOM 258 OE1 GLU A 17 -8.591 -2.206 -12.144 1.00 0.00 O ATOM 259 OE2 GLU A 17 -9.634 -0.950 -10.658 1.00 0.00 O ATOM 0 H GLU A 17 -4.569 1.392 -12.033 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.802 0.763 -10.286 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.467 1.079 -13.007 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.375 -0.664 -12.854 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.657 1.039 -11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.679 0.222 -13.329 1.00 0.00 H new ATOM 266 N GLU A 18 -4.261 -1.283 -10.702 1.00 0.00 N ATOM 267 CA GLU A 18 -3.656 -2.485 -10.125 1.00 0.00 C ATOM 268 C GLU A 18 -3.434 -2.199 -8.647 1.00 0.00 C ATOM 269 O GLU A 18 -3.634 -3.061 -7.799 1.00 0.00 O ATOM 270 CB GLU A 18 -2.334 -2.819 -10.835 1.00 0.00 C ATOM 271 CG GLU A 18 -2.150 -4.315 -11.139 1.00 0.00 C ATOM 272 CD GLU A 18 -1.494 -5.113 -10.006 1.00 0.00 C ATOM 273 OE1 GLU A 18 -0.242 -5.135 -9.928 1.00 0.00 O ATOM 274 OE2 GLU A 18 -2.210 -5.790 -9.230 1.00 0.00 O ATOM 0 H GLU A 18 -3.618 -0.726 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.305 -3.352 -10.251 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.283 -2.260 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.504 -2.480 -10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.124 -4.752 -11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.544 -4.419 -12.039 1.00 0.00 H new ATOM 281 N ILE A 19 -3.124 -0.939 -8.340 1.00 0.00 N ATOM 282 CA ILE A 19 -3.100 -0.408 -7.000 1.00 0.00 C ATOM 283 C ILE A 19 -4.490 -0.558 -6.398 1.00 0.00 C ATOM 284 O ILE A 19 -4.630 -1.337 -5.468 1.00 0.00 O ATOM 285 CB ILE A 19 -2.504 1.015 -7.008 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.991 0.845 -7.259 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.846 1.818 -5.744 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.165 2.119 -7.201 1.00 0.00 C ATOM 0 H ILE A 19 -2.877 -0.248 -9.048 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.435 -0.965 -6.340 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.946 1.621 -7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.596 0.144 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.853 0.389 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.398 2.809 -5.811 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.928 1.914 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.455 1.301 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.882 1.883 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.522 2.819 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.261 2.570 -6.214 1.00 0.00 H new ATOM 300 N LYS A 20 -5.523 0.121 -6.906 1.00 0.00 N ATOM 301 CA LYS A 20 -6.871 0.045 -6.324 1.00 0.00 C ATOM 302 C LYS A 20 -7.429 -1.380 -6.279 1.00 0.00 C ATOM 303 O LYS A 20 -8.140 -1.709 -5.329 1.00 0.00 O ATOM 304 CB LYS A 20 -7.835 1.021 -7.020 1.00 0.00 C ATOM 305 CG LYS A 20 -7.638 2.423 -6.425 1.00 0.00 C ATOM 306 CD LYS A 20 -8.544 3.514 -7.013 1.00 0.00 C ATOM 307 CE LYS A 20 -8.167 3.953 -8.433 1.00 0.00 C ATOM 308 NZ LYS A 20 -6.788 4.474 -8.534 1.00 0.00 N ATOM 0 H LYS A 20 -5.453 0.731 -7.720 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.777 0.356 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.646 1.037 -8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.866 0.695 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.809 2.372 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.599 2.719 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.572 3.151 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.517 4.384 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.279 3.106 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.864 4.722 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.732 5.160 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.527 4.942 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.132 3.688 -8.717 1.00 0.00 H new ATOM 322 N ARG A 21 -7.080 -2.249 -7.232 1.00 0.00 N ATOM 323 CA ARG A 21 -7.325 -3.690 -7.148 1.00 0.00 C ATOM 324 C ARG A 21 -6.704 -4.227 -5.874 1.00 0.00 C ATOM 325 O ARG A 21 -7.413 -4.737 -5.006 1.00 0.00 O ATOM 326 CB ARG A 21 -6.728 -4.388 -8.378 1.00 0.00 C ATOM 327 CG ARG A 21 -6.674 -5.919 -8.311 1.00 0.00 C ATOM 328 CD ARG A 21 -6.154 -6.454 -9.650 1.00 0.00 C ATOM 329 NE ARG A 21 -5.640 -7.828 -9.564 1.00 0.00 N ATOM 330 CZ ARG A 21 -6.345 -8.955 -9.434 1.00 0.00 C ATOM 331 NH1 ARG A 21 -7.635 -8.926 -9.126 1.00 0.00 N ATOM 332 NH2 ARG A 21 -5.744 -10.124 -9.596 1.00 0.00 N ATOM 0 H ARG A 21 -6.613 -1.967 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.397 -3.885 -7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.310 -4.101 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.716 -4.013 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.022 -6.238 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.665 -6.323 -8.102 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.958 -6.419 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.362 -5.799 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.626 -7.933 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.105 -8.032 -8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.156 -9.798 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.749 -10.160 -9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.276 -10.989 -9.498 1.00 0.00 H new ATOM 346 N ALA A 22 -5.379 -4.149 -5.810 1.00 0.00 N ATOM 347 CA ALA A 22 -4.575 -4.652 -4.718 1.00 0.00 C ATOM 348 C ALA A 22 -5.100 -4.124 -3.388 1.00 0.00 C ATOM 349 O ALA A 22 -5.379 -4.934 -2.527 1.00 0.00 O ATOM 350 CB ALA A 22 -3.105 -4.328 -4.946 1.00 0.00 C ATOM 0 H ALA A 22 -4.822 -3.717 -6.547 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.653 -5.739 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.514 -4.714 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.770 -4.790 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.977 -3.248 -5.012 1.00 0.00 H new ATOM 356 N TYR A 23 -5.330 -2.824 -3.229 1.00 0.00 N ATOM 357 CA TYR A 23 -5.892 -2.115 -2.100 1.00 0.00 C ATOM 358 C TYR A 23 -7.135 -2.786 -1.524 1.00 0.00 C ATOM 359 O TYR A 23 -7.106 -3.236 -0.377 1.00 0.00 O ATOM 360 CB TYR A 23 -6.219 -0.744 -2.713 1.00 0.00 C ATOM 361 CG TYR A 23 -6.161 0.485 -1.889 1.00 0.00 C ATOM 362 CD1 TYR A 23 -4.905 1.089 -1.714 1.00 0.00 C ATOM 363 CD2 TYR A 23 -7.354 1.168 -1.603 1.00 0.00 C ATOM 364 CE1 TYR A 23 -4.832 2.403 -1.259 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.287 2.483 -1.138 1.00 0.00 C ATOM 366 CZ TYR A 23 -6.026 3.087 -0.977 1.00 0.00 C ATOM 367 OH TYR A 23 -5.972 4.357 -0.498 1.00 0.00 O ATOM 0 H TYR A 23 -5.097 -2.174 -3.980 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.213 -2.075 -1.248 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.541 -0.599 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.227 -0.808 -3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.002 0.538 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.309 0.683 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.876 2.887 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.190 3.029 -0.905 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.119 4.497 -0.037 1.00 0.00 H new ATOM 377 N ARG A 24 -8.228 -2.874 -2.293 1.00 0.00 N ATOM 378 CA ARG A 24 -9.449 -3.499 -1.789 1.00 0.00 C ATOM 379 C ARG A 24 -9.196 -4.970 -1.501 1.00 0.00 C ATOM 380 O ARG A 24 -9.642 -5.471 -0.473 1.00 0.00 O ATOM 381 CB ARG A 24 -10.642 -3.257 -2.728 1.00 0.00 C ATOM 382 CG ARG A 24 -10.524 -3.882 -4.127 1.00 0.00 C ATOM 383 CD ARG A 24 -11.705 -3.455 -4.999 1.00 0.00 C ATOM 384 NE ARG A 24 -11.508 -3.802 -6.415 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.448 -3.713 -7.365 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.701 -3.379 -7.078 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.140 -3.950 -8.631 1.00 0.00 N ATOM 0 H ARG A 24 -8.289 -2.526 -3.250 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.727 -3.028 -0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.542 -3.646 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.780 -2.182 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.588 -3.573 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.497 -4.969 -4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.615 -3.932 -4.634 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.851 -2.379 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.586 -4.136 -6.695 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.968 -3.182 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.396 -3.319 -7.822 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.185 -4.201 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.858 -3.881 -9.352 1.00 0.00 H new ATOM 401 N ARG A 25 -8.435 -5.654 -2.357 1.00 0.00 N ATOM 402 CA ARG A 25 -8.069 -7.051 -2.174 1.00 0.00 C ATOM 403 C ARG A 25 -7.210 -7.242 -0.922 1.00 0.00 C ATOM 404 O ARG A 25 -7.279 -8.309 -0.335 1.00 0.00 O ATOM 405 CB ARG A 25 -7.366 -7.508 -3.458 1.00 0.00 C ATOM 406 CG ARG A 25 -7.088 -9.009 -3.601 1.00 0.00 C ATOM 407 CD ARG A 25 -6.352 -9.169 -4.938 1.00 0.00 C ATOM 408 NE ARG A 25 -6.141 -10.568 -5.336 1.00 0.00 N ATOM 409 CZ ARG A 25 -5.239 -10.974 -6.237 1.00 0.00 C ATOM 410 NH1 ARG A 25 -4.242 -10.171 -6.592 1.00 0.00 N ATOM 411 NH2 ARG A 25 -5.356 -12.165 -6.803 1.00 0.00 N ATOM 0 H ARG A 25 -8.052 -5.243 -3.208 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.952 -7.668 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.973 -7.193 -4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.416 -6.979 -3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.481 -9.375 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.016 -9.582 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.920 -8.661 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.385 -8.670 -4.872 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.723 -11.280 -4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.163 -9.242 -6.177 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.556 -10.483 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.135 -12.774 -6.552 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.668 -12.473 -7.490 1.00 0.00 H new ATOM 425 N GLN A 26 -6.435 -6.252 -0.480 1.00 0.00 N ATOM 426 CA GLN A 26 -5.511 -6.298 0.642 1.00 0.00 C ATOM 427 C GLN A 26 -6.269 -6.040 1.934 1.00 0.00 C ATOM 428 O GLN A 26 -6.161 -6.827 2.874 1.00 0.00 O ATOM 429 CB GLN A 26 -4.419 -5.237 0.384 1.00 0.00 C ATOM 430 CG GLN A 26 -3.205 -5.862 -0.328 1.00 0.00 C ATOM 431 CD GLN A 26 -2.098 -6.402 0.584 1.00 0.00 C ATOM 432 OE1 GLN A 26 -1.428 -7.381 0.264 1.00 0.00 O ATOM 433 NE2 GLN A 26 -1.834 -5.770 1.717 1.00 0.00 N ATOM 0 H GLN A 26 -6.440 -5.337 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.041 -7.277 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.827 -4.430 -0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.104 -4.796 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.559 -6.677 -0.959 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.771 -5.112 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.387 -4.957 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.078 -6.096 2.319 1.00 0.00 H new ATOM 442 N ALA A 27 -7.073 -4.976 1.967 1.00 0.00 N ATOM 443 CA ALA A 27 -7.993 -4.723 3.064 1.00 0.00 C ATOM 444 C ALA A 27 -8.944 -5.912 3.247 1.00 0.00 C ATOM 445 O ALA A 27 -9.251 -6.266 4.376 1.00 0.00 O ATOM 446 CB ALA A 27 -8.750 -3.426 2.787 1.00 0.00 C ATOM 0 H ALA A 27 -7.101 -4.269 1.232 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.441 -4.609 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.443 -3.227 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.041 -2.602 2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.307 -3.522 1.855 1.00 0.00 H new ATOM 452 N LEU A 28 -9.372 -6.564 2.160 1.00 0.00 N ATOM 453 CA LEU A 28 -10.125 -7.814 2.209 1.00 0.00 C ATOM 454 C LEU A 28 -9.252 -8.934 2.777 1.00 0.00 C ATOM 455 O LEU A 28 -9.634 -9.573 3.749 1.00 0.00 O ATOM 456 CB LEU A 28 -10.645 -8.173 0.808 1.00 0.00 C ATOM 457 CG LEU A 28 -11.445 -9.488 0.746 1.00 0.00 C ATOM 458 CD1 LEU A 28 -12.801 -9.355 1.452 1.00 0.00 C ATOM 459 CD2 LEU A 28 -11.656 -9.848 -0.727 1.00 0.00 C ATOM 0 H LEU A 28 -9.201 -6.231 1.211 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.984 -7.688 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.276 -7.360 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.798 -8.244 0.126 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.887 -10.271 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.338 -10.301 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.642 -9.097 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.387 -8.572 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.221 -10.777 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.209 -9.049 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.688 -9.974 -1.213 1.00 0.00 H new ATOM 471 N ARG A 29 -8.073 -9.179 2.200 1.00 0.00 N ATOM 472 CA ARG A 29 -7.204 -10.305 2.511 1.00 0.00 C ATOM 473 C ARG A 29 -6.901 -10.373 4.001 1.00 0.00 C ATOM 474 O ARG A 29 -6.915 -11.464 4.566 1.00 0.00 O ATOM 475 CB ARG A 29 -5.923 -10.141 1.671 1.00 0.00 C ATOM 476 CG ARG A 29 -4.774 -11.064 2.055 1.00 0.00 C ATOM 477 CD ARG A 29 -5.119 -12.555 1.940 1.00 0.00 C ATOM 478 NE ARG A 29 -4.900 -13.242 3.218 1.00 0.00 N ATOM 479 CZ ARG A 29 -3.724 -13.662 3.697 1.00 0.00 C ATOM 480 NH1 ARG A 29 -2.597 -13.453 3.017 1.00 0.00 N ATOM 481 NH2 ARG A 29 -3.705 -14.287 4.867 1.00 0.00 N ATOM 0 H ARG A 29 -7.687 -8.572 1.476 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.693 -11.247 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.170 -10.311 0.623 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.582 -9.109 1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.917 -10.848 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.472 -10.847 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.159 -12.669 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.506 -13.016 1.165 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.722 -13.416 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.625 -12.968 2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.707 -13.778 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.574 -14.437 5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.821 -14.617 5.254 1.00 0.00 H new ATOM 495 N TYR A 30 -6.626 -9.227 4.620 1.00 0.00 N ATOM 496 CA TYR A 30 -6.300 -9.097 6.028 1.00 0.00 C ATOM 497 C TYR A 30 -7.461 -8.475 6.810 1.00 0.00 C ATOM 498 O TYR A 30 -7.251 -8.041 7.941 1.00 0.00 O ATOM 499 CB TYR A 30 -4.981 -8.324 6.181 1.00 0.00 C ATOM 500 CG TYR A 30 -3.807 -8.949 5.442 1.00 0.00 C ATOM 501 CD1 TYR A 30 -3.076 -10.011 6.012 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.452 -8.471 4.168 1.00 0.00 C ATOM 503 CE1 TYR A 30 -1.986 -10.573 5.319 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.349 -9.004 3.486 1.00 0.00 C ATOM 505 CZ TYR A 30 -1.597 -10.048 4.066 1.00 0.00 C ATOM 506 OH TYR A 30 -0.501 -10.533 3.425 1.00 0.00 O ATOM 0 H TYR A 30 -6.626 -8.332 4.131 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.150 -10.085 6.462 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.124 -7.306 5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.734 -8.254 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.352 -10.395 6.983 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.035 -7.685 3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.447 -11.406 5.746 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.075 -8.615 2.516 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.382 -10.058 2.576 1.00 0.00 H new ATOM 516 N HIS A 31 -8.683 -8.440 6.257 1.00 0.00 N ATOM 517 CA HIS A 31 -9.860 -8.020 7.008 1.00 0.00 C ATOM 518 C HIS A 31 -9.935 -8.940 8.225 1.00 0.00 C ATOM 519 O HIS A 31 -9.876 -10.162 8.048 1.00 0.00 O ATOM 520 CB HIS A 31 -11.162 -8.091 6.183 1.00 0.00 C ATOM 521 CG HIS A 31 -12.086 -6.932 6.418 1.00 0.00 C ATOM 522 ND1 HIS A 31 -12.933 -6.763 7.483 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.279 -5.880 5.570 1.00 0.00 C ATOM 524 CE1 HIS A 31 -13.581 -5.606 7.320 1.00 0.00 C ATOM 525 NE2 HIS A 31 -13.204 -5.017 6.171 1.00 0.00 N ATOM 0 H HIS A 31 -8.875 -8.700 5.289 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.764 -6.972 7.291 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.909 -8.134 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.685 -9.017 6.424 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -13.048 -7.409 8.264 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.805 -5.739 4.610 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.304 -5.201 8.012 1.00 0.00 H new ATOM 533 N PRO A 32 -10.079 -8.415 9.448 1.00 0.00 N ATOM 534 CA PRO A 32 -10.007 -9.226 10.652 1.00 0.00 C ATOM 535 C PRO A 32 -11.076 -10.310 10.648 1.00 0.00 C ATOM 536 O PRO A 32 -10.822 -11.428 11.105 1.00 0.00 O ATOM 537 CB PRO A 32 -10.200 -8.249 11.808 1.00 0.00 C ATOM 538 CG PRO A 32 -10.894 -7.043 11.175 1.00 0.00 C ATOM 539 CD PRO A 32 -10.295 -7.022 9.781 1.00 0.00 C ATOM 0 HA PRO A 32 -9.056 -9.753 10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.807 -8.686 12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.246 -7.969 12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.977 -7.163 11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.688 -6.122 11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.968 -6.545 9.069 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.360 -6.461 9.761 1.00 0.00 H new ATOM 547 N ASP A 33 -12.246 -9.990 10.093 1.00 0.00 N ATOM 548 CA ASP A 33 -13.367 -10.907 9.990 1.00 0.00 C ATOM 549 C ASP A 33 -13.281 -11.826 8.765 1.00 0.00 C ATOM 550 O ASP A 33 -13.967 -12.848 8.733 1.00 0.00 O ATOM 551 CB ASP A 33 -14.696 -10.146 10.015 1.00 0.00 C ATOM 552 CG ASP A 33 -15.080 -9.543 8.675 1.00 0.00 C ATOM 553 OD1 ASP A 33 -15.688 -10.233 7.833 1.00 0.00 O ATOM 554 OD2 ASP A 33 -14.833 -8.331 8.515 1.00 0.00 O ATOM 0 H ASP A 33 -12.438 -9.069 9.698 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.318 -11.557 10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.486 -10.823 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.635 -9.350 10.757 1.00 0.00 H new ATOM 559 N LYS A 34 -12.443 -11.513 7.765 1.00 0.00 N ATOM 560 CA LYS A 34 -12.291 -12.351 6.574 1.00 0.00 C ATOM 561 C LYS A 34 -11.217 -13.389 6.893 1.00 0.00 C ATOM 562 O LYS A 34 -11.432 -14.584 6.709 1.00 0.00 O ATOM 563 CB LYS A 34 -11.857 -11.508 5.347 1.00 0.00 C ATOM 564 CG LYS A 34 -11.358 -12.307 4.120 1.00 0.00 C ATOM 565 CD LYS A 34 -12.469 -12.859 3.222 1.00 0.00 C ATOM 566 CE LYS A 34 -13.266 -14.003 3.859 1.00 0.00 C ATOM 567 NZ LYS A 34 -14.678 -13.638 4.099 1.00 0.00 N ATOM 0 H LYS A 34 -11.857 -10.678 7.762 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.241 -12.823 6.324 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.701 -10.893 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.065 -10.828 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.712 -11.664 3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.745 -13.138 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.153 -12.050 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.029 -13.211 2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.225 -14.877 3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.801 -14.285 4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.172 -14.437 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.721 -12.810 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.136 -13.410 3.194 1.00 0.00 H new ATOM 581 N ASN A 35 -10.043 -12.921 7.322 1.00 0.00 N ATOM 582 CA ASN A 35 -8.799 -13.686 7.325 1.00 0.00 C ATOM 583 C ASN A 35 -8.710 -14.606 8.526 1.00 0.00 C ATOM 584 O ASN A 35 -7.854 -15.489 8.559 1.00 0.00 O ATOM 585 CB ASN A 35 -7.601 -12.719 7.438 1.00 0.00 C ATOM 586 CG ASN A 35 -6.295 -13.268 6.867 1.00 0.00 C ATOM 587 OD1 ASN A 35 -6.231 -14.336 6.260 1.00 0.00 O ATOM 588 ND2 ASN A 35 -5.215 -12.526 7.043 1.00 0.00 N ATOM 0 H ASN A 35 -9.931 -11.975 7.686 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.781 -14.266 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.848 -11.791 6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.448 -12.469 8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.317 -12.837 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.280 -11.642 7.548 1.00 0.00 H new ATOM 595 N LYS A 36 -9.524 -14.315 9.544 1.00 0.00 N ATOM 596 CA LYS A 36 -9.452 -14.669 10.949 1.00 0.00 C ATOM 597 C LYS A 36 -8.138 -14.293 11.639 1.00 0.00 C ATOM 598 O LYS A 36 -8.161 -14.032 12.838 1.00 0.00 O ATOM 599 CB LYS A 36 -9.811 -16.134 11.145 1.00 0.00 C ATOM 600 CG LYS A 36 -11.266 -16.485 10.801 1.00 0.00 C ATOM 601 CD LYS A 36 -11.639 -17.835 11.427 1.00 0.00 C ATOM 602 CE LYS A 36 -12.940 -18.422 10.874 1.00 0.00 C ATOM 603 NZ LYS A 36 -14.094 -17.516 11.037 1.00 0.00 N ATOM 0 H LYS A 36 -10.356 -13.751 9.369 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.196 -14.054 11.455 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.149 -16.743 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.621 -16.406 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.934 -15.706 11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.393 -16.528 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.828 -18.543 11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.734 -17.713 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.809 -18.649 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.151 -19.365 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.955 -17.985 10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.209 -17.278 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.932 -16.645 10.492 1.00 0.00 H new ATOM 617 N GLU A 37 -7.043 -14.194 10.890 1.00 0.00 N ATOM 618 CA GLU A 37 -5.669 -14.113 11.317 1.00 0.00 C ATOM 619 C GLU A 37 -5.487 -13.179 12.519 1.00 0.00 C ATOM 620 O GLU A 37 -5.864 -12.008 12.437 1.00 0.00 O ATOM 621 CB GLU A 37 -4.831 -13.729 10.099 1.00 0.00 C ATOM 622 CG GLU A 37 -3.365 -13.495 10.450 1.00 0.00 C ATOM 623 CD GLU A 37 -2.495 -13.413 9.197 1.00 0.00 C ATOM 624 OE1 GLU A 37 -2.637 -12.451 8.408 1.00 0.00 O ATOM 625 OE2 GLU A 37 -1.666 -14.330 8.984 1.00 0.00 O ATOM 0 H GLU A 37 -7.114 -14.167 9.873 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.326 -15.078 11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.901 -14.518 9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.242 -12.826 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.270 -12.572 11.021 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.009 -14.303 11.089 1.00 0.00 H new ATOM 632 N PRO A 38 -4.955 -13.665 13.649 1.00 0.00 N ATOM 633 CA PRO A 38 -4.815 -12.852 14.841 1.00 0.00 C ATOM 634 C PRO A 38 -3.702 -11.821 14.622 1.00 0.00 C ATOM 635 O PRO A 38 -2.620 -12.138 14.116 1.00 0.00 O ATOM 636 CB PRO A 38 -4.524 -13.849 15.958 1.00 0.00 C ATOM 637 CG PRO A 38 -3.782 -14.977 15.248 1.00 0.00 C ATOM 638 CD PRO A 38 -4.415 -15.000 13.862 1.00 0.00 C ATOM 0 HA PRO A 38 -5.700 -12.267 15.092 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.916 -13.403 16.745 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.441 -14.205 16.426 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.711 -14.783 15.197 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.910 -15.929 15.764 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.677 -15.249 13.099 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.201 -15.753 13.804 1.00 0.00 H new ATOM 646 N GLY A 39 -3.967 -10.570 14.984 1.00 0.00 N ATOM 647 CA GLY A 39 -3.101 -9.434 14.701 1.00 0.00 C ATOM 648 C GLY A 39 -3.290 -8.894 13.281 1.00 0.00 C ATOM 649 O GLY A 39 -2.689 -7.866 12.952 1.00 0.00 O ATOM 0 H GLY A 39 -4.812 -10.313 15.495 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.303 -8.639 15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.061 -9.730 14.838 1.00 0.00 H new ATOM 653 N ALA A 40 -4.131 -9.518 12.439 1.00 0.00 N ATOM 654 CA ALA A 40 -4.486 -8.945 11.145 1.00 0.00 C ATOM 655 C ALA A 40 -5.239 -7.634 11.328 1.00 0.00 C ATOM 656 O ALA A 40 -5.094 -6.749 10.494 1.00 0.00 O ATOM 657 CB ALA A 40 -5.316 -9.904 10.298 1.00 0.00 C ATOM 0 H ALA A 40 -4.572 -10.416 12.637 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.552 -8.756 10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.556 -9.433 9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.748 -10.817 10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.239 -10.149 10.824 1.00 0.00 H new ATOM 663 N GLU A 41 -5.993 -7.476 12.421 1.00 0.00 N ATOM 664 CA GLU A 41 -6.736 -6.251 12.695 1.00 0.00 C ATOM 665 C GLU A 41 -5.791 -5.057 12.871 1.00 0.00 C ATOM 666 O GLU A 41 -6.150 -3.933 12.536 1.00 0.00 O ATOM 667 CB GLU A 41 -7.633 -6.475 13.925 1.00 0.00 C ATOM 668 CG GLU A 41 -8.828 -5.502 13.961 1.00 0.00 C ATOM 669 CD GLU A 41 -10.116 -6.071 14.585 1.00 0.00 C ATOM 670 OE1 GLU A 41 -10.268 -7.305 14.748 1.00 0.00 O ATOM 671 OE2 GLU A 41 -11.031 -5.275 14.899 1.00 0.00 O ATOM 0 H GLU A 41 -6.102 -8.195 13.137 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.372 -6.009 11.844 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.002 -7.501 13.921 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.040 -6.353 14.832 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.535 -4.612 14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.047 -5.182 12.942 1.00 0.00 H new ATOM 678 N GLU A 42 -4.560 -5.290 13.341 1.00 0.00 N ATOM 679 CA GLU A 42 -3.536 -4.255 13.392 1.00 0.00 C ATOM 680 C GLU A 42 -2.768 -4.182 12.073 1.00 0.00 C ATOM 681 O GLU A 42 -2.447 -3.092 11.601 1.00 0.00 O ATOM 682 CB GLU A 42 -2.607 -4.507 14.579 1.00 0.00 C ATOM 683 CG GLU A 42 -1.606 -3.355 14.737 1.00 0.00 C ATOM 684 CD GLU A 42 -0.818 -3.481 16.032 1.00 0.00 C ATOM 685 OE1 GLU A 42 -0.237 -4.565 16.270 1.00 0.00 O ATOM 686 OE2 GLU A 42 -0.769 -2.489 16.795 1.00 0.00 O ATOM 0 H GLU A 42 -4.253 -6.197 13.693 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.013 -3.286 13.534 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.194 -4.613 15.491 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.070 -5.445 14.435 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.920 -3.348 13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.138 -2.404 14.724 1.00 0.00 H new ATOM 693 N LYS A 43 -2.512 -5.318 11.421 1.00 0.00 N ATOM 694 CA LYS A 43 -1.905 -5.342 10.092 1.00 0.00 C ATOM 695 C LYS A 43 -2.713 -4.499 9.117 1.00 0.00 C ATOM 696 O LYS A 43 -2.148 -3.854 8.246 1.00 0.00 O ATOM 697 CB LYS A 43 -1.758 -6.781 9.573 1.00 0.00 C ATOM 698 CG LYS A 43 -0.349 -7.045 9.023 1.00 0.00 C ATOM 699 CD LYS A 43 -0.087 -6.459 7.622 1.00 0.00 C ATOM 700 CE LYS A 43 1.323 -5.868 7.500 1.00 0.00 C ATOM 701 NZ LYS A 43 2.368 -6.900 7.593 1.00 0.00 N ATOM 0 H LYS A 43 -2.719 -6.243 11.799 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.906 -4.913 10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.971 -7.482 10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.494 -6.962 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.382 -6.631 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.182 -8.122 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.219 -7.239 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.824 -5.685 7.409 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.415 -5.345 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.474 -5.128 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.304 -6.455 7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.299 -7.383 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.241 -7.593 6.828 1.00 0.00 H new ATOM 715 N PHE A 44 -4.027 -4.475 9.288 1.00 0.00 N ATOM 716 CA PHE A 44 -4.956 -3.726 8.461 1.00 0.00 C ATOM 717 C PHE A 44 -4.551 -2.242 8.544 1.00 0.00 C ATOM 718 O PHE A 44 -4.536 -1.544 7.531 1.00 0.00 O ATOM 719 CB PHE A 44 -6.382 -4.000 8.954 1.00 0.00 C ATOM 720 CG PHE A 44 -7.503 -3.437 8.098 1.00 0.00 C ATOM 721 CD1 PHE A 44 -7.672 -2.063 7.834 1.00 0.00 C ATOM 722 CD2 PHE A 44 -8.365 -4.365 7.483 1.00 0.00 C ATOM 723 CE1 PHE A 44 -8.672 -1.646 6.933 1.00 0.00 C ATOM 724 CE2 PHE A 44 -9.391 -3.938 6.629 1.00 0.00 C ATOM 725 CZ PHE A 44 -9.543 -2.574 6.346 1.00 0.00 C ATOM 0 H PHE A 44 -4.490 -4.996 10.033 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.926 -4.024 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.517 -5.079 9.031 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.481 -3.594 9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.039 -1.334 8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.234 -5.420 7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.769 -0.598 6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.064 -4.659 6.189 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.325 -2.240 5.681 1.00 0.00 H new ATOM 735 N LYS A 45 -4.229 -1.724 9.736 1.00 0.00 N ATOM 736 CA LYS A 45 -3.730 -0.360 9.891 1.00 0.00 C ATOM 737 C LYS A 45 -2.294 -0.170 9.392 1.00 0.00 C ATOM 738 O LYS A 45 -1.913 0.947 9.057 1.00 0.00 O ATOM 739 CB LYS A 45 -3.969 0.175 11.311 1.00 0.00 C ATOM 740 CG LYS A 45 -2.774 0.175 12.284 1.00 0.00 C ATOM 741 CD LYS A 45 -3.256 0.290 13.736 1.00 0.00 C ATOM 742 CE LYS A 45 -4.059 1.579 13.954 1.00 0.00 C ATOM 743 NZ LYS A 45 -4.927 1.491 15.141 1.00 0.00 N ATOM 0 H LYS A 45 -4.308 -2.239 10.613 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.325 0.264 9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.334 1.199 11.227 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.769 -0.413 11.761 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.197 -0.741 12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.108 1.006 12.050 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.873 -0.573 13.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.399 0.274 14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.374 2.419 14.067 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.668 1.781 13.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.452 2.381 15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.598 0.705 15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.344 1.324 15.986 1.00 0.00 H new ATOM 757 N GLU A 46 -1.493 -1.225 9.255 1.00 0.00 N ATOM 758 CA GLU A 46 -0.178 -1.154 8.624 1.00 0.00 C ATOM 759 C GLU A 46 -0.371 -1.002 7.114 1.00 0.00 C ATOM 760 O GLU A 46 0.251 -0.149 6.484 1.00 0.00 O ATOM 761 CB GLU A 46 0.591 -2.434 8.965 1.00 0.00 C ATOM 762 CG GLU A 46 1.945 -2.188 9.628 1.00 0.00 C ATOM 763 CD GLU A 46 3.097 -1.899 8.664 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.399 -2.778 7.826 1.00 0.00 O ATOM 765 OE2 GLU A 46 3.753 -0.838 8.831 1.00 0.00 O ATOM 0 H GLU A 46 -1.741 -2.159 9.581 1.00 0.00 H new ATOM 0 HA GLU A 46 0.393 -0.299 8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.020 -3.047 9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.745 -3.008 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.848 -1.348 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.203 -3.062 10.226 1.00 0.00 H new ATOM 772 N ILE A 47 -1.324 -1.752 6.550 1.00 0.00 N ATOM 773 CA ILE A 47 -1.823 -1.555 5.197 1.00 0.00 C ATOM 774 C ILE A 47 -2.325 -0.117 5.074 1.00 0.00 C ATOM 775 O ILE A 47 -2.040 0.488 4.052 1.00 0.00 O ATOM 776 CB ILE A 47 -2.887 -2.615 4.834 1.00 0.00 C ATOM 777 CG1 ILE A 47 -2.225 -4.006 4.818 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.572 -2.361 3.476 1.00 0.00 C ATOM 779 CD1 ILE A 47 -3.261 -5.121 4.750 1.00 0.00 C ATOM 0 H ILE A 47 -1.775 -2.527 7.036 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.024 -1.697 4.469 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.667 -2.555 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.554 -4.080 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.615 -4.129 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.306 -3.144 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.071 -1.392 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.823 -2.367 2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.756 -6.087 4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.916 -5.063 5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.853 -5.012 3.841 1.00 0.00 H new ATOM 791 N ALA A 48 -2.988 0.454 6.092 1.00 0.00 N ATOM 792 CA ALA A 48 -3.543 1.806 6.046 1.00 0.00 C ATOM 793 C ALA A 48 -2.458 2.865 5.837 1.00 0.00 C ATOM 794 O ALA A 48 -2.722 3.892 5.208 1.00 0.00 O ATOM 795 CB ALA A 48 -4.380 2.123 7.283 1.00 0.00 C ATOM 0 H ALA A 48 -3.153 -0.021 6.980 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.206 1.837 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.773 3.137 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.208 1.418 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.758 2.041 8.174 1.00 0.00 H new ATOM 801 N GLU A 49 -1.239 2.611 6.312 1.00 0.00 N ATOM 802 CA GLU A 49 -0.091 3.478 6.061 1.00 0.00 C ATOM 803 C GLU A 49 0.278 3.420 4.575 1.00 0.00 C ATOM 804 O GLU A 49 0.467 4.447 3.928 1.00 0.00 O ATOM 805 CB GLU A 49 1.092 3.063 6.958 1.00 0.00 C ATOM 806 CG GLU A 49 1.687 4.207 7.795 1.00 0.00 C ATOM 807 CD GLU A 49 2.035 5.463 6.992 1.00 0.00 C ATOM 808 OE1 GLU A 49 3.155 5.552 6.432 1.00 0.00 O ATOM 809 OE2 GLU A 49 1.186 6.385 6.965 1.00 0.00 O ATOM 0 H GLU A 49 -1.020 1.795 6.884 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.345 4.509 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.762 2.271 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.877 2.642 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.977 4.476 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.588 3.847 8.292 1.00 0.00 H new ATOM 816 N ALA A 50 0.273 2.216 3.993 1.00 0.00 N ATOM 817 CA ALA A 50 0.518 2.039 2.567 1.00 0.00 C ATOM 818 C ALA A 50 -0.688 2.502 1.744 1.00 0.00 C ATOM 819 O ALA A 50 -0.553 2.716 0.546 1.00 0.00 O ATOM 820 CB ALA A 50 0.801 0.559 2.272 1.00 0.00 C ATOM 0 H ALA A 50 0.100 1.346 4.497 1.00 0.00 H new ATOM 0 HA ALA A 50 1.381 2.644 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.984 0.429 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.679 0.238 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.059 -0.042 2.569 1.00 0.00 H new ATOM 826 N TYR A 51 -1.855 2.669 2.357 1.00 0.00 N ATOM 827 CA TYR A 51 -3.116 3.003 1.712 1.00 0.00 C ATOM 828 C TYR A 51 -3.111 4.511 1.428 1.00 0.00 C ATOM 829 O TYR A 51 -3.507 4.943 0.341 1.00 0.00 O ATOM 830 CB TYR A 51 -4.236 2.596 2.679 1.00 0.00 C ATOM 831 CG TYR A 51 -5.526 2.021 2.150 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.510 0.687 1.696 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.750 2.673 2.375 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.708 -0.010 1.473 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.955 1.986 2.149 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.937 0.639 1.713 1.00 0.00 C ATOM 837 OH TYR A 51 -9.116 -0.013 1.516 1.00 0.00 O ATOM 0 H TYR A 51 -1.950 2.570 3.368 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.265 2.483 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.816 1.865 3.370 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.492 3.478 3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.565 0.195 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.765 3.696 2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.689 -1.031 1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.898 2.487 2.308 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.861 0.586 1.732 1.00 0.00 H new ATOM 847 N ASP A 52 -2.607 5.304 2.382 1.00 0.00 N ATOM 848 CA ASP A 52 -2.305 6.726 2.197 1.00 0.00 C ATOM 849 C ASP A 52 -1.329 6.895 1.035 1.00 0.00 C ATOM 850 O ASP A 52 -1.614 7.622 0.081 1.00 0.00 O ATOM 851 CB ASP A 52 -1.709 7.335 3.475 1.00 0.00 C ATOM 852 CG ASP A 52 -1.418 8.828 3.300 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.382 9.608 3.132 1.00 0.00 O ATOM 854 OD2 ASP A 52 -0.239 9.243 3.364 1.00 0.00 O ATOM 0 H ASP A 52 -2.394 4.967 3.321 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.234 7.250 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.401 7.193 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.789 6.811 3.734 1.00 0.00 H new ATOM 859 N VAL A 53 -0.234 6.128 1.063 1.00 0.00 N ATOM 860 CA VAL A 53 0.845 6.234 0.087 1.00 0.00 C ATOM 861 C VAL A 53 0.277 5.869 -1.276 1.00 0.00 C ATOM 862 O VAL A 53 0.293 6.693 -2.187 1.00 0.00 O ATOM 863 CB VAL A 53 1.997 5.273 0.457 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.114 5.263 -0.598 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.623 5.560 1.815 1.00 0.00 C ATOM 0 H VAL A 53 -0.075 5.412 1.771 1.00 0.00 H new ATOM 0 HA VAL A 53 1.244 7.248 0.074 1.00 0.00 H new ATOM 0 HB VAL A 53 1.519 4.294 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.899 4.572 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.706 4.945 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.531 6.265 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.424 4.845 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.030 6.571 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.864 5.470 2.592 1.00 0.00 H new ATOM 875 N LEU A 54 -0.231 4.649 -1.446 1.00 0.00 N ATOM 876 CA LEU A 54 -0.717 4.113 -2.696 1.00 0.00 C ATOM 877 C LEU A 54 -2.115 4.633 -3.011 1.00 0.00 C ATOM 878 O LEU A 54 -3.004 3.901 -3.442 1.00 0.00 O ATOM 879 CB LEU A 54 -0.584 2.589 -2.702 1.00 0.00 C ATOM 880 CG LEU A 54 0.853 2.102 -2.968 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.705 1.952 -1.711 1.00 0.00 C ATOM 882 CD2 LEU A 54 0.834 0.751 -3.664 1.00 0.00 C ATOM 0 H LEU A 54 -0.314 3.986 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.097 4.470 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.920 2.198 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.246 2.177 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 54 1.300 2.877 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.701 1.605 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.782 2.915 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.241 1.228 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.857 0.421 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.324 0.024 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.308 0.839 -4.614 1.00 0.00 H new ATOM 894 N SER A 55 -2.299 5.931 -2.815 1.00 0.00 N ATOM 895 CA SER A 55 -3.340 6.700 -3.437 1.00 0.00 C ATOM 896 C SER A 55 -2.815 8.115 -3.688 1.00 0.00 C ATOM 897 O SER A 55 -2.952 8.611 -4.806 1.00 0.00 O ATOM 898 CB SER A 55 -4.625 6.600 -2.619 1.00 0.00 C ATOM 899 OG SER A 55 -4.507 7.132 -1.308 1.00 0.00 O ATOM 0 H SER A 55 -1.704 6.484 -2.198 1.00 0.00 H new ATOM 0 HA SER A 55 -3.615 6.306 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.422 7.125 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.923 5.554 -2.552 1.00 0.00 H new ATOM 0 HG SER A 55 -4.174 6.438 -0.702 1.00 0.00 H new ATOM 905 N ASP A 56 -2.117 8.747 -2.735 1.00 0.00 N ATOM 906 CA ASP A 56 -1.684 10.133 -2.924 1.00 0.00 C ATOM 907 C ASP A 56 -0.367 10.136 -3.722 1.00 0.00 C ATOM 908 O ASP A 56 0.592 9.455 -3.343 1.00 0.00 O ATOM 909 CB ASP A 56 -1.498 10.839 -1.582 1.00 0.00 C ATOM 910 CG ASP A 56 -0.970 12.258 -1.800 1.00 0.00 C ATOM 911 OD1 ASP A 56 0.229 12.465 -2.071 1.00 0.00 O ATOM 912 OD2 ASP A 56 -1.780 13.210 -1.747 1.00 0.00 O ATOM 0 H ASP A 56 -1.846 8.330 -1.845 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.451 10.676 -3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.447 10.875 -1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.802 10.276 -0.960 1.00 0.00 H new ATOM 917 N PRO A 57 -0.285 10.847 -4.861 1.00 0.00 N ATOM 918 CA PRO A 57 0.890 10.777 -5.717 1.00 0.00 C ATOM 919 C PRO A 57 2.099 11.527 -5.137 1.00 0.00 C ATOM 920 O PRO A 57 3.243 11.218 -5.472 1.00 0.00 O ATOM 921 CB PRO A 57 0.441 11.375 -7.053 1.00 0.00 C ATOM 922 CG PRO A 57 -0.661 12.359 -6.662 1.00 0.00 C ATOM 923 CD PRO A 57 -1.315 11.685 -5.457 1.00 0.00 C ATOM 0 HA PRO A 57 1.238 9.749 -5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.263 11.877 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.069 10.606 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.255 13.338 -6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.372 12.511 -7.474 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.677 12.426 -4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.175 11.089 -5.762 1.00 0.00 H new ATOM 931 N ARG A 58 1.894 12.517 -4.266 1.00 0.00 N ATOM 932 CA ARG A 58 2.976 13.342 -3.724 1.00 0.00 C ATOM 933 C ARG A 58 3.636 12.660 -2.535 1.00 0.00 C ATOM 934 O ARG A 58 4.802 12.936 -2.244 1.00 0.00 O ATOM 935 CB ARG A 58 2.455 14.718 -3.308 1.00 0.00 C ATOM 936 CG ARG A 58 1.628 15.389 -4.413 1.00 0.00 C ATOM 937 CD ARG A 58 0.128 15.349 -4.099 1.00 0.00 C ATOM 938 NE ARG A 58 -0.262 16.518 -3.294 1.00 0.00 N ATOM 939 CZ ARG A 58 -0.397 16.593 -1.966 1.00 0.00 C ATOM 940 NH1 ARG A 58 -0.293 15.517 -1.195 1.00 0.00 N ATOM 941 NH2 ARG A 58 -0.633 17.778 -1.420 1.00 0.00 N ATOM 0 H ARG A 58 0.970 12.770 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 58 3.719 13.471 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.844 14.616 -2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.297 15.359 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.948 16.424 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.815 14.888 -5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.443 15.332 -5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.112 14.433 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.452 17.375 -3.813 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.106 14.606 -1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.400 15.602 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.708 18.606 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.740 17.862 -0.409 1.00 0.00 H new ATOM 955 N LYS A 59 2.936 11.728 -1.893 1.00 0.00 N ATOM 956 CA LYS A 59 3.478 10.861 -0.861 1.00 0.00 C ATOM 957 C LYS A 59 4.373 9.843 -1.558 1.00 0.00 C ATOM 958 O LYS A 59 5.502 9.612 -1.129 1.00 0.00 O ATOM 959 CB LYS A 59 2.293 10.191 -0.143 1.00 0.00 C ATOM 960 CG LYS A 59 2.555 9.748 1.300 1.00 0.00 C ATOM 961 CD LYS A 59 3.680 8.736 1.534 1.00 0.00 C ATOM 962 CE LYS A 59 5.014 9.345 1.977 1.00 0.00 C ATOM 963 NZ LYS A 59 4.973 9.764 3.393 1.00 0.00 N ATOM 0 H LYS A 59 1.949 11.554 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 59 4.067 11.398 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.452 10.885 -0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.987 9.319 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.774 10.637 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.632 9.323 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.355 8.021 2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.841 8.175 0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.813 8.617 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.250 10.204 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.891 10.172 3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.227 10.476 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.772 8.939 3.993 1.00 0.00 H new ATOM 977 N ARG A 60 3.898 9.262 -2.662 1.00 0.00 N ATOM 978 CA ARG A 60 4.676 8.321 -3.461 1.00 0.00 C ATOM 979 C ARG A 60 5.834 8.952 -4.197 1.00 0.00 C ATOM 980 O ARG A 60 6.753 8.214 -4.530 1.00 0.00 O ATOM 981 CB ARG A 60 3.766 7.627 -4.470 1.00 0.00 C ATOM 982 CG ARG A 60 3.078 6.486 -3.744 1.00 0.00 C ATOM 983 CD ARG A 60 2.097 5.739 -4.628 1.00 0.00 C ATOM 984 NE ARG A 60 0.932 6.557 -5.007 1.00 0.00 N ATOM 985 CZ ARG A 60 0.147 6.390 -6.082 1.00 0.00 C ATOM 986 NH1 ARG A 60 0.385 5.439 -6.988 1.00 0.00 N ATOM 987 NH2 ARG A 60 -0.922 7.163 -6.230 1.00 0.00 N ATOM 0 H ARG A 60 2.960 9.433 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 60 5.102 7.608 -2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.032 8.326 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.344 7.252 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.830 5.790 -3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.551 6.879 -2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.610 5.405 -5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.754 4.845 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 60 0.697 7.332 -4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.183 4.814 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.231 5.338 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.138 7.874 -5.531 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.527 7.046 -7.043 1.00 0.00 H new ATOM 1001 N GLU A 61 5.833 10.266 -4.408 1.00 0.00 N ATOM 1002 CA GLU A 61 6.869 10.989 -5.138 1.00 0.00 C ATOM 1003 C GLU A 61 8.263 10.579 -4.684 1.00 0.00 C ATOM 1004 O GLU A 61 9.149 10.410 -5.509 1.00 0.00 O ATOM 1005 CB GLU A 61 6.649 12.485 -4.914 1.00 0.00 C ATOM 1006 CG GLU A 61 7.568 13.393 -5.734 1.00 0.00 C ATOM 1007 CD GLU A 61 7.265 14.849 -5.395 1.00 0.00 C ATOM 1008 OE1 GLU A 61 7.672 15.312 -4.305 1.00 0.00 O ATOM 1009 OE2 GLU A 61 6.581 15.535 -6.187 1.00 0.00 O ATOM 0 H GLU A 61 5.089 10.874 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 61 6.800 10.749 -6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.613 12.727 -5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.792 12.706 -3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.612 13.166 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.418 13.216 -6.799 1.00 0.00 H new ATOM 1016 N ILE A 62 8.456 10.350 -3.386 1.00 0.00 N ATOM 1017 CA ILE A 62 9.781 10.050 -2.861 1.00 0.00 C ATOM 1018 C ILE A 62 10.209 8.623 -3.240 1.00 0.00 C ATOM 1019 O ILE A 62 11.388 8.385 -3.504 1.00 0.00 O ATOM 1020 CB ILE A 62 9.793 10.291 -1.334 1.00 0.00 C ATOM 1021 CG1 ILE A 62 9.437 11.772 -1.054 1.00 0.00 C ATOM 1022 CG2 ILE A 62 11.157 9.894 -0.751 1.00 0.00 C ATOM 1023 CD1 ILE A 62 9.667 12.240 0.385 1.00 0.00 C ATOM 0 H ILE A 62 7.715 10.367 -2.685 1.00 0.00 H new ATOM 0 HA ILE A 62 10.516 10.718 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 62 9.045 9.668 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.025 12.402 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.389 11.930 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 62 11.157 10.067 0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 62 11.344 8.839 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.940 10.494 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.387 13.290 0.475 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.058 11.643 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.720 12.122 0.642 1.00 0.00 H new ATOM 1035 N PHE A 63 9.279 7.672 -3.288 1.00 0.00 N ATOM 1036 CA PHE A 63 9.571 6.323 -3.754 1.00 0.00 C ATOM 1037 C PHE A 63 9.739 6.302 -5.273 1.00 0.00 C ATOM 1038 O PHE A 63 10.568 5.564 -5.790 1.00 0.00 O ATOM 1039 CB PHE A 63 8.407 5.415 -3.339 1.00 0.00 C ATOM 1040 CG PHE A 63 8.645 3.927 -3.478 1.00 0.00 C ATOM 1041 CD1 PHE A 63 9.623 3.302 -2.685 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.814 3.147 -4.304 1.00 0.00 C ATOM 1043 CE1 PHE A 63 9.706 1.903 -2.638 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.906 1.745 -4.264 1.00 0.00 C ATOM 1045 CZ PHE A 63 8.817 1.125 -3.395 1.00 0.00 C ATOM 0 H PHE A 63 8.309 7.815 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 63 10.503 5.972 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.159 5.628 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.534 5.681 -3.936 1.00 0.00 H new ATOM 0 HD1 PHE A 63 10.313 3.902 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.108 3.625 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.452 1.425 -2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.275 1.144 -4.903 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.834 0.049 -3.309 1.00 0.00 H new ATOM 1055 N ASP A 64 8.952 7.107 -5.986 1.00 0.00 N ATOM 1056 CA ASP A 64 8.943 7.158 -7.444 1.00 0.00 C ATOM 1057 C ASP A 64 10.243 7.786 -7.955 1.00 0.00 C ATOM 1058 O ASP A 64 10.869 7.278 -8.884 1.00 0.00 O ATOM 1059 CB ASP A 64 7.709 7.948 -7.915 1.00 0.00 C ATOM 1060 CG ASP A 64 7.149 7.446 -9.244 1.00 0.00 C ATOM 1061 OD1 ASP A 64 7.896 7.065 -10.169 1.00 0.00 O ATOM 1062 OD2 ASP A 64 5.905 7.394 -9.383 1.00 0.00 O ATOM 0 H ASP A 64 8.291 7.754 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 64 8.883 6.149 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.932 7.885 -7.153 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.974 9.001 -8.014 1.00 0.00 H new ATOM 1067 N ARG A 65 10.674 8.887 -7.328 1.00 0.00 N ATOM 1068 CA ARG A 65 11.901 9.596 -7.649 1.00 0.00 C ATOM 1069 C ARG A 65 13.132 8.785 -7.260 1.00 0.00 C ATOM 1070 O ARG A 65 14.097 8.730 -8.020 1.00 0.00 O ATOM 1071 CB ARG A 65 11.869 10.985 -6.985 1.00 0.00 C ATOM 1072 CG ARG A 65 12.349 11.086 -5.537 1.00 0.00 C ATOM 1073 CD ARG A 65 12.044 12.447 -4.917 1.00 0.00 C ATOM 1074 NE ARG A 65 12.545 12.505 -3.534 1.00 0.00 N ATOM 1075 CZ ARG A 65 12.302 13.478 -2.650 1.00 0.00 C ATOM 1076 NH1 ARG A 65 11.565 14.528 -3.002 1.00 0.00 N ATOM 1077 NH2 ARG A 65 12.780 13.385 -1.414 1.00 0.00 N ATOM 0 H ARG A 65 10.157 9.316 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 65 11.970 9.736 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.476 11.660 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.844 11.354 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.873 10.305 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.423 10.905 -5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.505 13.236 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.969 12.626 -4.929 1.00 0.00 H new ATOM 0 HE ARG A 65 13.132 11.731 -3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.185 14.591 -3.947 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.380 15.270 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.332 12.572 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.595 14.127 -0.739 1.00 0.00 H new ATOM 1091 N TYR A 66 13.118 8.188 -6.070 1.00 0.00 N ATOM 1092 CA TYR A 66 14.219 7.406 -5.531 1.00 0.00 C ATOM 1093 C TYR A 66 13.781 5.948 -5.487 1.00 0.00 C ATOM 1094 O TYR A 66 13.909 5.259 -6.501 1.00 0.00 O ATOM 1095 CB TYR A 66 14.697 7.971 -4.176 1.00 0.00 C ATOM 1096 CG TYR A 66 15.198 9.409 -4.170 1.00 0.00 C ATOM 1097 CD1 TYR A 66 15.899 9.947 -5.271 1.00 0.00 C ATOM 1098 CD2 TYR A 66 15.001 10.207 -3.024 1.00 0.00 C ATOM 1099 CE1 TYR A 66 16.376 11.269 -5.237 1.00 0.00 C ATOM 1100 CE2 TYR A 66 15.511 11.515 -2.966 1.00 0.00 C ATOM 1101 CZ TYR A 66 16.189 12.055 -4.080 1.00 0.00 C ATOM 1102 OH TYR A 66 16.727 13.302 -3.999 1.00 0.00 O ATOM 0 H TYR A 66 12.317 8.239 -5.440 1.00 0.00 H new ATOM 0 HA TYR A 66 15.098 7.470 -6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 66 13.873 7.895 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 66 15.497 7.331 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 66 16.070 9.338 -6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 66 14.453 9.809 -2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.885 11.682 -6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 66 15.384 12.106 -2.071 1.00 0.00 H new ATOM 0 HH TYR A 66 16.499 13.701 -3.134 1.00 0.00 H new ATOM 1112 N GLY A 67 13.268 5.490 -4.343 1.00 0.00 N ATOM 1113 CA GLY A 67 12.994 4.098 -4.041 1.00 0.00 C ATOM 1114 C GLY A 67 13.552 3.818 -2.654 1.00 0.00 C ATOM 1115 O GLY A 67 13.229 4.538 -1.706 1.00 0.00 O ATOM 0 H GLY A 67 13.024 6.113 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.922 3.902 -4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.458 3.446 -4.781 1.00 0.00 H new ATOM 1119 N GLU A 68 14.416 2.811 -2.524 1.00 0.00 N ATOM 1120 CA GLU A 68 15.151 2.506 -1.321 1.00 0.00 C ATOM 1121 C GLU A 68 16.124 3.649 -1.039 1.00 0.00 C ATOM 1122 O GLU A 68 16.530 4.401 -1.931 1.00 0.00 O ATOM 1123 CB GLU A 68 15.911 1.182 -1.499 1.00 0.00 C ATOM 1124 CG GLU A 68 15.014 -0.063 -1.423 1.00 0.00 C ATOM 1125 CD GLU A 68 14.044 -0.181 -2.598 1.00 0.00 C ATOM 1126 OE1 GLU A 68 14.481 -0.163 -3.767 1.00 0.00 O ATOM 1127 OE2 GLU A 68 12.826 -0.317 -2.368 1.00 0.00 O ATOM 0 H GLU A 68 14.623 2.168 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 68 14.467 2.398 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.420 1.193 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.682 1.110 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.642 -0.953 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.446 -0.037 -0.493 1.00 0.00 H new ATOM 1134 N GLU A 69 16.514 3.731 0.224 1.00 0.00 N ATOM 1135 CA GLU A 69 17.173 4.813 0.948 1.00 0.00 C ATOM 1136 C GLU A 69 16.294 6.074 0.971 1.00 0.00 C ATOM 1137 O GLU A 69 15.970 6.582 2.046 1.00 0.00 O ATOM 1138 CB GLU A 69 18.579 4.998 0.369 1.00 0.00 C ATOM 1139 CG GLU A 69 19.577 5.701 1.291 1.00 0.00 C ATOM 1140 CD GLU A 69 19.273 7.173 1.577 1.00 0.00 C ATOM 1141 OE1 GLU A 69 19.258 8.008 0.643 1.00 0.00 O ATOM 1142 OE2 GLU A 69 19.080 7.514 2.767 1.00 0.00 O ATOM 0 H GLU A 69 16.356 2.939 0.847 1.00 0.00 H new ATOM 0 HA GLU A 69 17.302 4.568 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.979 4.018 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.501 5.568 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.613 5.163 2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.570 5.631 0.846 1.00 0.00 H new ATOM 1149 N GLY A 70 15.841 6.516 -0.205 1.00 0.00 N ATOM 1150 CA GLY A 70 14.868 7.570 -0.439 1.00 0.00 C ATOM 1151 C GLY A 70 13.670 7.508 0.498 1.00 0.00 C ATOM 1152 O GLY A 70 13.328 8.511 1.131 1.00 0.00 O ATOM 0 H GLY A 70 16.174 6.112 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.358 8.537 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.517 7.508 -1.469 1.00 0.00 H new ATOM 1156 N LEU A 71 12.992 6.360 0.529 1.00 0.00 N ATOM 1157 CA LEU A 71 11.757 6.161 1.274 1.00 0.00 C ATOM 1158 C LEU A 71 12.018 6.125 2.782 1.00 0.00 C ATOM 1159 O LEU A 71 13.082 5.703 3.239 1.00 0.00 O ATOM 1160 CB LEU A 71 11.087 4.868 0.781 1.00 0.00 C ATOM 1161 CG LEU A 71 9.668 4.619 1.324 1.00 0.00 C ATOM 1162 CD1 LEU A 71 8.734 5.761 0.885 1.00 0.00 C ATOM 1163 CD2 LEU A 71 9.135 3.268 0.839 1.00 0.00 C ATOM 0 H LEU A 71 13.296 5.527 0.025 1.00 0.00 H new ATOM 0 HA LEU A 71 11.085 7.001 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.043 4.892 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.718 4.023 1.056 1.00 0.00 H new ATOM 0 HG LEU A 71 9.706 4.595 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.731 5.580 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.108 6.707 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.700 5.805 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.131 3.110 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.103 3.260 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.791 2.471 1.189 1.00 0.00 H new