USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 19 SER OG : rot 180:sc= -0.253 USER MOD Set 1.2: A 31 ASN :FLIP amide:sc= -0.219 F(o=-1.3,f=-0.47) USER MOD Set 2.1: A 23 CYS SG : rot 175:sc= -0.124 USER MOD Set 2.2: A 26 CYS SG : rot -66:sc= 0.411 USER MOD Set 2.3: A 28 SER OG : rot 81:sc= 1.09 USER MOD Set 2.4: A 54 ASN : amide:sc= -3.7 K(o=-8.7,f=-14!) USER MOD Set 2.5: A 55 HIS : no HE2:sc= -5.42! C(o=-8.7!,f=-12!) USER MOD Set 2.6: A 58 CYS SG : rot -70:sc= -0.948 USER MOD Set 3.1: A 25 THR OG1 : rot 160:sc= -0.702 USER MOD Set 3.2: A 62 LYS NZ :NH3+ -134:sc= 0.0241 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 66:sc= -0.19 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0943 USER MOD Single : A 21 SER OG : rot 120:sc= -0.728 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 0.707 (180deg=0.0645) USER MOD Single : A 34 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 154:sc= -0.151 (180deg=-0.74) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.039 K(o=0.039,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00613 USER MOD Single : A 77 SER OG : rot -33:sc= 0.0293 USER MOD Single : A 83 GLN : amide:sc= 0.0544 K(o=0.054,f=-1.3) USER MOD Single : A 84 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.16) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 173:sc= -0.0664 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.654 11.709 3.948 1.00 0.00 N ATOM 84 CA LYS A 9 9.762 10.666 2.935 1.00 0.00 C ATOM 85 C LYS A 9 8.715 10.858 1.842 1.00 0.00 C ATOM 86 O LYS A 9 7.581 11.262 2.100 1.00 0.00 O ATOM 87 CB LYS A 9 9.599 9.286 3.575 1.00 0.00 C ATOM 88 CG LYS A 9 10.902 8.692 4.081 1.00 0.00 C ATOM 89 CD LYS A 9 10.678 7.813 5.301 1.00 0.00 C ATOM 90 CE LYS A 9 11.948 7.075 5.696 1.00 0.00 C ATOM 91 NZ LYS A 9 12.894 7.955 6.435 1.00 0.00 N ATOM 0 HA LYS A 9 10.751 10.735 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.897 9.361 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.159 8.606 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.367 8.105 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.595 9.495 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.338 8.426 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.887 7.093 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.691 6.216 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.436 6.688 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.746 7.415 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.160 8.761 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.438 8.305 7.302 1.00 0.00 H new ATOM 105 N PRO A 10 9.102 10.563 0.593 1.00 0.00 N ATOM 106 CA PRO A 10 8.211 10.693 -0.564 1.00 0.00 C ATOM 107 C PRO A 10 7.096 9.652 -0.558 1.00 0.00 C ATOM 108 O PRO A 10 5.951 9.954 -0.893 1.00 0.00 O ATOM 109 CB PRO A 10 9.143 10.471 -1.757 1.00 0.00 C ATOM 110 CG PRO A 10 10.260 9.646 -1.217 1.00 0.00 C ATOM 111 CD PRO A 10 10.439 10.077 0.212 1.00 0.00 C ATOM 0 HA PRO A 10 7.700 11.656 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.630 9.958 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.507 11.418 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.025 8.583 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.174 9.804 -1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.761 9.249 0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.192 10.860 0.304 1.00 0.00 H new ATOM 119 N TRP A 11 7.439 8.428 -0.173 1.00 0.00 N ATOM 120 CA TRP A 11 6.466 7.343 -0.123 1.00 0.00 C ATOM 121 C TRP A 11 6.234 6.886 1.313 1.00 0.00 C ATOM 122 O TRP A 11 7.095 7.059 2.176 1.00 0.00 O ATOM 123 CB TRP A 11 6.942 6.165 -0.975 1.00 0.00 C ATOM 124 CG TRP A 11 6.987 6.472 -2.441 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.063 6.925 -3.151 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.910 6.351 -3.376 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.719 7.093 -4.470 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.404 6.746 -4.635 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.577 5.945 -3.273 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.610 6.748 -5.778 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.790 5.947 -4.409 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.308 6.346 -5.649 1.00 0.00 C ATOM 0 H TRP A 11 8.383 8.162 0.109 1.00 0.00 H new ATOM 0 HA TRP A 11 5.523 7.715 -0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.936 5.864 -0.643 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.280 5.315 -0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.040 7.122 -2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.342 7.423 -5.207 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.169 5.635 -2.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.007 7.056 -6.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.758 5.636 -4.340 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.668 6.336 -6.519 1.00 0.00 H new ATOM 143 N ARG A 12 5.066 6.303 1.562 1.00 0.00 N ATOM 144 CA ARG A 12 4.721 5.823 2.895 1.00 0.00 C ATOM 145 C ARG A 12 4.238 4.376 2.843 1.00 0.00 C ATOM 146 O ARG A 12 3.728 3.918 1.822 1.00 0.00 O ATOM 147 CB ARG A 12 3.640 6.710 3.516 1.00 0.00 C ATOM 148 CG ARG A 12 2.302 6.632 2.799 1.00 0.00 C ATOM 149 CD ARG A 12 1.141 6.787 3.769 1.00 0.00 C ATOM 150 NE ARG A 12 0.721 8.180 3.902 1.00 0.00 N ATOM 151 CZ ARG A 12 1.246 9.024 4.783 1.00 0.00 C ATOM 152 NH1 ARG A 12 2.205 8.620 5.604 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.811 10.277 4.843 1.00 0.00 N ATOM 0 H ARG A 12 4.343 6.152 0.859 1.00 0.00 H new ATOM 0 HA ARG A 12 5.618 5.868 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.501 6.423 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.984 7.744 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.249 7.411 2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.220 5.676 2.282 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.299 6.186 3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.431 6.401 4.746 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.015 8.523 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.542 7.658 5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.606 9.271 6.279 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.074 10.592 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.214 10.925 5.520 1.00 0.00 H new ATOM 167 N ALA A 13 4.404 3.663 3.952 1.00 0.00 N ATOM 168 CA ALA A 13 3.985 2.270 4.034 1.00 0.00 C ATOM 169 C ALA A 13 3.198 2.007 5.313 1.00 0.00 C ATOM 170 O ALA A 13 3.679 2.273 6.414 1.00 0.00 O ATOM 171 CB ALA A 13 5.194 1.349 3.958 1.00 0.00 C ATOM 0 H ALA A 13 4.826 4.028 4.806 1.00 0.00 H new ATOM 0 HA ALA A 13 3.331 2.064 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.866 0.312 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.714 1.509 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.869 1.566 4.785 1.00 0.00 H new ATOM 177 N GLU A 14 1.985 1.485 5.160 1.00 0.00 N ATOM 178 CA GLU A 14 1.131 1.189 6.305 1.00 0.00 C ATOM 179 C GLU A 14 -0.137 0.464 5.864 1.00 0.00 C ATOM 180 O GLU A 14 -0.645 0.690 4.765 1.00 0.00 O ATOM 181 CB GLU A 14 0.764 2.478 7.043 1.00 0.00 C ATOM 182 CG GLU A 14 0.079 3.510 6.162 1.00 0.00 C ATOM 183 CD GLU A 14 0.007 4.877 6.813 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.977 5.259 7.502 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.019 5.566 6.634 1.00 0.00 O ATOM 0 H GLU A 14 1.572 1.258 4.255 1.00 0.00 H new ATOM 0 HA GLU A 14 1.685 0.538 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.109 2.234 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.669 2.916 7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.616 3.590 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.930 3.170 5.927 1.00 0.00 H new ATOM 192 N TYR A 15 -0.644 -0.408 6.729 1.00 0.00 N ATOM 193 CA TYR A 15 -1.850 -1.169 6.429 1.00 0.00 C ATOM 194 C TYR A 15 -3.099 -0.319 6.645 1.00 0.00 C ATOM 195 O TYR A 15 -3.259 0.314 7.688 1.00 0.00 O ATOM 196 CB TYR A 15 -1.917 -2.424 7.301 1.00 0.00 C ATOM 197 CG TYR A 15 -0.968 -3.516 6.865 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.313 -4.398 5.848 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.274 -3.667 7.469 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.449 -5.399 5.446 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.145 -4.664 7.073 1.00 0.00 C ATOM 202 CZ TYR A 15 0.779 -5.527 6.061 1.00 0.00 C ATOM 203 OH TYR A 15 1.643 -6.522 5.664 1.00 0.00 O ATOM 0 H TYR A 15 -0.238 -0.605 7.644 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.810 -1.465 5.381 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.694 -2.152 8.333 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.935 -2.812 7.286 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.273 -4.300 5.363 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.564 -2.993 8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.734 -6.077 4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.107 -4.767 7.553 1.00 0.00 H new ATOM 0 HH TYR A 15 1.935 -6.354 4.744 1.00 0.00 H new ATOM 213 N ALA A 16 -3.980 -0.310 5.650 1.00 0.00 N ATOM 214 CA ALA A 16 -5.215 0.459 5.731 1.00 0.00 C ATOM 215 C ALA A 16 -6.024 0.072 6.964 1.00 0.00 C ATOM 216 O ALA A 16 -5.984 -1.075 7.411 1.00 0.00 O ATOM 217 CB ALA A 16 -6.044 0.261 4.471 1.00 0.00 C ATOM 0 H ALA A 16 -3.861 -0.827 4.779 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.951 1.513 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.964 0.841 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.474 0.595 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.290 -0.795 4.359 1.00 0.00 H new ATOM 223 N LYS A 17 -6.757 1.036 7.512 1.00 0.00 N ATOM 224 CA LYS A 17 -7.576 0.796 8.694 1.00 0.00 C ATOM 225 C LYS A 17 -9.034 0.571 8.309 1.00 0.00 C ATOM 226 O LYS A 17 -9.761 -0.153 8.989 1.00 0.00 O ATOM 227 CB LYS A 17 -7.469 1.977 9.662 1.00 0.00 C ATOM 228 CG LYS A 17 -6.053 2.247 10.139 1.00 0.00 C ATOM 229 CD LYS A 17 -5.936 3.611 10.797 1.00 0.00 C ATOM 230 CE LYS A 17 -5.846 4.723 9.762 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.658 6.057 10.397 1.00 0.00 N ATOM 0 H LYS A 17 -6.800 1.991 7.156 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.206 -0.104 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.856 2.872 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.104 1.786 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.753 1.474 10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.367 2.190 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.799 3.781 11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.053 3.634 11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.016 4.523 9.085 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.754 4.732 9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.601 6.788 9.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.463 6.260 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.778 6.056 10.952 1.00 0.00 H new ATOM 245 N SER A 18 -9.456 1.195 7.214 1.00 0.00 N ATOM 246 CA SER A 18 -10.829 1.064 6.740 1.00 0.00 C ATOM 247 C SER A 18 -10.869 0.943 5.220 1.00 0.00 C ATOM 248 O SER A 18 -9.904 1.279 4.533 1.00 0.00 O ATOM 249 CB SER A 18 -11.662 2.266 7.190 1.00 0.00 C ATOM 250 OG SER A 18 -12.999 2.159 6.731 1.00 0.00 O ATOM 0 H SER A 18 -8.867 1.796 6.638 1.00 0.00 H new ATOM 0 HA SER A 18 -11.252 0.156 7.170 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.652 2.333 8.278 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.216 3.185 6.810 1.00 0.00 H new ATOM 0 HG SER A 18 -13.512 2.938 7.033 1.00 0.00 H new ATOM 256 N SER A 19 -11.994 0.461 4.700 1.00 0.00 N ATOM 257 CA SER A 19 -12.160 0.291 3.262 1.00 0.00 C ATOM 258 C SER A 19 -12.810 1.524 2.641 1.00 0.00 C ATOM 259 O SER A 19 -13.668 1.412 1.765 1.00 0.00 O ATOM 260 CB SER A 19 -13.006 -0.948 2.967 1.00 0.00 C ATOM 261 OG SER A 19 -12.643 -2.026 3.813 1.00 0.00 O ATOM 0 H SER A 19 -12.804 0.182 5.254 1.00 0.00 H new ATOM 0 HA SER A 19 -11.172 0.160 2.820 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.061 -0.713 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.878 -1.240 1.925 1.00 0.00 H new ATOM 0 HG SER A 19 -13.199 -2.806 3.606 1.00 0.00 H new ATOM 267 N ARG A 20 -12.396 2.700 3.102 1.00 0.00 N ATOM 268 CA ARG A 20 -12.938 3.954 2.594 1.00 0.00 C ATOM 269 C ARG A 20 -12.093 4.483 1.439 1.00 0.00 C ATOM 270 O ARG A 20 -12.624 4.975 0.443 1.00 0.00 O ATOM 271 CB ARG A 20 -13.003 4.996 3.712 1.00 0.00 C ATOM 272 CG ARG A 20 -14.203 4.831 4.630 1.00 0.00 C ATOM 273 CD ARG A 20 -15.428 5.543 4.078 1.00 0.00 C ATOM 274 NE ARG A 20 -16.542 5.526 5.022 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.361 4.491 5.174 1.00 0.00 C ATOM 276 NH1 ARG A 20 -17.190 3.394 4.450 1.00 0.00 N ATOM 277 NH2 ARG A 20 -18.352 4.552 6.054 1.00 0.00 N ATOM 0 H ARG A 20 -11.687 2.810 3.827 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.946 3.763 2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.091 4.936 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.030 5.991 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.423 3.771 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.965 5.227 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.171 6.575 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.735 5.067 3.146 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.700 6.354 5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.428 3.343 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.820 2.601 4.569 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.485 5.394 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.980 3.757 6.170 1.00 0.00 H new ATOM 291 N SER A 21 -10.776 4.379 1.579 1.00 0.00 N ATOM 292 CA SER A 21 -9.857 4.851 0.550 1.00 0.00 C ATOM 293 C SER A 21 -9.967 3.996 -0.709 1.00 0.00 C ATOM 294 O SER A 21 -10.354 2.829 -0.649 1.00 0.00 O ATOM 295 CB SER A 21 -8.419 4.829 1.071 1.00 0.00 C ATOM 296 OG SER A 21 -7.878 3.520 1.022 1.00 0.00 O ATOM 0 H SER A 21 -10.321 3.972 2.396 1.00 0.00 H new ATOM 0 HA SER A 21 -10.128 5.876 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.803 5.503 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.395 5.198 2.097 1.00 0.00 H new ATOM 0 HG SER A 21 -7.087 3.515 0.444 1.00 0.00 H new ATOM 302 N SER A 22 -9.623 4.586 -1.849 1.00 0.00 N ATOM 303 CA SER A 22 -9.686 3.882 -3.124 1.00 0.00 C ATOM 304 C SER A 22 -8.442 4.163 -3.963 1.00 0.00 C ATOM 305 O SER A 22 -7.959 5.294 -4.018 1.00 0.00 O ATOM 306 CB SER A 22 -10.940 4.294 -3.898 1.00 0.00 C ATOM 307 OG SER A 22 -12.075 4.326 -3.049 1.00 0.00 O ATOM 0 H SER A 22 -9.298 5.550 -1.916 1.00 0.00 H new ATOM 0 HA SER A 22 -9.730 2.813 -2.917 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.789 5.276 -4.346 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.113 3.594 -4.716 1.00 0.00 H new ATOM 0 HG SER A 22 -12.863 4.593 -3.566 1.00 0.00 H new ATOM 313 N CYS A 23 -7.929 3.125 -4.614 1.00 0.00 N ATOM 314 CA CYS A 23 -6.741 3.258 -5.450 1.00 0.00 C ATOM 315 C CYS A 23 -7.004 4.198 -6.622 1.00 0.00 C ATOM 316 O CYS A 23 -8.152 4.431 -7.001 1.00 0.00 O ATOM 317 CB CYS A 23 -6.302 1.887 -5.969 1.00 0.00 C ATOM 318 SG CYS A 23 -4.851 1.939 -7.069 1.00 0.00 S ATOM 0 H CYS A 23 -8.317 2.182 -4.579 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.943 3.681 -4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.077 1.243 -5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.134 1.429 -6.504 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.496 0.727 -7.377 1.00 0.00 H new ATOM 323 N LYS A 24 -5.931 4.736 -7.193 1.00 0.00 N ATOM 324 CA LYS A 24 -6.043 5.651 -8.323 1.00 0.00 C ATOM 325 C LYS A 24 -5.569 4.984 -9.611 1.00 0.00 C ATOM 326 O LYS A 24 -6.058 5.293 -10.699 1.00 0.00 O ATOM 327 CB LYS A 24 -5.227 6.919 -8.063 1.00 0.00 C ATOM 328 CG LYS A 24 -5.678 7.690 -6.835 1.00 0.00 C ATOM 329 CD LYS A 24 -6.871 8.581 -7.142 1.00 0.00 C ATOM 330 CE LYS A 24 -6.891 9.812 -6.250 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.798 10.867 -6.781 1.00 0.00 N ATOM 0 H LYS A 24 -4.974 4.554 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.093 5.920 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.178 6.648 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.294 7.569 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.940 6.991 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.854 8.299 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.838 8.888 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.793 8.016 -7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.211 9.529 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.881 10.212 -6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.784 11.690 -6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.478 11.156 -7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.767 10.493 -6.842 1.00 0.00 H new ATOM 345 N THR A 25 -4.616 4.067 -9.481 1.00 0.00 N ATOM 346 CA THR A 25 -4.076 3.357 -10.634 1.00 0.00 C ATOM 347 C THR A 25 -5.124 2.438 -11.253 1.00 0.00 C ATOM 348 O THR A 25 -5.337 2.451 -12.466 1.00 0.00 O ATOM 349 CB THR A 25 -2.840 2.522 -10.251 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.692 3.371 -10.135 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.574 1.441 -11.288 1.00 0.00 C ATOM 0 H THR A 25 -4.202 3.798 -8.588 1.00 0.00 H new ATOM 0 HA THR A 25 -3.783 4.113 -11.362 1.00 0.00 H new ATOM 0 HB THR A 25 -3.036 2.043 -9.292 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.007 2.923 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.696 0.864 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.438 0.779 -11.353 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.397 1.904 -12.259 1.00 0.00 H new ATOM 359 N CYS A 26 -5.776 1.641 -10.413 1.00 0.00 N ATOM 360 CA CYS A 26 -6.802 0.716 -10.877 1.00 0.00 C ATOM 361 C CYS A 26 -8.197 1.279 -10.625 1.00 0.00 C ATOM 362 O CYS A 26 -9.177 0.833 -11.223 1.00 0.00 O ATOM 363 CB CYS A 26 -6.652 -0.637 -10.178 1.00 0.00 C ATOM 364 SG CYS A 26 -7.122 -0.619 -8.418 1.00 0.00 S ATOM 0 H CYS A 26 -5.611 1.618 -9.407 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.674 0.579 -11.951 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.264 -1.373 -10.699 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.616 -0.965 -10.263 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.287 0.123 -7.753 1.00 0.00 H new ATOM 369 N LYS A 27 -8.280 2.263 -9.737 1.00 0.00 N ATOM 370 CA LYS A 27 -9.554 2.891 -9.405 1.00 0.00 C ATOM 371 C LYS A 27 -10.460 1.920 -8.655 1.00 0.00 C ATOM 372 O LYS A 27 -11.647 1.803 -8.959 1.00 0.00 O ATOM 373 CB LYS A 27 -10.252 3.377 -10.677 1.00 0.00 C ATOM 374 CG LYS A 27 -9.363 4.219 -11.575 1.00 0.00 C ATOM 375 CD LYS A 27 -9.120 5.598 -10.986 1.00 0.00 C ATOM 376 CE LYS A 27 -10.347 6.487 -11.125 1.00 0.00 C ATOM 377 NZ LYS A 27 -10.388 7.544 -10.076 1.00 0.00 N ATOM 0 H LYS A 27 -7.479 2.644 -9.233 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.353 3.745 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.608 2.513 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.130 3.960 -10.399 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.409 3.712 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.826 4.318 -12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.855 5.504 -9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.272 6.065 -11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.348 6.953 -12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.247 5.876 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.239 8.128 -10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.413 7.100 -9.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.541 8.143 -10.154 1.00 0.00 H new ATOM 391 N SER A 28 -9.893 1.226 -7.674 1.00 0.00 N ATOM 392 CA SER A 28 -10.649 0.263 -6.882 1.00 0.00 C ATOM 393 C SER A 28 -10.612 0.629 -5.401 1.00 0.00 C ATOM 394 O SER A 28 -9.967 1.600 -5.006 1.00 0.00 O ATOM 395 CB SER A 28 -10.091 -1.147 -7.084 1.00 0.00 C ATOM 396 OG SER A 28 -9.871 -1.415 -8.458 1.00 0.00 O ATOM 0 H SER A 28 -8.912 1.313 -7.408 1.00 0.00 H new ATOM 0 HA SER A 28 -11.685 0.287 -7.219 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.155 -1.254 -6.535 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.787 -1.879 -6.674 1.00 0.00 H new ATOM 0 HG SER A 28 -9.021 -1.015 -8.737 1.00 0.00 H new ATOM 402 N VAL A 29 -11.309 -0.156 -4.586 1.00 0.00 N ATOM 403 CA VAL A 29 -11.356 0.083 -3.148 1.00 0.00 C ATOM 404 C VAL A 29 -10.223 -0.644 -2.433 1.00 0.00 C ATOM 405 O VAL A 29 -9.922 -1.798 -2.738 1.00 0.00 O ATOM 406 CB VAL A 29 -12.700 -0.369 -2.548 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.514 -0.836 -1.112 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.721 0.757 -2.622 1.00 0.00 C ATOM 0 H VAL A 29 -11.849 -0.963 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.244 1.157 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.075 -1.209 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.475 -1.152 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.817 -1.674 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.117 -0.017 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.665 0.421 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.355 1.618 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.875 1.040 -3.663 1.00 0.00 H new ATOM 418 N ILE A 30 -9.598 0.039 -1.480 1.00 0.00 N ATOM 419 CA ILE A 30 -8.498 -0.542 -0.720 1.00 0.00 C ATOM 420 C ILE A 30 -8.954 -0.959 0.674 1.00 0.00 C ATOM 421 O ILE A 30 -8.874 -0.180 1.623 1.00 0.00 O ATOM 422 CB ILE A 30 -7.321 0.442 -0.590 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.798 0.831 -1.974 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.210 -0.169 0.250 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.078 2.161 -1.997 1.00 0.00 C ATOM 0 H ILE A 30 -9.835 0.995 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.165 -1.422 -1.270 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.674 1.344 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.121 0.054 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.634 0.868 -2.672 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.385 0.539 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.591 -0.400 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.856 -1.084 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.735 2.372 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.758 2.949 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.221 2.123 -1.324 1.00 0.00 H new ATOM 437 N ASN A 31 -9.430 -2.195 0.790 1.00 0.00 N ATOM 438 CA ASN A 31 -9.898 -2.716 2.070 1.00 0.00 C ATOM 439 C ASN A 31 -8.788 -2.668 3.115 1.00 0.00 C ATOM 440 O ASN A 31 -7.606 -2.772 2.788 1.00 0.00 O ATOM 441 CB ASN A 31 -10.397 -4.153 1.906 1.00 0.00 C ATOM 442 CG ASN A 31 -11.232 -4.336 0.654 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.344 -3.615 0.574 1.00 0.00 O flip ATOM 444 ND2 ASN A 31 -10.881 -5.117 -0.232 1.00 0.00 N flip ATOM 0 H ASN A 31 -9.502 -2.854 0.014 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.721 -2.088 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.543 -4.829 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.989 -4.431 2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.018 -5.651 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.453 -5.229 -1.069 1.00 0.00 H new ATOM 451 N LYS A 32 -9.177 -2.510 4.376 1.00 0.00 N ATOM 452 CA LYS A 32 -8.216 -2.449 5.471 1.00 0.00 C ATOM 453 C LYS A 32 -7.450 -3.762 5.597 1.00 0.00 C ATOM 454 O LYS A 32 -7.843 -4.777 5.023 1.00 0.00 O ATOM 455 CB LYS A 32 -8.932 -2.136 6.787 1.00 0.00 C ATOM 456 CG LYS A 32 -9.573 -3.352 7.435 1.00 0.00 C ATOM 457 CD LYS A 32 -10.893 -2.999 8.099 1.00 0.00 C ATOM 458 CE LYS A 32 -10.703 -2.650 9.567 1.00 0.00 C ATOM 459 NZ LYS A 32 -11.716 -1.665 10.040 1.00 0.00 N ATOM 0 H LYS A 32 -10.151 -2.422 4.665 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.504 -1.653 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.218 -1.697 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.700 -1.385 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.738 -4.122 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.893 -3.772 8.176 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.349 -2.156 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.582 -3.839 8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.771 -3.557 10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.703 -2.243 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.854 -1.774 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.384 -0.701 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.618 -1.832 9.549 1.00 0.00 H new ATOM 473 N GLU A 33 -6.357 -3.734 6.352 1.00 0.00 N ATOM 474 CA GLU A 33 -5.537 -4.923 6.552 1.00 0.00 C ATOM 475 C GLU A 33 -4.786 -5.288 5.275 1.00 0.00 C ATOM 476 O GLU A 33 -4.422 -6.444 5.065 1.00 0.00 O ATOM 477 CB GLU A 33 -6.407 -6.100 6.999 1.00 0.00 C ATOM 478 CG GLU A 33 -7.499 -5.711 7.981 1.00 0.00 C ATOM 479 CD GLU A 33 -7.799 -6.807 8.985 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.432 -7.811 8.596 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.401 -6.660 10.159 1.00 0.00 O ATOM 0 H GLU A 33 -6.019 -2.902 6.835 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.807 -4.703 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.865 -6.556 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.771 -6.858 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.199 -4.808 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.408 -5.469 7.430 1.00 0.00 H new ATOM 488 N ASN A 34 -4.559 -4.293 4.424 1.00 0.00 N ATOM 489 CA ASN A 34 -3.853 -4.508 3.166 1.00 0.00 C ATOM 490 C ASN A 34 -2.675 -3.548 3.032 1.00 0.00 C ATOM 491 O ASN A 34 -2.760 -2.385 3.426 1.00 0.00 O ATOM 492 CB ASN A 34 -4.808 -4.328 1.984 1.00 0.00 C ATOM 493 CG ASN A 34 -5.507 -5.620 1.604 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.913 -6.697 1.649 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.776 -5.516 1.226 1.00 0.00 N ATOM 0 H ASN A 34 -4.854 -3.329 4.583 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.470 -5.528 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.554 -3.574 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.252 -3.952 1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.298 -6.350 0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.228 -4.602 1.204 1.00 0.00 H new ATOM 502 N PHE A 35 -1.576 -4.044 2.474 1.00 0.00 N ATOM 503 CA PHE A 35 -0.379 -3.232 2.288 1.00 0.00 C ATOM 504 C PHE A 35 -0.528 -2.313 1.079 1.00 0.00 C ATOM 505 O PHE A 35 -0.541 -2.771 -0.064 1.00 0.00 O ATOM 506 CB PHE A 35 0.849 -4.127 2.115 1.00 0.00 C ATOM 507 CG PHE A 35 2.007 -3.435 1.453 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.317 -2.122 1.767 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.784 -4.098 0.517 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.382 -1.482 1.160 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.850 -3.464 -0.093 1.00 0.00 C ATOM 512 CZ PHE A 35 4.148 -2.154 0.228 1.00 0.00 C ATOM 0 H PHE A 35 -1.489 -5.005 2.143 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.247 -2.615 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.164 -4.491 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.572 -5.000 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.720 -1.592 2.494 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.554 -5.122 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.614 -0.458 1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.449 -3.992 -0.820 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.979 -1.656 -0.249 1.00 0.00 H new ATOM 522 N ARG A 36 -0.641 -1.015 1.340 1.00 0.00 N ATOM 523 CA ARG A 36 -0.790 -0.032 0.274 1.00 0.00 C ATOM 524 C ARG A 36 0.371 0.958 0.280 1.00 0.00 C ATOM 525 O ARG A 36 1.270 0.872 1.117 1.00 0.00 O ATOM 526 CB ARG A 36 -2.114 0.719 0.426 1.00 0.00 C ATOM 527 CG ARG A 36 -2.285 1.386 1.781 1.00 0.00 C ATOM 528 CD ARG A 36 -3.508 2.289 1.808 1.00 0.00 C ATOM 529 NE ARG A 36 -3.612 3.033 3.061 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.750 3.537 3.524 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.875 3.378 2.841 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.764 4.201 4.672 1.00 0.00 N ATOM 0 H ARG A 36 -0.632 -0.620 2.280 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.787 -0.563 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.183 1.477 -0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.937 0.022 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.378 0.623 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.395 1.970 2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.460 2.989 0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.406 1.687 1.668 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.764 3.173 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.868 2.868 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.748 3.766 3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.900 4.325 5.200 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.639 4.588 5.027 1.00 0.00 H new ATOM 546 N LEU A 37 0.347 1.897 -0.660 1.00 0.00 N ATOM 547 CA LEU A 37 1.398 2.903 -0.764 1.00 0.00 C ATOM 548 C LEU A 37 0.809 4.275 -1.075 1.00 0.00 C ATOM 549 O LEU A 37 -0.081 4.404 -1.915 1.00 0.00 O ATOM 550 CB LEU A 37 2.403 2.508 -1.847 1.00 0.00 C ATOM 551 CG LEU A 37 3.259 1.276 -1.552 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.035 0.856 -2.791 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.208 1.551 -0.394 1.00 0.00 C ATOM 0 H LEU A 37 -0.389 1.982 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 37 1.911 2.958 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.857 2.333 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.068 3.354 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 37 2.598 0.457 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.639 -0.022 -2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.337 0.618 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.686 1.671 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.809 0.663 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.863 2.384 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.632 1.803 0.496 1.00 0.00 H new ATOM 565 N GLY A 38 1.315 5.299 -0.394 1.00 0.00 N ATOM 566 CA GLY A 38 0.828 6.649 -0.614 1.00 0.00 C ATOM 567 C GLY A 38 1.937 7.609 -0.995 1.00 0.00 C ATOM 568 O GLY A 38 2.837 7.878 -0.199 1.00 0.00 O ATOM 0 H GLY A 38 2.053 5.218 0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.075 6.637 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.336 7.007 0.291 1.00 0.00 H new ATOM 572 N LYS A 39 1.875 8.128 -2.217 1.00 0.00 N ATOM 573 CA LYS A 39 2.881 9.064 -2.703 1.00 0.00 C ATOM 574 C LYS A 39 2.650 10.458 -2.128 1.00 0.00 C ATOM 575 O LYS A 39 1.859 11.237 -2.661 1.00 0.00 O ATOM 576 CB LYS A 39 2.857 9.121 -4.232 1.00 0.00 C ATOM 577 CG LYS A 39 4.023 9.890 -4.830 1.00 0.00 C ATOM 578 CD LYS A 39 4.034 9.795 -6.347 1.00 0.00 C ATOM 579 CE LYS A 39 5.434 9.992 -6.907 1.00 0.00 C ATOM 580 NZ LYS A 39 5.406 10.567 -8.281 1.00 0.00 N ATOM 0 H LYS A 39 1.138 7.916 -2.889 1.00 0.00 H new ATOM 0 HA LYS A 39 3.859 8.712 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.863 8.104 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.924 9.582 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.962 10.936 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.960 9.499 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.651 8.822 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.365 10.547 -6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.999 10.652 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.956 9.035 -6.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.379 10.686 -8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.889 9.925 -8.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.930 11.492 -8.261 1.00 0.00 H new ATOM 594 N LEU A 40 3.346 10.767 -1.040 1.00 0.00 N ATOM 595 CA LEU A 40 3.218 12.068 -0.393 1.00 0.00 C ATOM 596 C LEU A 40 3.720 13.182 -1.307 1.00 0.00 C ATOM 597 O LEU A 40 4.918 13.295 -1.566 1.00 0.00 O ATOM 598 CB LEU A 40 3.996 12.084 0.924 1.00 0.00 C ATOM 599 CG LEU A 40 3.625 11.001 1.936 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.526 11.080 3.158 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.163 11.127 2.340 1.00 0.00 C ATOM 0 H LEU A 40 4.005 10.134 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 40 2.162 12.241 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.058 11.992 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.854 13.057 1.395 1.00 0.00 H new ATOM 0 HG LEU A 40 3.769 10.028 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.246 10.301 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.563 10.939 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.415 12.057 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.916 10.348 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.993 12.105 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.531 11.019 1.458 1.00 0.00 H new ATOM 613 N VAL A 41 2.795 14.004 -1.792 1.00 0.00 N ATOM 614 CA VAL A 41 3.143 15.111 -2.675 1.00 0.00 C ATOM 615 C VAL A 41 2.791 16.452 -2.040 1.00 0.00 C ATOM 616 O VAL A 41 1.877 16.540 -1.220 1.00 0.00 O ATOM 617 CB VAL A 41 2.425 14.994 -4.032 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.821 13.706 -4.737 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.917 15.066 -3.845 1.00 0.00 C ATOM 0 H VAL A 41 1.799 13.924 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 41 4.220 15.060 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 41 2.731 15.832 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.303 13.641 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.898 13.700 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.546 12.853 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.426 14.982 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.591 14.250 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.652 16.018 -3.386 1.00 0.00 H new ATOM 777 N MET A 52 -1.455 10.046 -2.509 1.00 0.00 N ATOM 778 CA MET A 52 -1.989 9.212 -3.579 1.00 0.00 C ATOM 779 C MET A 52 -2.068 7.753 -3.144 1.00 0.00 C ATOM 780 O MET A 52 -1.083 7.019 -3.218 1.00 0.00 O ATOM 781 CB MET A 52 -1.120 9.336 -4.833 1.00 0.00 C ATOM 782 CG MET A 52 -0.965 10.765 -5.326 1.00 0.00 C ATOM 783 SD MET A 52 -0.416 10.853 -7.041 1.00 0.00 S ATOM 784 CE MET A 52 -1.859 10.217 -7.891 1.00 0.00 C ATOM 0 HA MET A 52 -2.997 9.559 -3.807 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.133 8.924 -4.623 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.556 8.731 -5.628 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.918 11.285 -5.227 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.249 11.288 -4.692 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.888 10.614 -8.906 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.809 9.129 -7.929 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.759 10.520 -7.356 1.00 0.00 H new ATOM 794 N TRP A 53 -3.246 7.339 -2.689 1.00 0.00 N ATOM 795 CA TRP A 53 -3.452 5.967 -2.241 1.00 0.00 C ATOM 796 C TRP A 53 -3.504 5.009 -3.426 1.00 0.00 C ATOM 797 O TRP A 53 -4.385 5.110 -4.279 1.00 0.00 O ATOM 798 CB TRP A 53 -4.744 5.863 -1.428 1.00 0.00 C ATOM 799 CG TRP A 53 -4.674 6.568 -0.108 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.557 7.490 0.377 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.665 6.410 0.895 1.00 0.00 C ATOM 802 NE1 TRP A 53 -5.158 7.914 1.622 1.00 0.00 N ATOM 803 CE2 TRP A 53 -4.000 7.266 1.963 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.512 5.627 0.997 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.223 7.360 3.114 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.741 5.721 2.140 1.00 0.00 C ATOM 807 CH2 TRP A 53 -2.099 6.582 3.186 1.00 0.00 C ATOM 0 H TRP A 53 -4.072 7.934 -2.621 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.609 5.687 -1.609 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.566 6.279 -2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.974 4.811 -1.258 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.439 7.835 -0.142 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.645 8.600 2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.228 4.960 0.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.497 8.023 3.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.848 5.121 2.229 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.476 6.633 4.067 1.00 0.00 H new ATOM 818 N ASN A 54 -2.555 4.080 -3.472 1.00 0.00 N ATOM 819 CA ASN A 54 -2.494 3.104 -4.554 1.00 0.00 C ATOM 820 C ASN A 54 -1.985 1.758 -4.045 1.00 0.00 C ATOM 821 O ASN A 54 -0.981 1.723 -3.335 1.00 0.00 O ATOM 822 CB ASN A 54 -1.587 3.612 -5.677 1.00 0.00 C ATOM 823 CG ASN A 54 -1.896 5.045 -6.065 1.00 0.00 C ATOM 824 OD1 ASN A 54 -3.020 5.366 -6.453 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.897 5.914 -5.963 1.00 0.00 N ATOM 0 H ASN A 54 -1.818 3.982 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.503 2.968 -4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.546 3.540 -5.361 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.700 2.969 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.045 6.892 -6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.018 5.603 -5.637 1.00 0.00 H new ATOM 832 N HIS A 55 -2.681 0.693 -4.414 1.00 0.00 N ATOM 833 CA HIS A 55 -2.290 -0.640 -3.990 1.00 0.00 C ATOM 834 C HIS A 55 -0.785 -0.824 -4.197 1.00 0.00 C ATOM 835 O HIS A 55 -0.222 -0.477 -5.235 1.00 0.00 O ATOM 836 CB HIS A 55 -3.122 -1.705 -4.707 1.00 0.00 C ATOM 837 CG HIS A 55 -4.605 -1.609 -4.440 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.495 -1.056 -5.344 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.344 -2.001 -3.362 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.712 -1.118 -4.823 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.616 -1.703 -3.595 1.00 0.00 N ATOM 0 H HIS A 55 -3.514 0.726 -5.002 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.492 -0.760 -2.926 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.951 -1.623 -5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.772 -2.691 -4.402 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.255 -0.667 -6.256 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.959 -2.474 -2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.621 -0.767 -5.289 1.00 0.00 H new ATOM 849 N ALA A 56 -0.142 -1.384 -3.177 1.00 0.00 N ATOM 850 CA ALA A 56 1.294 -1.628 -3.222 1.00 0.00 C ATOM 851 C ALA A 56 1.681 -2.398 -4.480 1.00 0.00 C ATOM 852 O ALA A 56 2.838 -2.376 -4.902 1.00 0.00 O ATOM 853 CB ALA A 56 1.740 -2.385 -1.980 1.00 0.00 C ATOM 0 H ALA A 56 -0.593 -1.677 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 56 1.801 -0.663 -3.248 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.815 -2.560 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.507 -1.797 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.218 -3.341 -1.930 1.00 0.00 H new ATOM 859 N SER A 57 0.707 -3.079 -5.075 1.00 0.00 N ATOM 860 CA SER A 57 0.947 -3.860 -6.283 1.00 0.00 C ATOM 861 C SER A 57 0.656 -3.033 -7.531 1.00 0.00 C ATOM 862 O SER A 57 1.153 -3.331 -8.618 1.00 0.00 O ATOM 863 CB SER A 57 0.083 -5.122 -6.280 1.00 0.00 C ATOM 864 OG SER A 57 0.417 -5.972 -7.363 1.00 0.00 O ATOM 0 H SER A 57 -0.256 -3.106 -4.740 1.00 0.00 H new ATOM 0 HA SER A 57 1.998 -4.149 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.218 -5.656 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.970 -4.846 -6.342 1.00 0.00 H new ATOM 0 HG SER A 57 -0.148 -6.772 -7.337 1.00 0.00 H new ATOM 870 N CYS A 58 -0.155 -1.993 -7.368 1.00 0.00 N ATOM 871 CA CYS A 58 -0.515 -1.121 -8.480 1.00 0.00 C ATOM 872 C CYS A 58 0.627 -0.166 -8.814 1.00 0.00 C ATOM 873 O CYS A 58 0.732 0.324 -9.939 1.00 0.00 O ATOM 874 CB CYS A 58 -1.778 -0.327 -8.144 1.00 0.00 C ATOM 875 SG CYS A 58 -3.324 -1.271 -8.337 1.00 0.00 S ATOM 0 H CYS A 58 -0.576 -1.733 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.709 -1.746 -9.352 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.708 0.028 -7.116 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.821 0.554 -8.784 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.548 -1.484 -9.600 1.00 0.00 H new ATOM 880 N ILE A 59 1.480 0.095 -7.829 1.00 0.00 N ATOM 881 CA ILE A 59 2.615 0.990 -8.018 1.00 0.00 C ATOM 882 C ILE A 59 3.850 0.223 -8.477 1.00 0.00 C ATOM 883 O ILE A 59 4.521 0.619 -9.432 1.00 0.00 O ATOM 884 CB ILE A 59 2.950 1.755 -6.724 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.746 2.580 -6.267 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.162 2.650 -6.937 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.480 3.792 -7.132 1.00 0.00 C ATOM 0 H ILE A 59 1.407 -0.301 -6.892 1.00 0.00 H new ATOM 0 HA ILE A 59 2.328 1.705 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 59 3.189 1.032 -5.944 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.860 1.944 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.908 2.906 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.387 3.184 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.019 2.040 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.949 3.368 -7.729 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.612 4.329 -6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.350 4.449 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.286 3.473 -8.156 1.00 0.00 H new ATOM 899 N LEU A 60 4.144 -0.877 -7.793 1.00 0.00 N ATOM 900 CA LEU A 60 5.299 -1.702 -8.132 1.00 0.00 C ATOM 901 C LEU A 60 5.234 -2.160 -9.585 1.00 0.00 C ATOM 902 O LEU A 60 6.263 -2.350 -10.234 1.00 0.00 O ATOM 903 CB LEU A 60 5.370 -2.918 -7.205 1.00 0.00 C ATOM 904 CG LEU A 60 5.644 -2.622 -5.730 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.491 -3.885 -4.896 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.034 -2.029 -5.554 1.00 0.00 C ATOM 0 H LEU A 60 3.599 -1.218 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 60 6.197 -1.098 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.427 -3.460 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.150 -3.585 -7.572 1.00 0.00 H new ATOM 0 HG LEU A 60 4.913 -1.891 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.690 -3.656 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.475 -4.267 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.198 -4.638 -5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.211 -1.825 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.780 -2.736 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.108 -1.101 -6.120 1.00 0.00 H new ATOM 918 N LYS A 61 4.018 -2.332 -10.092 1.00 0.00 N ATOM 919 CA LYS A 61 3.817 -2.764 -11.470 1.00 0.00 C ATOM 920 C LYS A 61 4.264 -1.683 -12.449 1.00 0.00 C ATOM 921 O LYS A 61 4.572 -1.967 -13.607 1.00 0.00 O ATOM 922 CB LYS A 61 2.345 -3.106 -11.710 1.00 0.00 C ATOM 923 CG LYS A 61 1.444 -1.887 -11.807 1.00 0.00 C ATOM 924 CD LYS A 61 0.283 -2.125 -12.758 1.00 0.00 C ATOM 925 CE LYS A 61 -0.800 -2.977 -12.113 1.00 0.00 C ATOM 926 NZ LYS A 61 -2.071 -2.935 -12.887 1.00 0.00 N ATOM 0 H LYS A 61 3.156 -2.179 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 61 4.422 -3.655 -11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.261 -3.684 -12.630 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.992 -3.744 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.060 -1.638 -10.818 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.025 -1.030 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.140 -1.168 -13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.645 -2.617 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.454 -4.008 -12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.981 -2.626 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.784 -3.528 -12.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.414 -1.955 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.904 -3.293 -13.849 1.00 0.00 H new ATOM 940 N LYS A 62 4.299 -0.441 -11.977 1.00 0.00 N ATOM 941 CA LYS A 62 4.711 0.683 -12.809 1.00 0.00 C ATOM 942 C LYS A 62 6.206 0.949 -12.663 1.00 0.00 C ATOM 943 O LYS A 62 6.908 0.231 -11.951 1.00 0.00 O ATOM 944 CB LYS A 62 3.919 1.938 -12.435 1.00 0.00 C ATOM 945 CG LYS A 62 2.477 1.912 -12.911 1.00 0.00 C ATOM 946 CD LYS A 62 1.788 3.246 -12.676 1.00 0.00 C ATOM 947 CE LYS A 62 0.289 3.073 -12.484 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.460 4.314 -12.823 1.00 0.00 N ATOM 0 H LYS A 62 4.047 -0.188 -11.022 1.00 0.00 H new ATOM 0 HA LYS A 62 4.506 0.428 -13.849 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.933 2.057 -11.352 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.417 2.811 -12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.448 1.669 -13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.935 1.124 -12.388 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.215 3.727 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.974 3.907 -13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.065 2.253 -13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.085 2.797 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.160 4.511 -12.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.204 5.112 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.948 4.188 -13.733 1.00 0.00 H new ATOM 962 N THR A 63 6.686 1.988 -13.340 1.00 0.00 N ATOM 963 CA THR A 63 8.097 2.349 -13.284 1.00 0.00 C ATOM 964 C THR A 63 8.277 3.797 -12.842 1.00 0.00 C ATOM 965 O THR A 63 7.340 4.594 -12.894 1.00 0.00 O ATOM 966 CB THR A 63 8.781 2.153 -14.650 1.00 0.00 C ATOM 967 OG1 THR A 63 8.440 0.870 -15.189 1.00 0.00 O ATOM 968 CG2 THR A 63 10.293 2.268 -14.520 1.00 0.00 C ATOM 0 H THR A 63 6.119 2.594 -13.933 1.00 0.00 H new ATOM 0 HA THR A 63 8.564 1.688 -12.554 1.00 0.00 H new ATOM 0 HB THR A 63 8.429 2.935 -15.323 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.877 0.754 -16.058 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.754 2.126 -15.497 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.551 3.255 -14.137 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.658 1.505 -13.832 1.00 0.00 H new ATOM 976 N LYS A 64 9.487 4.132 -12.408 1.00 0.00 N ATOM 977 CA LYS A 64 9.792 5.485 -11.958 1.00 0.00 C ATOM 978 C LYS A 64 8.841 5.915 -10.846 1.00 0.00 C ATOM 979 O LYS A 64 8.281 7.010 -10.886 1.00 0.00 O ATOM 980 CB LYS A 64 9.701 6.466 -13.129 1.00 0.00 C ATOM 981 CG LYS A 64 10.847 6.340 -14.119 1.00 0.00 C ATOM 982 CD LYS A 64 11.136 7.662 -14.808 1.00 0.00 C ATOM 983 CE LYS A 64 11.794 7.452 -16.163 1.00 0.00 C ATOM 984 NZ LYS A 64 11.718 8.673 -17.013 1.00 0.00 N ATOM 0 H LYS A 64 10.273 3.484 -12.358 1.00 0.00 H new ATOM 0 HA LYS A 64 10.809 5.491 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.759 6.306 -13.654 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.679 7.484 -12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.742 5.996 -13.600 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.602 5.585 -14.866 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.207 8.218 -14.936 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.786 8.268 -14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.838 7.174 -16.020 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.310 6.621 -16.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.178 8.488 -17.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.721 8.925 -17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.202 9.460 -16.535 1.00 0.00 H new ATOM 998 N GLN A 65 8.665 5.047 -9.855 1.00 0.00 N ATOM 999 CA GLN A 65 7.783 5.339 -8.731 1.00 0.00 C ATOM 1000 C GLN A 65 8.583 5.539 -7.448 1.00 0.00 C ATOM 1001 O GLN A 65 8.458 6.566 -6.781 1.00 0.00 O ATOM 1002 CB GLN A 65 6.770 4.209 -8.544 1.00 0.00 C ATOM 1003 CG GLN A 65 5.962 3.903 -9.795 1.00 0.00 C ATOM 1004 CD GLN A 65 4.914 4.959 -10.086 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.313 5.523 -9.170 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.689 5.234 -11.365 1.00 0.00 N ATOM 0 H GLN A 65 9.121 4.136 -9.808 1.00 0.00 H new ATOM 0 HA GLN A 65 7.249 6.263 -8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.297 3.307 -8.233 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.087 4.474 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.636 3.821 -10.647 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.475 2.935 -9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.210 4.743 -12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.995 5.937 -11.621 1.00 0.00 H new ATOM 1015 N ILE A 66 9.404 4.551 -7.109 1.00 0.00 N ATOM 1016 CA ILE A 66 10.224 4.619 -5.906 1.00 0.00 C ATOM 1017 C ILE A 66 11.708 4.538 -6.248 1.00 0.00 C ATOM 1018 O ILE A 66 12.110 3.802 -7.149 1.00 0.00 O ATOM 1019 CB ILE A 66 9.873 3.488 -4.921 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.410 3.596 -4.487 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.795 3.534 -3.712 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.931 2.412 -3.676 1.00 0.00 C ATOM 0 H ILE A 66 9.519 3.694 -7.650 1.00 0.00 H new ATOM 0 HA ILE A 66 10.014 5.579 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 66 10.013 2.531 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.280 4.505 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.783 3.697 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.535 2.729 -3.025 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.828 3.413 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.684 4.493 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.886 2.557 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.029 1.502 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.533 2.323 -2.772 1.00 0.00 H new ATOM 1034 N LYS A 67 12.519 5.299 -5.520 1.00 0.00 N ATOM 1035 CA LYS A 67 13.960 5.312 -5.743 1.00 0.00 C ATOM 1036 C LYS A 67 14.648 4.230 -4.916 1.00 0.00 C ATOM 1037 O LYS A 67 15.460 3.463 -5.434 1.00 0.00 O ATOM 1038 CB LYS A 67 14.538 6.684 -5.389 1.00 0.00 C ATOM 1039 CG LYS A 67 15.915 6.934 -5.979 1.00 0.00 C ATOM 1040 CD LYS A 67 16.317 8.395 -5.858 1.00 0.00 C ATOM 1041 CE LYS A 67 15.770 9.221 -7.011 1.00 0.00 C ATOM 1042 NZ LYS A 67 16.123 10.662 -6.877 1.00 0.00 N ATOM 0 H LYS A 67 12.203 5.915 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 67 14.142 5.109 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.856 7.458 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.594 6.776 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.649 6.310 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.921 6.640 -7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.949 8.798 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.404 8.474 -5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.164 8.837 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.686 9.115 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.732 11.192 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.726 11.036 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.158 10.766 -6.864 1.00 0.00 H new ATOM 1056 N SER A 68 14.318 4.174 -3.630 1.00 0.00 N ATOM 1057 CA SER A 68 14.906 3.187 -2.732 1.00 0.00 C ATOM 1058 C SER A 68 14.010 2.954 -1.520 1.00 0.00 C ATOM 1059 O SER A 68 13.249 3.834 -1.117 1.00 0.00 O ATOM 1060 CB SER A 68 16.292 3.645 -2.275 1.00 0.00 C ATOM 1061 OG SER A 68 16.779 2.828 -1.225 1.00 0.00 O ATOM 0 H SER A 68 13.646 4.801 -3.186 1.00 0.00 H new ATOM 0 HA SER A 68 15.002 2.248 -3.277 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.985 3.613 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.244 4.681 -1.941 1.00 0.00 H new ATOM 0 HG SER A 68 17.667 3.141 -0.952 1.00 0.00 H new ATOM 1067 N VAL A 69 14.106 1.761 -0.942 1.00 0.00 N ATOM 1068 CA VAL A 69 13.305 1.410 0.225 1.00 0.00 C ATOM 1069 C VAL A 69 13.479 2.436 1.340 1.00 0.00 C ATOM 1070 O VAL A 69 12.589 2.625 2.168 1.00 0.00 O ATOM 1071 CB VAL A 69 13.678 0.016 0.763 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.257 -1.066 -0.219 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.170 -0.063 1.048 1.00 0.00 C ATOM 0 H VAL A 69 14.731 1.021 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 69 12.264 1.401 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 69 13.143 -0.148 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.529 -2.044 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.178 -1.022 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.762 -0.909 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.416 -1.055 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.726 0.122 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.439 0.687 1.792 1.00 0.00 H new ATOM 1083 N ASP A 70 14.632 3.096 1.353 1.00 0.00 N ATOM 1084 CA ASP A 70 14.923 4.105 2.365 1.00 0.00 C ATOM 1085 C ASP A 70 13.986 5.300 2.227 1.00 0.00 C ATOM 1086 O ASP A 70 13.747 6.029 3.189 1.00 0.00 O ATOM 1087 CB ASP A 70 16.378 4.565 2.253 1.00 0.00 C ATOM 1088 CG ASP A 70 17.316 3.733 3.105 1.00 0.00 C ATOM 1089 OD1 ASP A 70 17.678 2.619 2.672 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.688 4.195 4.204 1.00 0.00 O ATOM 0 H ASP A 70 15.380 2.951 0.675 1.00 0.00 H new ATOM 0 HA ASP A 70 14.766 3.656 3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.694 4.511 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.450 5.610 2.554 1.00 0.00 H new ATOM 1095 N ASP A 71 13.459 5.496 1.023 1.00 0.00 N ATOM 1096 CA ASP A 71 12.548 6.603 0.758 1.00 0.00 C ATOM 1097 C ASP A 71 11.146 6.286 1.268 1.00 0.00 C ATOM 1098 O ASP A 71 10.351 7.189 1.531 1.00 0.00 O ATOM 1099 CB ASP A 71 12.502 6.906 -0.741 1.00 0.00 C ATOM 1100 CG ASP A 71 13.690 7.727 -1.202 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.799 7.521 -0.665 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.511 8.575 -2.101 1.00 0.00 O ATOM 0 H ASP A 71 13.647 4.902 0.215 1.00 0.00 H new ATOM 0 HA ASP A 71 12.918 7.481 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.474 5.969 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.582 7.442 -0.972 1.00 0.00 H new ATOM 1107 N VAL A 72 10.848 4.998 1.405 1.00 0.00 N ATOM 1108 CA VAL A 72 9.541 4.562 1.884 1.00 0.00 C ATOM 1109 C VAL A 72 9.450 4.667 3.403 1.00 0.00 C ATOM 1110 O VAL A 72 10.357 4.245 4.119 1.00 0.00 O ATOM 1111 CB VAL A 72 9.244 3.111 1.462 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.862 2.689 1.937 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.367 2.960 -0.047 1.00 0.00 C ATOM 0 H VAL A 72 11.494 4.238 1.191 1.00 0.00 H new ATOM 0 HA VAL A 72 8.801 5.222 1.432 1.00 0.00 H new ATOM 0 HB VAL A 72 9.979 2.457 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.670 1.661 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.814 2.758 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.110 3.345 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.154 1.929 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.656 3.624 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.379 3.219 -0.357 1.00 0.00 H new ATOM 1123 N GLU A 73 8.348 5.232 3.886 1.00 0.00 N ATOM 1124 CA GLU A 73 8.139 5.392 5.320 1.00 0.00 C ATOM 1125 C GLU A 73 7.339 4.223 5.887 1.00 0.00 C ATOM 1126 O GLU A 73 6.576 3.574 5.173 1.00 0.00 O ATOM 1127 CB GLU A 73 7.413 6.708 5.608 1.00 0.00 C ATOM 1128 CG GLU A 73 7.272 7.014 7.090 1.00 0.00 C ATOM 1129 CD GLU A 73 8.578 7.454 7.722 1.00 0.00 C ATOM 1130 OE1 GLU A 73 8.865 8.669 7.705 1.00 0.00 O ATOM 1131 OE2 GLU A 73 9.312 6.583 8.235 1.00 0.00 O ATOM 0 H GLU A 73 7.587 5.586 3.306 1.00 0.00 H new ATOM 0 HA GLU A 73 9.116 5.410 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.953 7.524 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.421 6.672 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.525 7.796 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.903 6.128 7.607 1.00 0.00 H new ATOM 1138 N GLY A 74 7.520 3.960 7.178 1.00 0.00 N ATOM 1139 CA GLY A 74 6.809 2.870 7.820 1.00 0.00 C ATOM 1140 C GLY A 74 6.909 1.574 7.039 1.00 0.00 C ATOM 1141 O GLY A 74 6.057 0.695 7.172 1.00 0.00 O ATOM 0 H GLY A 74 8.146 4.483 7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.210 2.719 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.760 3.142 7.934 1.00 0.00 H new ATOM 1145 N ILE A 75 7.950 1.456 6.222 1.00 0.00 N ATOM 1146 CA ILE A 75 8.157 0.259 5.416 1.00 0.00 C ATOM 1147 C ILE A 75 8.626 -0.908 6.278 1.00 0.00 C ATOM 1148 O ILE A 75 8.288 -2.062 6.014 1.00 0.00 O ATOM 1149 CB ILE A 75 9.186 0.504 4.298 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.265 -0.712 3.372 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.552 0.813 4.893 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.093 -0.472 2.129 1.00 0.00 C ATOM 0 H ILE A 75 8.663 2.175 6.101 1.00 0.00 H new ATOM 0 HA ILE A 75 7.196 0.011 4.965 1.00 0.00 H new ATOM 0 HB ILE A 75 8.864 1.364 3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.688 -1.552 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.256 -1.000 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.269 0.984 4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.485 1.706 5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.883 -0.029 5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.105 -1.376 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.659 0.347 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.113 -0.214 2.415 1.00 0.00 H new ATOM 1164 N GLU A 76 9.406 -0.600 7.309 1.00 0.00 N ATOM 1165 CA GLU A 76 9.921 -1.624 8.210 1.00 0.00 C ATOM 1166 C GLU A 76 8.794 -2.243 9.031 1.00 0.00 C ATOM 1167 O GLU A 76 8.987 -3.252 9.710 1.00 0.00 O ATOM 1168 CB GLU A 76 10.979 -1.030 9.142 1.00 0.00 C ATOM 1169 CG GLU A 76 10.468 0.126 9.985 1.00 0.00 C ATOM 1170 CD GLU A 76 11.234 0.285 11.284 1.00 0.00 C ATOM 1171 OE1 GLU A 76 12.474 0.421 11.229 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.592 0.274 12.355 1.00 0.00 O ATOM 0 H GLU A 76 9.695 0.350 7.541 1.00 0.00 H new ATOM 0 HA GLU A 76 10.379 -2.407 7.605 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.350 -1.814 9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.825 -0.688 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.540 1.049 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.412 -0.030 10.207 1.00 0.00 H new ATOM 1179 N SER A 77 7.616 -1.631 8.964 1.00 0.00 N ATOM 1180 CA SER A 77 6.458 -2.119 9.704 1.00 0.00 C ATOM 1181 C SER A 77 5.683 -3.147 8.885 1.00 0.00 C ATOM 1182 O SER A 77 4.875 -3.905 9.423 1.00 0.00 O ATOM 1183 CB SER A 77 5.540 -0.954 10.082 1.00 0.00 C ATOM 1184 OG SER A 77 4.488 -1.387 10.927 1.00 0.00 O ATOM 0 H SER A 77 7.438 -0.797 8.405 1.00 0.00 H new ATOM 0 HA SER A 77 6.816 -2.601 10.614 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.119 -0.179 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.125 -0.506 9.179 1.00 0.00 H new ATOM 0 HG SER A 77 4.237 -2.305 10.692 1.00 0.00 H new ATOM 1190 N LEU A 78 5.935 -3.166 7.581 1.00 0.00 N ATOM 1191 CA LEU A 78 5.262 -4.100 6.685 1.00 0.00 C ATOM 1192 C LEU A 78 5.772 -5.522 6.898 1.00 0.00 C ATOM 1193 O LEU A 78 6.807 -5.732 7.530 1.00 0.00 O ATOM 1194 CB LEU A 78 5.472 -3.682 5.229 1.00 0.00 C ATOM 1195 CG LEU A 78 5.395 -2.182 4.943 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.820 -1.889 3.512 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.989 -1.661 5.202 1.00 0.00 C ATOM 0 H LEU A 78 6.601 -2.545 7.120 1.00 0.00 H new ATOM 0 HA LEU A 78 4.196 -4.079 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.448 -4.043 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.726 -4.187 4.616 1.00 0.00 H new ATOM 0 HG LEU A 78 6.081 -1.667 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.759 -0.817 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.846 -2.225 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.160 -2.415 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.953 -0.592 4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.283 -2.181 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.722 -1.836 6.244 1.00 0.00 H new ATOM 1209 N ARG A 79 5.040 -6.494 6.364 1.00 0.00 N ATOM 1210 CA ARG A 79 5.419 -7.895 6.494 1.00 0.00 C ATOM 1211 C ARG A 79 6.622 -8.217 5.611 1.00 0.00 C ATOM 1212 O ARG A 79 6.779 -7.651 4.529 1.00 0.00 O ATOM 1213 CB ARG A 79 4.243 -8.801 6.122 1.00 0.00 C ATOM 1214 CG ARG A 79 3.122 -8.795 7.149 1.00 0.00 C ATOM 1215 CD ARG A 79 3.586 -9.360 8.483 1.00 0.00 C ATOM 1216 NE ARG A 79 4.220 -8.344 9.317 1.00 0.00 N ATOM 1217 CZ ARG A 79 4.667 -8.576 10.546 1.00 0.00 C ATOM 1218 NH1 ARG A 79 4.550 -9.784 11.081 1.00 0.00 N ATOM 1219 NH2 ARG A 79 5.233 -7.599 11.244 1.00 0.00 N ATOM 0 H ARG A 79 4.181 -6.337 5.837 1.00 0.00 H new ATOM 0 HA ARG A 79 5.693 -8.076 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.843 -8.486 5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.606 -9.821 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.761 -7.776 7.290 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.282 -9.382 6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.733 -9.784 9.013 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.289 -10.174 8.307 1.00 0.00 H new ATOM 0 HE ARG A 79 4.326 -7.404 8.935 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.116 -10.538 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.894 -9.959 12.025 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.325 -6.668 10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.576 -7.779 12.188 1.00 0.00 H new ATOM 1233 N TRP A 80 7.466 -9.129 6.080 1.00 0.00 N ATOM 1234 CA TRP A 80 8.654 -9.525 5.333 1.00 0.00 C ATOM 1235 C TRP A 80 8.368 -9.566 3.836 1.00 0.00 C ATOM 1236 O TRP A 80 9.018 -8.874 3.053 1.00 0.00 O ATOM 1237 CB TRP A 80 9.147 -10.893 5.808 1.00 0.00 C ATOM 1238 CG TRP A 80 10.086 -11.554 4.845 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.325 -11.115 4.476 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.859 -12.772 4.126 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.882 -11.986 3.571 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.003 -13.011 3.341 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.802 -13.684 4.071 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.117 -14.123 2.511 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.916 -14.787 3.247 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.067 -15.000 2.477 1.00 0.00 C ATOM 0 H TRP A 80 7.350 -9.608 6.973 1.00 0.00 H new ATOM 0 HA TRP A 80 9.431 -8.783 5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.647 -10.777 6.770 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.288 -11.544 5.971 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.798 -10.215 4.842 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.801 -11.886 3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.912 -13.529 4.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.003 -14.288 1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.104 -15.497 3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.127 -15.873 1.844 1.00 0.00 H new ATOM 1257 N GLU A 81 7.393 -10.381 3.446 1.00 0.00 N ATOM 1258 CA GLU A 81 7.022 -10.510 2.042 1.00 0.00 C ATOM 1259 C GLU A 81 6.806 -9.140 1.407 1.00 0.00 C ATOM 1260 O GLU A 81 7.201 -8.903 0.265 1.00 0.00 O ATOM 1261 CB GLU A 81 5.754 -11.355 1.902 1.00 0.00 C ATOM 1262 CG GLU A 81 4.473 -10.572 2.132 1.00 0.00 C ATOM 1263 CD GLU A 81 3.229 -11.389 1.839 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.160 -11.995 0.749 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.326 -11.422 2.700 1.00 0.00 O ATOM 0 H GLU A 81 6.846 -10.961 4.082 1.00 0.00 H new ATOM 0 HA GLU A 81 7.841 -11.007 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.728 -11.793 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.798 -12.181 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.442 -10.228 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.476 -9.683 1.501 1.00 0.00 H new ATOM 1272 N ASP A 82 6.177 -8.241 2.156 1.00 0.00 N ATOM 1273 CA ASP A 82 5.908 -6.893 1.668 1.00 0.00 C ATOM 1274 C ASP A 82 7.204 -6.107 1.500 1.00 0.00 C ATOM 1275 O ASP A 82 7.489 -5.586 0.422 1.00 0.00 O ATOM 1276 CB ASP A 82 4.972 -6.157 2.628 1.00 0.00 C ATOM 1277 CG ASP A 82 3.622 -6.836 2.754 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.590 -8.080 2.855 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.597 -6.122 2.753 1.00 0.00 O ATOM 0 H ASP A 82 5.844 -8.421 3.103 1.00 0.00 H new ATOM 0 HA ASP A 82 5.425 -6.976 0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.439 -6.097 3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.830 -5.134 2.280 1.00 0.00 H new ATOM 1284 N GLN A 83 7.984 -6.026 2.573 1.00 0.00 N ATOM 1285 CA GLN A 83 9.249 -5.301 2.544 1.00 0.00 C ATOM 1286 C GLN A 83 10.109 -5.754 1.368 1.00 0.00 C ATOM 1287 O GLN A 83 10.857 -4.964 0.794 1.00 0.00 O ATOM 1288 CB GLN A 83 10.009 -5.507 3.855 1.00 0.00 C ATOM 1289 CG GLN A 83 9.233 -5.062 5.084 1.00 0.00 C ATOM 1290 CD GLN A 83 10.126 -4.832 6.287 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.165 -4.179 6.188 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.725 -5.369 7.434 1.00 0.00 N ATOM 0 H GLN A 83 7.763 -6.453 3.472 1.00 0.00 H new ATOM 0 HA GLN A 83 9.028 -4.240 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.261 -6.562 3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.949 -4.957 3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.694 -4.143 4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.486 -5.817 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.857 -5.903 7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.285 -5.247 8.278 1.00 0.00 H new ATOM 1301 N GLN A 84 9.996 -7.031 1.016 1.00 0.00 N ATOM 1302 CA GLN A 84 10.764 -7.589 -0.091 1.00 0.00 C ATOM 1303 C GLN A 84 10.326 -6.980 -1.419 1.00 0.00 C ATOM 1304 O GLN A 84 11.155 -6.643 -2.264 1.00 0.00 O ATOM 1305 CB GLN A 84 10.604 -9.109 -0.135 1.00 0.00 C ATOM 1306 CG GLN A 84 11.071 -9.807 1.132 1.00 0.00 C ATOM 1307 CD GLN A 84 12.535 -10.196 1.079 1.00 0.00 C ATOM 1308 OE1 GLN A 84 12.913 -11.144 0.391 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.369 -9.463 1.807 1.00 0.00 N ATOM 0 H GLN A 84 9.380 -7.698 1.481 1.00 0.00 H new ATOM 0 HA GLN A 84 11.814 -7.346 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.555 -9.351 -0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.165 -9.501 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.904 -9.151 1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.467 -10.700 1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.012 -8.686 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.366 -9.677 1.810 1.00 0.00 H new ATOM 1318 N LYS A 85 9.016 -6.842 -1.597 1.00 0.00 N ATOM 1319 CA LYS A 85 8.466 -6.274 -2.822 1.00 0.00 C ATOM 1320 C LYS A 85 9.054 -4.893 -3.093 1.00 0.00 C ATOM 1321 O LYS A 85 9.170 -4.473 -4.244 1.00 0.00 O ATOM 1322 CB LYS A 85 6.941 -6.180 -2.725 1.00 0.00 C ATOM 1323 CG LYS A 85 6.261 -7.525 -2.534 1.00 0.00 C ATOM 1324 CD LYS A 85 4.772 -7.364 -2.272 1.00 0.00 C ATOM 1325 CE LYS A 85 4.226 -8.512 -1.438 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.739 -8.486 -1.365 1.00 0.00 N ATOM 0 H LYS A 85 8.316 -7.116 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 85 8.732 -6.932 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.678 -5.527 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.556 -5.713 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.411 -8.139 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.723 -8.053 -1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.592 -6.421 -1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.238 -7.316 -3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.552 -9.460 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.640 -8.458 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.406 -9.284 -0.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.428 -7.593 -0.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.343 -8.563 -2.324 1.00 0.00 H new ATOM 1340 N ILE A 86 9.425 -4.193 -2.026 1.00 0.00 N ATOM 1341 CA ILE A 86 10.004 -2.861 -2.150 1.00 0.00 C ATOM 1342 C ILE A 86 11.454 -2.933 -2.616 1.00 0.00 C ATOM 1343 O ILE A 86 11.782 -2.516 -3.727 1.00 0.00 O ATOM 1344 CB ILE A 86 9.942 -2.094 -0.816 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.545 -2.204 -0.203 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.320 -0.635 -1.026 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.469 -1.531 -1.027 1.00 0.00 C ATOM 0 H ILE A 86 9.335 -4.526 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 86 9.412 -2.328 -2.894 1.00 0.00 H new ATOM 0 HB ILE A 86 10.658 -2.539 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.292 -3.257 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.558 -1.762 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.271 -0.106 -0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.333 -0.575 -1.423 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.626 -0.177 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.505 -1.649 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.698 -0.470 -1.128 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.428 -1.989 -2.015 1.00 0.00 H new ATOM 1359 N ARG A 87 12.319 -3.466 -1.759 1.00 0.00 N ATOM 1360 CA ARG A 87 13.735 -3.594 -2.083 1.00 0.00 C ATOM 1361 C ARG A 87 13.926 -4.332 -3.404 1.00 0.00 C ATOM 1362 O ARG A 87 14.792 -3.979 -4.206 1.00 0.00 O ATOM 1363 CB ARG A 87 14.471 -4.332 -0.963 1.00 0.00 C ATOM 1364 CG ARG A 87 13.769 -5.600 -0.505 1.00 0.00 C ATOM 1365 CD ARG A 87 13.992 -5.855 0.978 1.00 0.00 C ATOM 1366 NE ARG A 87 15.133 -6.734 1.216 1.00 0.00 N ATOM 1367 CZ ARG A 87 16.387 -6.304 1.305 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.658 -5.013 1.176 1.00 0.00 N ATOM 1369 NH2 ARG A 87 17.371 -7.166 1.524 1.00 0.00 N ATOM 0 H ARG A 87 12.064 -3.816 -0.835 1.00 0.00 H new ATOM 0 HA ARG A 87 14.151 -2.592 -2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.474 -4.586 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.584 -3.662 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.701 -5.518 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.137 -6.449 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.153 -4.906 1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.095 -6.301 1.408 1.00 0.00 H new ATOM 0 HE ARG A 87 14.958 -7.733 1.320 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.903 -4.348 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.621 -4.685 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.165 -8.160 1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 87 18.333 -6.835 1.592 1.00 0.00 H new ATOM 1383 N LYS A 88 13.113 -5.359 -3.626 1.00 0.00 N ATOM 1384 CA LYS A 88 13.190 -6.147 -4.850 1.00 0.00 C ATOM 1385 C LYS A 88 12.633 -5.366 -6.036 1.00 0.00 C ATOM 1386 O LYS A 88 12.557 -5.883 -7.151 1.00 0.00 O ATOM 1387 CB LYS A 88 12.423 -7.461 -4.685 1.00 0.00 C ATOM 1388 CG LYS A 88 12.819 -8.245 -3.446 1.00 0.00 C ATOM 1389 CD LYS A 88 13.949 -9.217 -3.739 1.00 0.00 C ATOM 1390 CE LYS A 88 13.431 -10.503 -4.363 1.00 0.00 C ATOM 1391 NZ LYS A 88 14.541 -11.395 -4.799 1.00 0.00 N ATOM 0 H LYS A 88 12.392 -5.665 -2.973 1.00 0.00 H new ATOM 0 HA LYS A 88 14.239 -6.368 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.355 -7.246 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.588 -8.082 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.126 -7.555 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.955 -8.793 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.668 -8.749 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.480 -9.448 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.804 -11.029 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.801 -10.263 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.146 -12.261 -5.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.125 -10.903 -5.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.128 -11.645 -3.978 1.00 0.00 H new ATOM 1405 N TYR A 89 12.247 -4.120 -5.789 1.00 0.00 N ATOM 1406 CA TYR A 89 11.696 -3.268 -6.837 1.00 0.00 C ATOM 1407 C TYR A 89 12.619 -2.087 -7.120 1.00 0.00 C ATOM 1408 O TYR A 89 12.804 -1.690 -8.270 1.00 0.00 O ATOM 1409 CB TYR A 89 10.309 -2.762 -6.435 1.00 0.00 C ATOM 1410 CG TYR A 89 9.830 -1.590 -7.261 1.00 0.00 C ATOM 1411 CD1 TYR A 89 10.239 -0.295 -6.969 1.00 0.00 C ATOM 1412 CD2 TYR A 89 8.969 -1.778 -8.335 1.00 0.00 C ATOM 1413 CE1 TYR A 89 9.803 0.779 -7.720 1.00 0.00 C ATOM 1414 CE2 TYR A 89 8.529 -0.710 -9.093 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.948 0.566 -8.781 1.00 0.00 C ATOM 1416 OH TYR A 89 8.513 1.633 -9.533 1.00 0.00 O ATOM 0 H TYR A 89 12.305 -3.677 -4.872 1.00 0.00 H new ATOM 0 HA TYR A 89 11.609 -3.863 -7.746 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.593 -3.578 -6.528 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.328 -2.472 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.910 -0.125 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.638 -2.776 -8.582 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.130 1.780 -7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.861 -0.874 -9.925 1.00 0.00 H new ATOM 0 HH TYR A 89 8.007 1.304 -10.305 1.00 0.00 H new ATOM 1426 N VAL A 90 13.196 -1.528 -6.061 1.00 0.00 N ATOM 1427 CA VAL A 90 14.102 -0.393 -6.193 1.00 0.00 C ATOM 1428 C VAL A 90 15.447 -0.827 -6.765 1.00 0.00 C ATOM 1429 O VAL A 90 16.127 -0.050 -7.434 1.00 0.00 O ATOM 1430 CB VAL A 90 14.332 0.302 -4.838 1.00 0.00 C ATOM 1431 CG1 VAL A 90 13.088 1.064 -4.410 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.736 -0.714 -3.781 1.00 0.00 C ATOM 0 H VAL A 90 13.052 -1.843 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 90 13.630 0.311 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 90 15.146 1.019 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.270 1.548 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.849 1.820 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.252 0.371 -4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.895 -0.206 -2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.946 -1.456 -3.669 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.658 -1.209 -4.086 1.00 0.00 H new ATOM 1442 N GLU A 91 15.823 -2.073 -6.497 1.00 0.00 N ATOM 1443 CA GLU A 91 17.088 -2.610 -6.986 1.00 0.00 C ATOM 1444 C GLU A 91 16.958 -3.079 -8.432 1.00 0.00 C ATOM 1445 O GLU A 91 17.748 -2.696 -9.294 1.00 0.00 O ATOM 1446 CB GLU A 91 17.551 -3.770 -6.101 1.00 0.00 C ATOM 1447 CG GLU A 91 17.831 -3.365 -4.664 1.00 0.00 C ATOM 1448 CD GLU A 91 19.242 -2.844 -4.469 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.171 -3.671 -4.361 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.416 -1.608 -4.425 1.00 0.00 O ATOM 0 H GLU A 91 15.271 -2.729 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 91 17.831 -1.813 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.788 -4.548 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.454 -4.205 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.119 -2.597 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.671 -4.223 -4.011 1.00 0.00 H new