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 62 LYS NZ :NH3+ 168:sc= -5.21! (180deg=-2.44) USER MOD Set 1.2: A 65 GLN : amide:sc= -5.92! C(o=-11!,f=-16!) USER MOD Set 2.1: A 23 CYS SG : rot 175:sc= -0.695 USER MOD Set 2.2: A 26 CYS SG : rot -66:sc= 0.0934 USER MOD Set 2.3: A 28 SER OG : rot 78:sc= 1.08 USER MOD Set 2.4: A 54 ASN : amide:sc= -4.94! C(o=-12!,f=-16!) USER MOD Set 2.5: A 55 HIS : no HE2:sc= -4.73! C(o=-12!,f=-15!) USER MOD Set 2.6: A 58 CYS SG : rot -77:sc= -1.13 USER MOD Set 2.7: A 61 LYS NZ :NH3+ 134:sc= -1.8! (180deg=-4.92!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -100:sc= -1.51 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.308 USER MOD Single : A 21 SER OG : rot 180:sc= 0 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 0.108 (180deg=0.0822) USER MOD Single : A 31 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.012) USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.176 (180deg=-0.788) USER MOD Single : A 34 ASN : amide:sc= 0.0436 X(o=0.044,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 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 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0805 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.39 K(o=0.39,f=-0.75) USER MOD Single : A 84 GLN : amide:sc= -0.0724 X(o=-0.072,f=0) 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 9:sc= 0.0857 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.412 11.623 3.861 1.00 0.00 N ATOM 84 CA LYS A 9 9.577 10.624 2.812 1.00 0.00 C ATOM 85 C LYS A 9 8.527 10.803 1.720 1.00 0.00 C ATOM 86 O LYS A 9 7.381 11.171 1.982 1.00 0.00 O ATOM 87 CB LYS A 9 9.481 9.215 3.401 1.00 0.00 C ATOM 88 CG LYS A 9 10.817 8.654 3.856 1.00 0.00 C ATOM 89 CD LYS A 9 10.652 7.698 5.025 1.00 0.00 C ATOM 90 CE LYS A 9 11.997 7.280 5.598 1.00 0.00 C ATOM 91 NZ LYS A 9 12.478 8.232 6.637 1.00 0.00 N ATOM 0 HA LYS A 9 10.563 10.759 2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.795 9.230 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.051 8.547 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.296 8.135 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.477 9.472 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.056 8.174 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.104 6.814 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.913 6.283 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.731 7.219 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.397 7.912 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.582 9.179 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.791 8.272 7.416 1.00 0.00 H new ATOM 105 N PRO A 10 8.922 10.535 0.467 1.00 0.00 N ATOM 106 CA PRO A 10 8.029 10.657 -0.689 1.00 0.00 C ATOM 107 C PRO A 10 6.943 9.586 -0.698 1.00 0.00 C ATOM 108 O PRO A 10 5.803 9.849 -1.079 1.00 0.00 O ATOM 109 CB PRO A 10 8.968 10.477 -1.884 1.00 0.00 C ATOM 110 CG PRO A 10 10.106 9.675 -1.354 1.00 0.00 C ATOM 111 CD PRO A 10 10.273 10.091 0.082 1.00 0.00 C ATOM 0 HA PRO A 10 7.492 11.606 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.469 9.962 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.307 11.439 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.900 8.607 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.016 9.865 -1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.616 9.264 0.703 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.004 10.892 0.186 1.00 0.00 H new ATOM 119 N TRP A 11 7.305 8.380 -0.276 1.00 0.00 N ATOM 120 CA TRP A 11 6.361 7.269 -0.235 1.00 0.00 C ATOM 121 C TRP A 11 6.093 6.834 1.201 1.00 0.00 C ATOM 122 O TRP A 11 6.952 6.975 2.072 1.00 0.00 O ATOM 123 CB TRP A 11 6.895 6.089 -1.048 1.00 0.00 C ATOM 124 CG TRP A 11 6.934 6.352 -2.523 1.00 0.00 C ATOM 125 CD1 TRP A 11 7.991 6.831 -3.243 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.867 6.153 -3.457 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.646 6.941 -4.568 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.349 6.531 -4.726 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.553 5.690 -3.346 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.561 6.461 -5.872 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.773 5.622 -4.484 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.279 6.004 -5.734 1.00 0.00 C ATOM 0 H TRP A 11 8.245 8.146 0.043 1.00 0.00 H new ATOM 0 HA TRP A 11 5.422 7.607 -0.673 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.900 5.845 -0.703 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.272 5.215 -0.859 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.956 7.086 -2.831 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.257 7.274 -5.314 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.155 5.391 -2.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.948 6.757 -6.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.755 5.268 -4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.644 5.936 -6.605 1.00 0.00 H new ATOM 143 N ARG A 12 4.898 6.305 1.442 1.00 0.00 N ATOM 144 CA ARG A 12 4.519 5.850 2.774 1.00 0.00 C ATOM 145 C ARG A 12 4.059 4.395 2.741 1.00 0.00 C ATOM 146 O ARG A 12 3.509 3.930 1.744 1.00 0.00 O ATOM 147 CB ARG A 12 3.406 6.735 3.340 1.00 0.00 C ATOM 148 CG ARG A 12 2.023 6.384 2.817 1.00 0.00 C ATOM 149 CD ARG A 12 1.008 7.463 3.160 1.00 0.00 C ATOM 150 NE ARG A 12 0.765 7.549 4.597 1.00 0.00 N ATOM 151 CZ ARG A 12 1.450 8.345 5.412 1.00 0.00 C ATOM 152 NH1 ARG A 12 2.414 9.118 4.932 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.170 8.368 6.709 1.00 0.00 N ATOM 0 H ARG A 12 4.176 6.181 0.732 1.00 0.00 H new ATOM 0 HA ARG A 12 5.395 5.922 3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.406 6.653 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.623 7.776 3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.064 6.252 1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.702 5.433 3.242 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.365 8.426 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.070 7.255 2.646 1.00 0.00 H new ATOM 0 HE ARG A 12 0.030 6.967 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.631 9.103 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.938 9.728 5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.429 7.775 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.696 8.979 7.334 1.00 0.00 H new ATOM 167 N ALA A 13 4.290 3.682 3.839 1.00 0.00 N ATOM 168 CA ALA A 13 3.899 2.282 3.937 1.00 0.00 C ATOM 169 C ALA A 13 3.175 2.004 5.250 1.00 0.00 C ATOM 170 O ALA A 13 3.700 2.281 6.328 1.00 0.00 O ATOM 171 CB ALA A 13 5.119 1.382 3.804 1.00 0.00 C ATOM 0 H ALA A 13 4.746 4.052 4.673 1.00 0.00 H new ATOM 0 HA ALA A 13 3.211 2.065 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.812 0.339 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.593 1.552 2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.828 1.610 4.600 1.00 0.00 H new ATOM 177 N GLU A 14 1.968 1.456 5.151 1.00 0.00 N ATOM 178 CA GLU A 14 1.173 1.143 6.332 1.00 0.00 C ATOM 179 C GLU A 14 -0.105 0.403 5.947 1.00 0.00 C ATOM 180 O GLU A 14 -0.679 0.645 4.885 1.00 0.00 O ATOM 181 CB GLU A 14 0.825 2.423 7.094 1.00 0.00 C ATOM 182 CG GLU A 14 -0.001 3.408 6.284 1.00 0.00 C ATOM 183 CD GLU A 14 -0.135 4.756 6.965 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.901 5.420 7.178 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.277 5.147 7.286 1.00 0.00 O ATOM 0 H GLU A 14 1.520 1.220 4.266 1.00 0.00 H new ATOM 0 HA GLU A 14 1.767 0.495 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.277 2.160 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.748 2.910 7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.459 3.544 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.994 2.991 6.114 1.00 0.00 H new ATOM 192 N TYR A 15 -0.545 -0.498 6.818 1.00 0.00 N ATOM 193 CA TYR A 15 -1.754 -1.275 6.569 1.00 0.00 C ATOM 194 C TYR A 15 -3.001 -0.413 6.740 1.00 0.00 C ATOM 195 O TYR A 15 -3.219 0.180 7.796 1.00 0.00 O ATOM 196 CB TYR A 15 -1.817 -2.476 7.514 1.00 0.00 C ATOM 197 CG TYR A 15 -0.824 -3.566 7.175 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.145 -3.370 6.199 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.856 -4.790 7.831 1.00 0.00 C ATOM 200 CE1 TYR A 15 1.053 -4.363 5.886 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.049 -5.788 7.525 1.00 0.00 C ATOM 202 CZ TYR A 15 1.001 -5.570 6.552 1.00 0.00 C ATOM 203 OH TYR A 15 1.904 -6.562 6.244 1.00 0.00 O ATOM 0 H TYR A 15 -0.083 -0.709 7.703 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.720 -1.632 5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.636 -2.135 8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.824 -2.893 7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.189 -2.426 5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.601 -4.964 8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.800 -4.195 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.011 -6.734 8.045 1.00 0.00 H new ATOM 0 HH TYR A 15 1.481 -7.217 5.651 1.00 0.00 H new ATOM 213 N ALA A 16 -3.816 -0.349 5.693 1.00 0.00 N ATOM 214 CA ALA A 16 -5.043 0.437 5.727 1.00 0.00 C ATOM 215 C ALA A 16 -5.943 0.002 6.878 1.00 0.00 C ATOM 216 O ALA A 16 -6.295 -1.172 6.995 1.00 0.00 O ATOM 217 CB ALA A 16 -5.783 0.318 4.402 1.00 0.00 C ATOM 0 H ALA A 16 -3.649 -0.832 4.810 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.772 1.480 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.697 0.910 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.148 0.685 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.035 -0.727 4.218 1.00 0.00 H new ATOM 223 N LYS A 17 -6.312 0.954 7.728 1.00 0.00 N ATOM 224 CA LYS A 17 -7.171 0.670 8.871 1.00 0.00 C ATOM 225 C LYS A 17 -8.638 0.898 8.519 1.00 0.00 C ATOM 226 O LYS A 17 -9.458 1.182 9.391 1.00 0.00 O ATOM 227 CB LYS A 17 -6.778 1.549 10.061 1.00 0.00 C ATOM 228 CG LYS A 17 -5.480 1.126 10.727 1.00 0.00 C ATOM 229 CD LYS A 17 -5.228 1.911 12.003 1.00 0.00 C ATOM 230 CE LYS A 17 -4.702 3.307 11.705 1.00 0.00 C ATOM 231 NZ LYS A 17 -4.728 4.179 12.911 1.00 0.00 N ATOM 0 H LYS A 17 -6.029 1.931 7.647 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.039 -0.378 9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.684 2.581 9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.580 1.526 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.517 0.061 10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.650 1.275 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.153 1.984 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.510 1.376 12.625 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.681 3.238 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.302 3.760 10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.362 5.121 12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.705 4.266 13.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.135 3.760 13.655 1.00 0.00 H new ATOM 245 N SER A 18 -8.960 0.771 7.236 1.00 0.00 N ATOM 246 CA SER A 18 -10.328 0.966 6.769 1.00 0.00 C ATOM 247 C SER A 18 -10.451 0.616 5.289 1.00 0.00 C ATOM 248 O SER A 18 -9.463 0.291 4.632 1.00 0.00 O ATOM 249 CB SER A 18 -10.768 2.413 7.001 1.00 0.00 C ATOM 250 OG SER A 18 -10.111 3.295 6.107 1.00 0.00 O ATOM 0 H SER A 18 -8.293 0.534 6.502 1.00 0.00 H new ATOM 0 HA SER A 18 -10.978 0.301 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.847 2.494 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.550 2.703 8.029 1.00 0.00 H new ATOM 0 HG SER A 18 -10.410 4.213 6.274 1.00 0.00 H new ATOM 256 N SER A 19 -11.674 0.685 4.771 1.00 0.00 N ATOM 257 CA SER A 19 -11.929 0.372 3.370 1.00 0.00 C ATOM 258 C SER A 19 -12.676 1.513 2.686 1.00 0.00 C ATOM 259 O SER A 19 -13.464 1.291 1.767 1.00 0.00 O ATOM 260 CB SER A 19 -12.736 -0.923 3.253 1.00 0.00 C ATOM 261 OG SER A 19 -12.236 -1.916 4.132 1.00 0.00 O ATOM 0 H SER A 19 -12.503 0.955 5.301 1.00 0.00 H new ATOM 0 HA SER A 19 -10.968 0.239 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.783 -0.725 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.697 -1.288 2.227 1.00 0.00 H new ATOM 0 HG SER A 19 -12.769 -2.733 4.040 1.00 0.00 H new ATOM 267 N ARG A 20 -12.421 2.735 3.141 1.00 0.00 N ATOM 268 CA ARG A 20 -13.069 3.912 2.575 1.00 0.00 C ATOM 269 C ARG A 20 -12.257 4.474 1.412 1.00 0.00 C ATOM 270 O ARG A 20 -12.815 4.972 0.435 1.00 0.00 O ATOM 271 CB ARG A 20 -13.253 4.986 3.649 1.00 0.00 C ATOM 272 CG ARG A 20 -14.431 4.727 4.574 1.00 0.00 C ATOM 273 CD ARG A 20 -15.746 5.135 3.928 1.00 0.00 C ATOM 274 NE ARG A 20 -15.984 6.572 4.029 1.00 0.00 N ATOM 275 CZ ARG A 20 -16.896 7.219 3.312 1.00 0.00 C ATOM 276 NH1 ARG A 20 -17.652 6.559 2.446 1.00 0.00 N ATOM 277 NH2 ARG A 20 -17.053 8.528 3.461 1.00 0.00 N ATOM 0 H ARG A 20 -11.770 2.936 3.900 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.047 3.611 2.200 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.342 5.052 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.388 5.953 3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.465 3.669 4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.294 5.280 5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.740 4.842 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.566 4.598 4.405 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.419 7.109 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.534 5.553 2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.352 7.058 1.896 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.473 9.039 4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.754 9.024 2.910 1.00 0.00 H new ATOM 291 N SER A 21 -10.935 4.390 1.525 1.00 0.00 N ATOM 292 CA SER A 21 -10.045 4.894 0.486 1.00 0.00 C ATOM 293 C SER A 21 -10.102 4.007 -0.754 1.00 0.00 C ATOM 294 O SER A 21 -10.335 2.802 -0.659 1.00 0.00 O ATOM 295 CB SER A 21 -8.609 4.970 1.007 1.00 0.00 C ATOM 296 OG SER A 21 -8.500 5.903 2.069 1.00 0.00 O ATOM 0 H SER A 21 -10.457 3.977 2.326 1.00 0.00 H new ATOM 0 HA SER A 21 -10.377 5.895 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.291 3.985 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.939 5.257 0.196 1.00 0.00 H new ATOM 0 HG SER A 21 -7.573 5.932 2.385 1.00 0.00 H new ATOM 302 N SER A 22 -9.887 4.613 -1.918 1.00 0.00 N ATOM 303 CA SER A 22 -9.917 3.880 -3.178 1.00 0.00 C ATOM 304 C SER A 22 -8.679 4.188 -4.015 1.00 0.00 C ATOM 305 O SER A 22 -8.329 5.350 -4.223 1.00 0.00 O ATOM 306 CB SER A 22 -11.179 4.232 -3.967 1.00 0.00 C ATOM 307 OG SER A 22 -12.345 3.976 -3.203 1.00 0.00 O ATOM 0 H SER A 22 -9.690 5.609 -2.014 1.00 0.00 H new ATOM 0 HA SER A 22 -9.925 2.814 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.151 5.283 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.209 3.651 -4.889 1.00 0.00 H new ATOM 0 HG SER A 22 -13.138 4.211 -3.728 1.00 0.00 H new ATOM 313 N CYS A 23 -8.019 3.138 -4.493 1.00 0.00 N ATOM 314 CA CYS A 23 -6.819 3.293 -5.306 1.00 0.00 C ATOM 315 C CYS A 23 -7.062 4.271 -6.452 1.00 0.00 C ATOM 316 O CYS A 23 -8.204 4.517 -6.842 1.00 0.00 O ATOM 317 CB CYS A 23 -6.376 1.938 -5.862 1.00 0.00 C ATOM 318 SG CYS A 23 -4.863 2.009 -6.873 1.00 0.00 S ATOM 0 H CYS A 23 -8.296 2.170 -4.331 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.029 3.693 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.213 1.252 -5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.184 1.523 -6.465 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.508 0.804 -7.208 1.00 0.00 H new ATOM 323 N LYS A 24 -5.981 4.826 -6.989 1.00 0.00 N ATOM 324 CA LYS A 24 -6.074 5.775 -8.091 1.00 0.00 C ATOM 325 C LYS A 24 -5.590 5.146 -9.394 1.00 0.00 C ATOM 326 O LYS A 24 -6.054 5.501 -10.478 1.00 0.00 O ATOM 327 CB LYS A 24 -5.253 7.029 -7.782 1.00 0.00 C ATOM 328 CG LYS A 24 -5.661 7.721 -6.493 1.00 0.00 C ATOM 329 CD LYS A 24 -6.739 8.764 -6.736 1.00 0.00 C ATOM 330 CE LYS A 24 -6.145 10.078 -7.219 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.190 11.000 -7.744 1.00 0.00 N ATOM 0 H LYS A 24 -5.029 4.634 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.121 6.054 -8.210 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.199 6.757 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.353 7.732 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.024 6.980 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.789 8.196 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.448 8.391 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.298 8.933 -5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.615 10.560 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.411 9.879 -8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.745 11.884 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.679 10.550 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.877 11.210 -6.992 1.00 0.00 H new ATOM 345 N THR A 25 -4.654 4.209 -9.281 1.00 0.00 N ATOM 346 CA THR A 25 -4.107 3.530 -10.449 1.00 0.00 C ATOM 347 C THR A 25 -5.147 2.619 -11.092 1.00 0.00 C ATOM 348 O THR A 25 -5.357 2.658 -12.305 1.00 0.00 O ATOM 349 CB THR A 25 -2.865 2.695 -10.084 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.740 3.556 -9.877 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.547 1.690 -11.181 1.00 0.00 C ATOM 0 H THR A 25 -4.259 3.903 -8.392 1.00 0.00 H new ATOM 0 HA THR A 25 -3.818 4.305 -11.159 1.00 0.00 H new ATOM 0 HB THR A 25 -3.078 2.149 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.955 3.018 -9.644 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.666 1.112 -10.901 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.394 1.018 -11.315 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.352 2.219 -12.114 1.00 0.00 H new ATOM 359 N CYS A 26 -5.796 1.799 -10.272 1.00 0.00 N ATOM 360 CA CYS A 26 -6.815 0.877 -10.761 1.00 0.00 C ATOM 361 C CYS A 26 -8.215 1.423 -10.494 1.00 0.00 C ATOM 362 O CYS A 26 -9.190 0.988 -11.107 1.00 0.00 O ATOM 363 CB CYS A 26 -6.654 -0.492 -10.097 1.00 0.00 C ATOM 364 SG CYS A 26 -7.117 -0.522 -8.335 1.00 0.00 S ATOM 0 H CYS A 26 -5.635 1.754 -9.266 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.686 0.769 -11.838 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.263 -1.219 -10.634 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.617 -0.812 -10.195 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.295 0.223 -7.657 1.00 0.00 H new ATOM 369 N LYS A 27 -8.306 2.379 -9.576 1.00 0.00 N ATOM 370 CA LYS A 27 -9.585 2.987 -9.228 1.00 0.00 C ATOM 371 C LYS A 27 -10.481 1.990 -8.500 1.00 0.00 C ATOM 372 O LYS A 27 -11.671 1.880 -8.794 1.00 0.00 O ATOM 373 CB LYS A 27 -10.290 3.497 -10.487 1.00 0.00 C ATOM 374 CG LYS A 27 -9.395 4.326 -11.392 1.00 0.00 C ATOM 375 CD LYS A 27 -9.051 5.665 -10.762 1.00 0.00 C ATOM 376 CE LYS A 27 -8.438 6.618 -11.776 1.00 0.00 C ATOM 377 NZ LYS A 27 -7.829 7.808 -11.122 1.00 0.00 N ATOM 0 H LYS A 27 -7.509 2.750 -9.059 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.390 3.828 -8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.672 2.645 -11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.151 4.097 -10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.478 3.775 -11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.894 4.490 -12.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.951 6.111 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.354 5.512 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.678 6.093 -12.354 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.205 6.943 -12.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.590 8.517 -11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.505 8.217 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.965 7.523 -10.618 1.00 0.00 H new ATOM 391 N SER A 28 -9.901 1.268 -7.546 1.00 0.00 N ATOM 392 CA SER A 28 -10.647 0.278 -6.777 1.00 0.00 C ATOM 393 C SER A 28 -10.586 0.592 -5.285 1.00 0.00 C ATOM 394 O SER A 28 -9.898 1.521 -4.862 1.00 0.00 O ATOM 395 CB SER A 28 -10.094 -1.124 -7.038 1.00 0.00 C ATOM 396 OG SER A 28 -9.850 -1.328 -8.419 1.00 0.00 O ATOM 0 H SER A 28 -8.918 1.350 -7.287 1.00 0.00 H new ATOM 0 HA SER A 28 -11.689 0.315 -7.096 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.169 -1.264 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.801 -1.870 -6.677 1.00 0.00 H new ATOM 0 HG SER A 28 -9.015 -0.882 -8.673 1.00 0.00 H new ATOM 402 N VAL A 29 -11.313 -0.189 -4.492 1.00 0.00 N ATOM 403 CA VAL A 29 -11.342 0.003 -3.048 1.00 0.00 C ATOM 404 C VAL A 29 -10.200 -0.746 -2.370 1.00 0.00 C ATOM 405 O VAL A 29 -9.855 -1.860 -2.765 1.00 0.00 O ATOM 406 CB VAL A 29 -12.679 -0.468 -2.445 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.477 -0.972 -1.024 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.704 0.655 -2.481 1.00 0.00 C ATOM 0 H VAL A 29 -11.890 -0.961 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.228 1.072 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.058 -1.294 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.433 -1.300 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.778 -1.809 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.075 -0.169 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.643 0.305 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.335 1.503 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.870 0.963 -3.513 1.00 0.00 H new ATOM 418 N ILE A 30 -9.618 -0.128 -1.348 1.00 0.00 N ATOM 419 CA ILE A 30 -8.515 -0.737 -0.615 1.00 0.00 C ATOM 420 C ILE A 30 -8.970 -1.222 0.758 1.00 0.00 C ATOM 421 O ILE A 30 -8.900 -0.487 1.741 1.00 0.00 O ATOM 422 CB ILE A 30 -7.345 0.247 -0.437 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.834 0.717 -1.801 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.223 -0.401 0.360 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.116 2.048 -1.751 1.00 0.00 C ATOM 0 H ILE A 30 -9.892 0.794 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.176 -1.588 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.702 1.116 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.158 -0.036 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.676 0.793 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.403 0.308 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.595 -0.691 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.865 -1.285 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.781 2.319 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.795 2.814 -1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.254 1.972 -1.089 1.00 0.00 H new ATOM 437 N ASN A 31 -9.435 -2.466 0.816 1.00 0.00 N ATOM 438 CA ASN A 31 -9.900 -3.050 2.069 1.00 0.00 C ATOM 439 C ASN A 31 -8.815 -2.977 3.139 1.00 0.00 C ATOM 440 O ASN A 31 -7.634 -3.182 2.857 1.00 0.00 O ATOM 441 CB ASN A 31 -10.320 -4.505 1.852 1.00 0.00 C ATOM 442 CG ASN A 31 -11.429 -4.640 0.826 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.610 -4.525 1.153 1.00 0.00 O ATOM 444 ND2 ASN A 31 -11.052 -4.886 -0.424 1.00 0.00 N ATOM 0 H ASN A 31 -9.500 -3.089 0.011 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.762 -2.477 2.411 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.456 -5.085 1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.652 -4.930 2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.753 -4.987 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.061 -4.974 -0.650 1.00 0.00 H new ATOM 451 N LYS A 32 -9.224 -2.683 4.369 1.00 0.00 N ATOM 452 CA LYS A 32 -8.289 -2.584 5.483 1.00 0.00 C ATOM 453 C LYS A 32 -7.508 -3.883 5.656 1.00 0.00 C ATOM 454 O LYS A 32 -7.896 -4.925 5.128 1.00 0.00 O ATOM 455 CB LYS A 32 -9.037 -2.251 6.776 1.00 0.00 C ATOM 456 CG LYS A 32 -9.669 -3.461 7.442 1.00 0.00 C ATOM 457 CD LYS A 32 -11.010 -3.116 8.068 1.00 0.00 C ATOM 458 CE LYS A 32 -10.839 -2.502 9.449 1.00 0.00 C ATOM 459 NZ LYS A 32 -10.167 -3.437 10.392 1.00 0.00 N ATOM 0 H LYS A 32 -10.197 -2.509 4.619 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.584 -1.783 5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.345 -1.782 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.815 -1.519 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.803 -4.254 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.997 -3.848 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.545 -2.420 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.621 -4.016 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.255 -1.585 9.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.815 -2.225 9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.433 -3.196 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.462 -4.412 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.136 -3.357 10.284 1.00 0.00 H new ATOM 473 N GLU A 33 -6.408 -3.814 6.399 1.00 0.00 N ATOM 474 CA GLU A 33 -5.575 -4.986 6.641 1.00 0.00 C ATOM 475 C GLU A 33 -4.789 -5.362 5.389 1.00 0.00 C ATOM 476 O GLU A 33 -4.402 -6.516 5.210 1.00 0.00 O ATOM 477 CB GLU A 33 -6.437 -6.168 7.090 1.00 0.00 C ATOM 478 CG GLU A 33 -7.556 -5.778 8.041 1.00 0.00 C ATOM 479 CD GLU A 33 -7.878 -6.871 9.042 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.791 -8.060 8.671 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.217 -6.536 10.196 1.00 0.00 O ATOM 0 H GLU A 33 -6.073 -2.959 6.844 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.868 -4.740 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.869 -6.647 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.800 -6.908 7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.273 -4.872 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.451 -5.542 7.466 1.00 0.00 H new ATOM 488 N ASN A 34 -4.558 -4.379 4.524 1.00 0.00 N ATOM 489 CA ASN A 34 -3.819 -4.606 3.288 1.00 0.00 C ATOM 490 C ASN A 34 -2.647 -3.637 3.168 1.00 0.00 C ATOM 491 O ASN A 34 -2.683 -2.532 3.711 1.00 0.00 O ATOM 492 CB ASN A 34 -4.746 -4.455 2.080 1.00 0.00 C ATOM 493 CG ASN A 34 -5.424 -5.758 1.704 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.918 -6.517 0.878 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.575 -6.023 2.312 1.00 0.00 N ATOM 0 H ASN A 34 -4.872 -3.418 4.657 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.426 -5.622 3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.505 -3.704 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.172 -4.089 1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.077 -6.885 2.100 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.957 -5.364 2.990 1.00 0.00 H new ATOM 502 N PHE A 35 -1.609 -4.058 2.453 1.00 0.00 N ATOM 503 CA PHE A 35 -0.425 -3.227 2.262 1.00 0.00 C ATOM 504 C PHE A 35 -0.584 -2.327 1.041 1.00 0.00 C ATOM 505 O PHE A 35 -0.661 -2.805 -0.091 1.00 0.00 O ATOM 506 CB PHE A 35 0.819 -4.104 2.105 1.00 0.00 C ATOM 507 CG PHE A 35 1.973 -3.396 1.456 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.133 -2.027 1.600 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.898 -4.099 0.700 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.195 -1.372 1.004 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.962 -3.449 0.102 1.00 0.00 C ATOM 512 CZ PHE A 35 4.109 -2.084 0.253 1.00 0.00 C ATOM 0 H PHE A 35 -1.563 -4.969 1.996 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.308 -2.596 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.128 -4.461 3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.562 -4.982 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.420 -1.465 2.185 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.786 -5.166 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.309 -0.305 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.677 -4.008 -0.483 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.938 -1.574 -0.216 1.00 0.00 H new ATOM 522 N ARG A 36 -0.633 -1.020 1.279 1.00 0.00 N ATOM 523 CA ARG A 36 -0.785 -0.052 0.200 1.00 0.00 C ATOM 524 C ARG A 36 0.383 0.929 0.181 1.00 0.00 C ATOM 525 O ARG A 36 1.273 0.868 1.031 1.00 0.00 O ATOM 526 CB ARG A 36 -2.103 0.711 0.351 1.00 0.00 C ATOM 527 CG ARG A 36 -2.278 1.358 1.715 1.00 0.00 C ATOM 528 CD ARG A 36 -3.486 2.281 1.742 1.00 0.00 C ATOM 529 NE ARG A 36 -3.602 2.995 3.011 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.700 3.634 3.397 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.772 3.649 2.617 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.728 4.260 4.567 1.00 0.00 N ATOM 0 H ARG A 36 -0.570 -0.608 2.210 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.795 -0.597 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.157 1.482 -0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.932 0.026 0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.393 0.584 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.381 1.923 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.410 3.001 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.391 1.698 1.570 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.795 3.003 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.755 3.169 1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.614 4.141 2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.906 4.250 5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.572 4.751 4.863 1.00 0.00 H new ATOM 546 N LEU A 37 0.375 1.833 -0.792 1.00 0.00 N ATOM 547 CA LEU A 37 1.434 2.827 -0.922 1.00 0.00 C ATOM 548 C LEU A 37 0.852 4.212 -1.187 1.00 0.00 C ATOM 549 O LEU A 37 -0.046 4.371 -2.012 1.00 0.00 O ATOM 550 CB LEU A 37 2.390 2.439 -2.052 1.00 0.00 C ATOM 551 CG LEU A 37 3.323 1.262 -1.767 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.204 0.975 -2.973 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.174 1.542 -0.537 1.00 0.00 C ATOM 0 H LEU A 37 -0.354 1.898 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 37 1.985 2.858 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.798 2.202 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.999 3.308 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 37 2.714 0.380 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.861 0.134 -2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.578 0.730 -3.831 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.805 1.855 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.832 0.694 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.774 2.436 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.526 1.697 0.326 1.00 0.00 H new ATOM 565 N GLY A 38 1.371 5.212 -0.481 1.00 0.00 N ATOM 566 CA GLY A 38 0.892 6.571 -0.656 1.00 0.00 C ATOM 567 C GLY A 38 1.984 7.516 -1.115 1.00 0.00 C ATOM 568 O GLY A 38 2.921 7.804 -0.369 1.00 0.00 O ATOM 0 H GLY A 38 2.115 5.105 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.081 6.576 -1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.477 6.931 0.285 1.00 0.00 H new ATOM 572 N LYS A 39 1.866 8.000 -2.347 1.00 0.00 N ATOM 573 CA LYS A 39 2.851 8.918 -2.906 1.00 0.00 C ATOM 574 C LYS A 39 2.591 10.347 -2.438 1.00 0.00 C ATOM 575 O LYS A 39 1.722 11.037 -2.971 1.00 0.00 O ATOM 576 CB LYS A 39 2.823 8.859 -4.435 1.00 0.00 C ATOM 577 CG LYS A 39 3.912 9.686 -5.096 1.00 0.00 C ATOM 578 CD LYS A 39 4.160 9.241 -6.527 1.00 0.00 C ATOM 579 CE LYS A 39 5.576 9.568 -6.975 1.00 0.00 C ATOM 580 NZ LYS A 39 5.651 9.811 -8.443 1.00 0.00 N ATOM 0 H LYS A 39 1.097 7.771 -2.977 1.00 0.00 H new ATOM 0 HA LYS A 39 3.836 8.612 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.924 7.821 -4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.851 9.206 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.628 10.738 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.835 9.599 -4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.990 8.168 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.446 9.729 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.931 10.450 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.240 8.746 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.632 10.031 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.336 8.960 -8.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.037 10.612 -8.694 1.00 0.00 H new ATOM 594 N LEU A 40 3.349 10.784 -1.438 1.00 0.00 N ATOM 595 CA LEU A 40 3.201 12.131 -0.899 1.00 0.00 C ATOM 596 C LEU A 40 3.789 13.167 -1.852 1.00 0.00 C ATOM 597 O LEU A 40 4.972 13.115 -2.190 1.00 0.00 O ATOM 598 CB LEU A 40 3.884 12.233 0.466 1.00 0.00 C ATOM 599 CG LEU A 40 3.512 11.154 1.484 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.340 11.307 2.751 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.026 11.215 1.807 1.00 0.00 C ATOM 0 H LEU A 40 4.072 10.225 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 40 2.136 12.334 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.963 12.204 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.649 13.207 0.896 1.00 0.00 H new ATOM 0 HG LEU A 40 3.730 10.179 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.061 10.531 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.398 11.213 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.154 12.287 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.779 10.440 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.784 12.193 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.449 11.056 0.896 1.00 0.00 H new ATOM 613 N VAL A 41 2.955 14.109 -2.281 1.00 0.00 N ATOM 614 CA VAL A 41 3.393 15.159 -3.193 1.00 0.00 C ATOM 615 C VAL A 41 3.132 16.541 -2.604 1.00 0.00 C ATOM 616 O VAL A 41 1.983 16.961 -2.467 1.00 0.00 O ATOM 617 CB VAL A 41 2.683 15.051 -4.556 1.00 0.00 C ATOM 618 CG1 VAL A 41 3.084 13.767 -5.266 1.00 0.00 C ATOM 619 CG2 VAL A 41 1.174 15.124 -4.377 1.00 0.00 C ATOM 0 H VAL A 41 1.973 14.167 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 41 4.465 15.025 -3.339 1.00 0.00 H new ATOM 0 HB VAL A 41 2.993 15.892 -5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.573 13.708 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.162 13.762 -5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.805 12.910 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.688 15.046 -5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.843 14.304 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.908 16.074 -3.914 1.00 0.00 H new ATOM 777 N MET A 52 -1.449 10.134 -2.436 1.00 0.00 N ATOM 778 CA MET A 52 -1.970 9.308 -3.519 1.00 0.00 C ATOM 779 C MET A 52 -2.034 7.842 -3.102 1.00 0.00 C ATOM 780 O MET A 52 -1.041 7.120 -3.184 1.00 0.00 O ATOM 781 CB MET A 52 -1.099 9.458 -4.768 1.00 0.00 C ATOM 782 CG MET A 52 -0.933 10.898 -5.224 1.00 0.00 C ATOM 783 SD MET A 52 -2.200 11.402 -6.404 1.00 0.00 S ATOM 784 CE MET A 52 -1.236 11.513 -7.910 1.00 0.00 C ATOM 0 HA MET A 52 -2.981 9.647 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.115 9.033 -4.568 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.538 8.877 -5.579 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.968 11.556 -4.356 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.050 11.020 -5.678 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.882 11.816 -8.734 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.443 12.250 -7.781 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.796 10.541 -8.133 1.00 0.00 H new ATOM 794 N TRP A 53 -3.207 7.410 -2.654 1.00 0.00 N ATOM 795 CA TRP A 53 -3.400 6.030 -2.224 1.00 0.00 C ATOM 796 C TRP A 53 -3.440 5.087 -3.421 1.00 0.00 C ATOM 797 O TRP A 53 -4.248 5.261 -4.332 1.00 0.00 O ATOM 798 CB TRP A 53 -4.692 5.902 -1.415 1.00 0.00 C ATOM 799 CG TRP A 53 -4.597 6.504 -0.045 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.445 7.420 0.508 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.597 6.232 0.943 1.00 0.00 C ATOM 802 NE1 TRP A 53 -5.032 7.735 1.780 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.901 7.019 2.071 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.475 5.400 0.985 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.123 6.997 3.226 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.704 5.379 2.132 1.00 0.00 C ATOM 807 CH2 TRP A 53 -2.031 6.172 3.239 1.00 0.00 C ATOM 0 H TRP A 53 -4.039 7.995 -2.579 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.556 5.751 -1.594 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.503 6.384 -1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.952 4.847 -1.324 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.313 7.836 0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.493 8.395 2.406 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.215 4.784 0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.372 7.609 4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.834 4.740 2.175 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.409 6.132 4.121 1.00 0.00 H new ATOM 818 N ASN A 54 -2.563 4.089 -3.412 1.00 0.00 N ATOM 819 CA ASN A 54 -2.498 3.118 -4.499 1.00 0.00 C ATOM 820 C ASN A 54 -1.981 1.773 -3.997 1.00 0.00 C ATOM 821 O ASN A 54 -0.984 1.741 -3.277 1.00 0.00 O ATOM 822 CB ASN A 54 -1.597 3.637 -5.621 1.00 0.00 C ATOM 823 CG ASN A 54 -1.857 5.096 -5.943 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.849 5.433 -6.590 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.964 5.969 -5.492 1.00 0.00 N ATOM 0 H ASN A 54 -1.887 3.931 -2.664 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.506 2.977 -4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.553 3.512 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.754 3.036 -6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.085 6.965 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.157 5.644 -4.960 1.00 0.00 H new ATOM 832 N HIS A 55 -2.662 0.704 -4.384 1.00 0.00 N ATOM 833 CA HIS A 55 -2.261 -0.629 -3.968 1.00 0.00 C ATOM 834 C HIS A 55 -0.755 -0.801 -4.176 1.00 0.00 C ATOM 835 O HIS A 55 -0.182 -0.372 -5.177 1.00 0.00 O ATOM 836 CB HIS A 55 -3.085 -1.695 -4.693 1.00 0.00 C ATOM 837 CG HIS A 55 -4.567 -1.625 -4.408 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.475 -1.074 -5.294 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.287 -2.044 -3.328 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.685 -1.161 -4.761 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.566 -1.762 -3.542 1.00 0.00 N ATOM 0 H HIS A 55 -3.489 0.734 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.462 -0.758 -2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.927 -1.594 -5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.717 -2.680 -4.408 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.251 -0.669 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.885 -2.524 -2.448 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.604 -0.817 -5.212 1.00 0.00 H new ATOM 849 N ALA A 56 -0.123 -1.443 -3.199 1.00 0.00 N ATOM 850 CA ALA A 56 1.313 -1.688 -3.250 1.00 0.00 C ATOM 851 C ALA A 56 1.696 -2.440 -4.520 1.00 0.00 C ATOM 852 O ALA A 56 2.856 -2.428 -4.933 1.00 0.00 O ATOM 853 CB ALA A 56 1.760 -2.463 -2.019 1.00 0.00 C ATOM 0 H ALA A 56 -0.583 -1.803 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 56 1.822 -0.724 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.834 -2.639 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.529 -1.887 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.237 -3.419 -1.981 1.00 0.00 H new ATOM 859 N SER A 57 0.716 -3.095 -5.133 1.00 0.00 N ATOM 860 CA SER A 57 0.952 -3.857 -6.354 1.00 0.00 C ATOM 861 C SER A 57 0.634 -3.019 -7.588 1.00 0.00 C ATOM 862 O SER A 57 1.083 -3.324 -8.693 1.00 0.00 O ATOM 863 CB SER A 57 0.105 -5.131 -6.357 1.00 0.00 C ATOM 864 OG SER A 57 0.150 -5.770 -7.621 1.00 0.00 O ATOM 0 H SER A 57 -0.249 -3.114 -4.804 1.00 0.00 H new ATOM 0 HA SER A 57 2.007 -4.130 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.466 -5.814 -5.588 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.927 -4.886 -6.106 1.00 0.00 H new ATOM 0 HG SER A 57 -0.398 -6.582 -7.597 1.00 0.00 H new ATOM 870 N CYS A 58 -0.144 -1.959 -7.392 1.00 0.00 N ATOM 871 CA CYS A 58 -0.524 -1.075 -8.487 1.00 0.00 C ATOM 872 C CYS A 58 0.612 -0.116 -8.831 1.00 0.00 C ATOM 873 O CYS A 58 0.720 0.353 -9.964 1.00 0.00 O ATOM 874 CB CYS A 58 -1.780 -0.284 -8.118 1.00 0.00 C ATOM 875 SG CYS A 58 -3.331 -1.221 -8.306 1.00 0.00 S ATOM 0 H CYS A 58 -0.524 -1.692 -6.484 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.734 -1.690 -9.362 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.694 0.052 -7.085 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.830 0.609 -8.741 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.651 -1.282 -9.564 1.00 0.00 H new ATOM 880 N ILE A 59 1.456 0.170 -7.845 1.00 0.00 N ATOM 881 CA ILE A 59 2.585 1.071 -8.044 1.00 0.00 C ATOM 882 C ILE A 59 3.828 0.307 -8.485 1.00 0.00 C ATOM 883 O ILE A 59 4.473 0.665 -9.471 1.00 0.00 O ATOM 884 CB ILE A 59 2.908 1.859 -6.761 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.685 2.655 -6.303 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.093 2.785 -6.993 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.347 3.819 -7.208 1.00 0.00 C ATOM 0 H ILE A 59 1.380 -0.209 -6.901 1.00 0.00 H new ATOM 0 HA ILE A 59 2.296 1.771 -8.828 1.00 0.00 H new ATOM 0 HB ILE A 59 3.172 1.152 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.826 1.986 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.862 3.029 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.309 3.335 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.965 2.196 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.855 3.488 -7.791 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.469 4.337 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.190 4.509 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.138 3.450 -8.212 1.00 0.00 H new ATOM 899 N LEU A 60 4.158 -0.749 -7.750 1.00 0.00 N ATOM 900 CA LEU A 60 5.324 -1.567 -8.066 1.00 0.00 C ATOM 901 C LEU A 60 5.305 -1.999 -9.529 1.00 0.00 C ATOM 902 O LEU A 60 6.354 -2.147 -10.158 1.00 0.00 O ATOM 903 CB LEU A 60 5.369 -2.799 -7.160 1.00 0.00 C ATOM 904 CG LEU A 60 5.636 -2.532 -5.678 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.456 -3.804 -4.865 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.034 -1.965 -5.482 1.00 0.00 C ATOM 0 H LEU A 60 3.635 -1.059 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 60 6.216 -0.965 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.419 -3.325 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.142 -3.471 -7.533 1.00 0.00 H new ATOM 0 HG LEU A 60 4.914 -1.795 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.650 -3.594 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.435 -4.168 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.154 -4.563 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.207 -1.781 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.771 -2.678 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.127 -1.029 -6.032 1.00 0.00 H new ATOM 918 N LYS A 61 4.107 -2.199 -10.067 1.00 0.00 N ATOM 919 CA LYS A 61 3.950 -2.611 -11.457 1.00 0.00 C ATOM 920 C LYS A 61 4.404 -1.506 -12.406 1.00 0.00 C ATOM 921 O LYS A 61 4.808 -1.773 -13.538 1.00 0.00 O ATOM 922 CB LYS A 61 2.491 -2.974 -11.741 1.00 0.00 C ATOM 923 CG LYS A 61 1.552 -1.780 -11.722 1.00 0.00 C ATOM 924 CD LYS A 61 0.396 -1.965 -12.691 1.00 0.00 C ATOM 925 CE LYS A 61 -0.772 -1.053 -12.346 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.733 -1.710 -11.417 1.00 0.00 N ATOM 0 H LYS A 61 3.229 -2.082 -9.561 1.00 0.00 H new ATOM 0 HA LYS A 61 4.575 -3.488 -11.623 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.429 -3.459 -12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.156 -3.701 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.164 -1.637 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.105 -0.877 -11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.734 -1.757 -13.706 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.066 -3.004 -12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.395 -0.137 -11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.290 -0.765 -13.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.984 -1.050 -10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.592 -1.979 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.295 -2.561 -11.009 1.00 0.00 H new ATOM 940 N LYS A 62 4.337 -0.265 -11.937 1.00 0.00 N ATOM 941 CA LYS A 62 4.744 0.881 -12.742 1.00 0.00 C ATOM 942 C LYS A 62 6.260 1.049 -12.722 1.00 0.00 C ATOM 943 O LYS A 62 6.978 0.234 -12.142 1.00 0.00 O ATOM 944 CB LYS A 62 4.072 2.156 -12.227 1.00 0.00 C ATOM 945 CG LYS A 62 2.556 2.118 -12.304 1.00 0.00 C ATOM 946 CD LYS A 62 1.954 3.504 -12.138 1.00 0.00 C ATOM 947 CE LYS A 62 1.679 3.821 -10.677 1.00 0.00 C ATOM 948 NZ LYS A 62 2.875 4.391 -9.998 1.00 0.00 N ATOM 0 H LYS A 62 4.004 -0.027 -11.003 1.00 0.00 H new ATOM 0 HA LYS A 62 4.430 0.701 -13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.371 2.321 -11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.436 3.007 -12.804 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.250 1.700 -13.263 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.168 1.457 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.634 4.249 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.026 3.569 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.852 4.527 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.367 2.913 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.597 4.780 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.585 3.644 -9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.279 5.148 -10.585 1.00 0.00 H new ATOM 962 N THR A 63 6.741 2.112 -13.359 1.00 0.00 N ATOM 963 CA THR A 63 8.171 2.387 -13.414 1.00 0.00 C ATOM 964 C THR A 63 8.480 3.795 -12.918 1.00 0.00 C ATOM 965 O THR A 63 7.603 4.659 -12.884 1.00 0.00 O ATOM 966 CB THR A 63 8.719 2.228 -14.845 1.00 0.00 C ATOM 967 OG1 THR A 63 8.173 1.050 -15.450 1.00 0.00 O ATOM 968 CG2 THR A 63 10.238 2.142 -14.836 1.00 0.00 C ATOM 0 H THR A 63 6.161 2.797 -13.844 1.00 0.00 H new ATOM 0 HA THR A 63 8.657 1.660 -12.763 1.00 0.00 H new ATOM 0 HB THR A 63 8.424 3.103 -15.423 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.525 0.957 -16.360 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.602 2.030 -15.857 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.651 3.052 -14.401 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.550 1.282 -14.243 1.00 0.00 H new ATOM 976 N LYS A 64 9.732 4.021 -12.534 1.00 0.00 N ATOM 977 CA LYS A 64 10.158 5.326 -12.041 1.00 0.00 C ATOM 978 C LYS A 64 9.195 5.847 -10.980 1.00 0.00 C ATOM 979 O LYS A 64 8.699 6.969 -11.077 1.00 0.00 O ATOM 980 CB LYS A 64 10.250 6.325 -13.197 1.00 0.00 C ATOM 981 CG LYS A 64 11.408 6.056 -14.143 1.00 0.00 C ATOM 982 CD LYS A 64 11.833 7.317 -14.877 1.00 0.00 C ATOM 983 CE LYS A 64 12.433 6.994 -16.237 1.00 0.00 C ATOM 984 NZ LYS A 64 13.176 8.154 -16.804 1.00 0.00 N ATOM 0 H LYS A 64 10.470 3.317 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 64 11.143 5.212 -11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.318 6.302 -13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.351 7.331 -12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.253 5.659 -13.581 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.119 5.293 -14.866 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.972 7.973 -15.004 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.562 7.861 -14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.106 6.142 -16.144 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.639 6.700 -16.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.570 7.894 -17.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.528 8.960 -16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.949 8.419 -16.161 1.00 0.00 H new ATOM 998 N GLN A 65 8.937 5.026 -9.967 1.00 0.00 N ATOM 999 CA GLN A 65 8.034 5.407 -8.887 1.00 0.00 C ATOM 1000 C GLN A 65 8.791 5.560 -7.572 1.00 0.00 C ATOM 1001 O GLN A 65 8.696 6.592 -6.907 1.00 0.00 O ATOM 1002 CB GLN A 65 6.924 4.366 -8.731 1.00 0.00 C ATOM 1003 CG GLN A 65 6.271 3.971 -10.046 1.00 0.00 C ATOM 1004 CD GLN A 65 5.441 5.090 -10.644 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.931 5.952 -9.928 1.00 0.00 O ATOM 1006 NE2 GLN A 65 5.300 5.082 -11.965 1.00 0.00 N ATOM 0 H GLN A 65 9.340 4.094 -9.871 1.00 0.00 H new ATOM 0 HA GLN A 65 7.588 6.368 -9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.337 3.475 -8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.161 4.759 -8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.043 3.677 -10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.637 3.099 -9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.740 4.348 -12.520 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.752 5.810 -12.424 1.00 0.00 H new ATOM 1015 N ILE A 66 9.543 4.528 -7.205 1.00 0.00 N ATOM 1016 CA ILE A 66 10.317 4.549 -5.970 1.00 0.00 C ATOM 1017 C ILE A 66 11.812 4.448 -6.256 1.00 0.00 C ATOM 1018 O ILE A 66 12.245 3.639 -7.077 1.00 0.00 O ATOM 1019 CB ILE A 66 9.908 3.400 -5.029 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.398 3.426 -4.784 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.665 3.499 -3.713 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.883 2.206 -4.053 1.00 0.00 C ATOM 0 H ILE A 66 9.633 3.667 -7.745 1.00 0.00 H new ATOM 0 HA ILE A 66 10.106 5.500 -5.482 1.00 0.00 H new ATOM 0 HB ILE A 66 10.164 2.453 -5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.147 4.317 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.884 3.509 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.365 2.680 -3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.736 3.437 -3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.436 4.450 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.805 2.293 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.103 1.312 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.369 2.132 -3.080 1.00 0.00 H new ATOM 1034 N LYS A 67 12.596 5.275 -5.573 1.00 0.00 N ATOM 1035 CA LYS A 67 14.044 5.278 -5.750 1.00 0.00 C ATOM 1036 C LYS A 67 14.696 4.179 -4.918 1.00 0.00 C ATOM 1037 O LYS A 67 15.526 3.419 -5.418 1.00 0.00 O ATOM 1038 CB LYS A 67 14.623 6.640 -5.360 1.00 0.00 C ATOM 1039 CG LYS A 67 16.134 6.718 -5.492 1.00 0.00 C ATOM 1040 CD LYS A 67 16.830 6.224 -4.235 1.00 0.00 C ATOM 1041 CE LYS A 67 18.164 6.925 -4.024 1.00 0.00 C ATOM 1042 NZ LYS A 67 19.241 6.330 -4.863 1.00 0.00 N ATOM 0 H LYS A 67 12.253 5.952 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 67 14.257 5.087 -6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.172 7.410 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.345 6.862 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.457 6.122 -6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.430 7.748 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.188 6.395 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.990 5.148 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.060 7.983 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.445 6.862 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 20.134 6.835 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.358 5.326 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.984 6.413 -5.867 1.00 0.00 H new ATOM 1056 N SER A 68 14.315 4.099 -3.647 1.00 0.00 N ATOM 1057 CA SER A 68 14.865 3.094 -2.746 1.00 0.00 C ATOM 1058 C SER A 68 13.942 2.872 -1.551 1.00 0.00 C ATOM 1059 O SER A 68 13.131 3.733 -1.211 1.00 0.00 O ATOM 1060 CB SER A 68 16.253 3.518 -2.260 1.00 0.00 C ATOM 1061 OG SER A 68 16.700 2.686 -1.204 1.00 0.00 O ATOM 0 H SER A 68 13.627 4.719 -3.218 1.00 0.00 H new ATOM 0 HA SER A 68 14.951 2.157 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.961 3.473 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.223 4.554 -1.923 1.00 0.00 H new ATOM 0 HG SER A 68 17.589 2.977 -0.913 1.00 0.00 H new ATOM 1067 N VAL A 69 14.072 1.711 -0.918 1.00 0.00 N ATOM 1068 CA VAL A 69 13.252 1.374 0.239 1.00 0.00 C ATOM 1069 C VAL A 69 13.382 2.430 1.330 1.00 0.00 C ATOM 1070 O VAL A 69 12.479 2.607 2.149 1.00 0.00 O ATOM 1071 CB VAL A 69 13.637 0.001 0.820 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.188 -1.117 -0.108 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.137 -0.070 1.068 1.00 0.00 C ATOM 0 H VAL A 69 14.738 0.987 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 69 12.219 1.337 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 69 13.127 -0.126 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.469 -2.080 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.106 -1.076 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.667 -0.998 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.392 -1.047 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.669 0.079 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.426 0.707 1.775 1.00 0.00 H new ATOM 1083 N ASP A 70 14.510 3.131 1.336 1.00 0.00 N ATOM 1084 CA ASP A 70 14.758 4.173 2.327 1.00 0.00 C ATOM 1085 C ASP A 70 13.782 5.332 2.153 1.00 0.00 C ATOM 1086 O ASP A 70 13.432 6.012 3.117 1.00 0.00 O ATOM 1087 CB ASP A 70 16.197 4.680 2.215 1.00 0.00 C ATOM 1088 CG ASP A 70 17.155 3.900 3.094 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.978 2.671 3.219 1.00 0.00 O ATOM 1090 OD2 ASP A 70 18.083 4.520 3.656 1.00 0.00 O ATOM 0 H ASP A 70 15.268 2.997 0.666 1.00 0.00 H new ATOM 0 HA ASP A 70 14.609 3.742 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.523 4.612 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.231 5.734 2.492 1.00 0.00 H new ATOM 1095 N ASP A 71 13.347 5.552 0.917 1.00 0.00 N ATOM 1096 CA ASP A 71 12.411 6.629 0.616 1.00 0.00 C ATOM 1097 C ASP A 71 11.018 6.301 1.144 1.00 0.00 C ATOM 1098 O ASP A 71 10.189 7.192 1.332 1.00 0.00 O ATOM 1099 CB ASP A 71 12.353 6.876 -0.892 1.00 0.00 C ATOM 1100 CG ASP A 71 13.581 7.602 -1.407 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.700 7.254 -0.976 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.422 8.516 -2.243 1.00 0.00 O ATOM 0 H ASP A 71 13.628 4.999 0.107 1.00 0.00 H new ATOM 0 HA ASP A 71 12.764 7.534 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.254 5.922 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.463 7.460 -1.128 1.00 0.00 H new ATOM 1107 N VAL A 72 10.767 5.018 1.381 1.00 0.00 N ATOM 1108 CA VAL A 72 9.474 4.572 1.887 1.00 0.00 C ATOM 1109 C VAL A 72 9.424 4.649 3.409 1.00 0.00 C ATOM 1110 O VAL A 72 10.310 4.140 4.095 1.00 0.00 O ATOM 1111 CB VAL A 72 9.165 3.129 1.446 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.723 2.770 1.766 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.450 2.954 -0.038 1.00 0.00 C ATOM 0 H VAL A 72 11.442 4.268 1.231 1.00 0.00 H new ATOM 0 HA VAL A 72 8.722 5.240 1.467 1.00 0.00 H new ATOM 0 HB VAL A 72 9.814 2.451 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.523 1.747 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.557 2.854 2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.053 3.451 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.226 1.929 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.827 3.641 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.501 3.167 -0.234 1.00 0.00 H new ATOM 1123 N GLU A 73 8.381 5.287 3.930 1.00 0.00 N ATOM 1124 CA GLU A 73 8.216 5.430 5.372 1.00 0.00 C ATOM 1125 C GLU A 73 7.334 4.317 5.931 1.00 0.00 C ATOM 1126 O GLU A 73 6.379 3.884 5.288 1.00 0.00 O ATOM 1127 CB GLU A 73 7.608 6.794 5.705 1.00 0.00 C ATOM 1128 CG GLU A 73 7.445 7.039 7.196 1.00 0.00 C ATOM 1129 CD GLU A 73 8.722 7.529 7.850 1.00 0.00 C ATOM 1130 OE1 GLU A 73 9.625 6.698 8.083 1.00 0.00 O ATOM 1131 OE2 GLU A 73 8.819 8.743 8.129 1.00 0.00 O ATOM 0 H GLU A 73 7.638 5.713 3.376 1.00 0.00 H new ATOM 0 HA GLU A 73 9.200 5.357 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.239 7.577 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.634 6.876 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.655 7.773 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.125 6.116 7.679 1.00 0.00 H new ATOM 1138 N GLY A 74 7.662 3.859 7.136 1.00 0.00 N ATOM 1139 CA GLY A 74 6.891 2.800 7.762 1.00 0.00 C ATOM 1140 C GLY A 74 7.055 1.469 7.057 1.00 0.00 C ATOM 1141 O GLY A 74 6.347 0.508 7.359 1.00 0.00 O ATOM 0 H GLY A 74 8.447 4.202 7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.199 2.697 8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.837 3.077 7.768 1.00 0.00 H new ATOM 1145 N ILE A 75 7.990 1.411 6.114 1.00 0.00 N ATOM 1146 CA ILE A 75 8.244 0.187 5.364 1.00 0.00 C ATOM 1147 C ILE A 75 8.686 -0.942 6.289 1.00 0.00 C ATOM 1148 O ILE A 75 8.566 -2.118 5.948 1.00 0.00 O ATOM 1149 CB ILE A 75 9.320 0.402 4.284 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.375 -0.803 3.342 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.677 0.640 4.927 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.177 -0.550 2.084 1.00 0.00 C ATOM 0 H ILE A 75 8.584 2.197 5.851 1.00 0.00 H new ATOM 0 HA ILE A 75 7.306 -0.088 4.881 1.00 0.00 H new ATOM 0 HB ILE A 75 9.057 1.285 3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.807 -1.651 3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.359 -1.084 3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.427 0.790 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.629 1.525 5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.950 -0.225 5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.173 -1.446 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.733 0.277 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.203 -0.298 2.351 1.00 0.00 H new ATOM 1164 N GLU A 76 9.197 -0.575 7.460 1.00 0.00 N ATOM 1165 CA GLU A 76 9.657 -1.558 8.434 1.00 0.00 C ATOM 1166 C GLU A 76 8.477 -2.186 9.171 1.00 0.00 C ATOM 1167 O GLU A 76 8.626 -3.199 9.854 1.00 0.00 O ATOM 1168 CB GLU A 76 10.611 -0.908 9.437 1.00 0.00 C ATOM 1169 CG GLU A 76 9.991 0.246 10.207 1.00 0.00 C ATOM 1170 CD GLU A 76 10.625 0.445 11.570 1.00 0.00 C ATOM 1171 OE1 GLU A 76 10.213 -0.251 12.523 1.00 0.00 O ATOM 1172 OE2 GLU A 76 11.532 1.295 11.685 1.00 0.00 O ATOM 0 H GLU A 76 9.303 0.395 7.757 1.00 0.00 H new ATOM 0 HA GLU A 76 10.188 -2.344 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.952 -1.664 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.492 -0.548 8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.093 1.162 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.923 0.064 10.330 1.00 0.00 H new ATOM 1179 N SER A 77 7.305 -1.577 9.027 1.00 0.00 N ATOM 1180 CA SER A 77 6.100 -2.072 9.682 1.00 0.00 C ATOM 1181 C SER A 77 5.368 -3.070 8.790 1.00 0.00 C ATOM 1182 O SER A 77 4.510 -3.823 9.254 1.00 0.00 O ATOM 1183 CB SER A 77 5.171 -0.909 10.036 1.00 0.00 C ATOM 1184 OG SER A 77 4.091 -1.346 10.843 1.00 0.00 O ATOM 0 H SER A 77 7.164 -0.739 8.462 1.00 0.00 H new ATOM 0 HA SER A 77 6.398 -2.581 10.599 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.733 -0.138 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.786 -0.456 9.122 1.00 0.00 H new ATOM 0 HG SER A 77 3.513 -0.584 11.057 1.00 0.00 H new ATOM 1190 N LEU A 78 5.712 -3.070 7.507 1.00 0.00 N ATOM 1191 CA LEU A 78 5.088 -3.974 6.548 1.00 0.00 C ATOM 1192 C LEU A 78 5.579 -5.405 6.749 1.00 0.00 C ATOM 1193 O LEU A 78 6.627 -5.632 7.353 1.00 0.00 O ATOM 1194 CB LEU A 78 5.386 -3.518 5.118 1.00 0.00 C ATOM 1195 CG LEU A 78 5.199 -2.027 4.837 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.561 -1.706 3.396 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.768 -1.603 5.137 1.00 0.00 C ATOM 0 H LEU A 78 6.420 -2.454 7.107 1.00 0.00 H new ATOM 0 HA LEU A 78 4.011 -3.952 6.714 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.415 -3.786 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.745 -4.079 4.438 1.00 0.00 H new ATOM 0 HG LEU A 78 5.867 -1.467 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.422 -0.640 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.602 -1.972 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.919 -2.275 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.653 -0.539 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.081 -2.170 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.544 -1.796 6.186 1.00 0.00 H new ATOM 1209 N ARG A 79 4.815 -6.364 6.238 1.00 0.00 N ATOM 1210 CA ARG A 79 5.172 -7.772 6.362 1.00 0.00 C ATOM 1211 C ARG A 79 6.412 -8.093 5.532 1.00 0.00 C ATOM 1212 O ARG A 79 6.636 -7.499 4.478 1.00 0.00 O ATOM 1213 CB ARG A 79 4.005 -8.657 5.918 1.00 0.00 C ATOM 1214 CG ARG A 79 3.042 -9.004 7.042 1.00 0.00 C ATOM 1215 CD ARG A 79 3.637 -10.035 7.988 1.00 0.00 C ATOM 1216 NE ARG A 79 2.610 -10.871 8.603 1.00 0.00 N ATOM 1217 CZ ARG A 79 2.861 -11.764 9.553 1.00 0.00 C ATOM 1218 NH1 ARG A 79 4.099 -11.937 9.995 1.00 0.00 N ATOM 1219 NH2 ARG A 79 1.872 -12.487 10.064 1.00 0.00 N ATOM 0 H ARG A 79 3.945 -6.192 5.734 1.00 0.00 H new ATOM 0 HA ARG A 79 5.394 -7.974 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.456 -8.149 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.401 -9.579 5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.790 -8.101 7.598 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.113 -9.389 6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.339 -10.666 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.205 -9.527 8.767 1.00 0.00 H new ATOM 0 HE ARG A 79 1.647 -10.763 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.862 -11.383 9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.289 -12.624 10.725 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.918 -12.357 9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.066 -13.173 10.794 1.00 0.00 H new ATOM 1233 N TRP A 80 7.213 -9.036 6.015 1.00 0.00 N ATOM 1234 CA TRP A 80 8.430 -9.435 5.319 1.00 0.00 C ATOM 1235 C TRP A 80 8.205 -9.479 3.811 1.00 0.00 C ATOM 1236 O TRP A 80 8.870 -8.772 3.055 1.00 0.00 O ATOM 1237 CB TRP A 80 8.902 -10.802 5.817 1.00 0.00 C ATOM 1238 CG TRP A 80 9.896 -11.456 4.904 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.151 -11.010 4.605 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.714 -12.673 4.171 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.762 -11.876 3.730 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.902 -12.905 3.449 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.666 -13.589 4.056 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.066 -14.014 2.625 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.831 -14.690 3.237 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.024 -14.896 2.530 1.00 0.00 C ATOM 0 H TRP A 80 7.041 -9.538 6.886 1.00 0.00 H new ATOM 0 HA TRP A 80 9.200 -8.693 5.531 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.348 -10.687 6.805 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.038 -11.457 5.931 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.598 -10.109 4.998 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.703 -11.770 3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.743 -13.440 4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.984 -14.173 2.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.027 -15.404 3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.122 -15.767 1.899 1.00 0.00 H new ATOM 1257 N GLU A 81 7.264 -10.315 3.382 1.00 0.00 N ATOM 1258 CA GLU A 81 6.954 -10.450 1.963 1.00 0.00 C ATOM 1259 C GLU A 81 6.746 -9.082 1.319 1.00 0.00 C ATOM 1260 O GLU A 81 7.190 -8.839 0.197 1.00 0.00 O ATOM 1261 CB GLU A 81 5.703 -11.311 1.772 1.00 0.00 C ATOM 1262 CG GLU A 81 4.404 -10.545 1.954 1.00 0.00 C ATOM 1263 CD GLU A 81 3.181 -11.392 1.658 1.00 0.00 C ATOM 1264 OE1 GLU A 81 2.917 -12.340 2.427 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.490 -11.108 0.658 1.00 0.00 O ATOM 0 H GLU A 81 6.704 -10.908 3.995 1.00 0.00 H new ATOM 0 HA GLU A 81 7.800 -10.936 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.721 -11.747 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.730 -12.138 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.346 -10.174 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.405 -9.674 1.299 1.00 0.00 H new ATOM 1272 N ASP A 82 6.068 -8.194 2.037 1.00 0.00 N ATOM 1273 CA ASP A 82 5.801 -6.850 1.536 1.00 0.00 C ATOM 1274 C ASP A 82 7.095 -6.053 1.405 1.00 0.00 C ATOM 1275 O ASP A 82 7.396 -5.513 0.340 1.00 0.00 O ATOM 1276 CB ASP A 82 4.830 -6.120 2.466 1.00 0.00 C ATOM 1277 CG ASP A 82 3.522 -6.867 2.638 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.543 -8.116 2.606 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.478 -6.203 2.805 1.00 0.00 O ATOM 0 H ASP A 82 5.693 -8.380 2.967 1.00 0.00 H new ATOM 0 HA ASP A 82 5.348 -6.940 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.298 -5.984 3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.628 -5.126 2.068 1.00 0.00 H new ATOM 1284 N GLN A 83 7.854 -5.982 2.493 1.00 0.00 N ATOM 1285 CA GLN A 83 9.114 -5.248 2.499 1.00 0.00 C ATOM 1286 C GLN A 83 10.002 -5.683 1.338 1.00 0.00 C ATOM 1287 O GLN A 83 10.754 -4.881 0.785 1.00 0.00 O ATOM 1288 CB GLN A 83 9.847 -5.461 3.825 1.00 0.00 C ATOM 1289 CG GLN A 83 9.040 -5.036 5.041 1.00 0.00 C ATOM 1290 CD GLN A 83 9.910 -4.763 6.252 1.00 0.00 C ATOM 1291 OE1 GLN A 83 10.958 -4.126 6.147 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.478 -5.244 7.412 1.00 0.00 N ATOM 0 H GLN A 83 7.619 -6.424 3.382 1.00 0.00 H new ATOM 0 HA GLN A 83 8.889 -4.188 2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.107 -6.515 3.922 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.783 -4.903 3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.470 -4.139 4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.319 -5.816 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.603 -5.767 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.021 -5.091 8.262 1.00 0.00 H new ATOM 1301 N GLN A 84 9.911 -6.959 0.975 1.00 0.00 N ATOM 1302 CA GLN A 84 10.708 -7.500 -0.120 1.00 0.00 C ATOM 1303 C GLN A 84 10.265 -6.914 -1.457 1.00 0.00 C ATOM 1304 O GLN A 84 11.089 -6.638 -2.329 1.00 0.00 O ATOM 1305 CB GLN A 84 10.595 -9.025 -0.156 1.00 0.00 C ATOM 1306 CG GLN A 84 11.089 -9.701 1.113 1.00 0.00 C ATOM 1307 CD GLN A 84 12.561 -10.056 1.050 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.368 -9.547 1.829 1.00 0.00 O ATOM 1309 NE2 GLN A 84 12.920 -10.933 0.120 1.00 0.00 N ATOM 0 H GLN A 84 9.294 -7.637 1.423 1.00 0.00 H new ATOM 0 HA GLN A 84 11.749 -7.224 0.050 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.554 -9.300 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.164 -9.403 -1.005 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.914 -9.041 1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.508 -10.607 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.218 -11.330 -0.505 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.898 -11.210 0.030 1.00 0.00 H new ATOM 1318 N LYS A 85 8.959 -6.726 -1.611 1.00 0.00 N ATOM 1319 CA LYS A 85 8.405 -6.172 -2.841 1.00 0.00 C ATOM 1320 C LYS A 85 9.017 -4.810 -3.148 1.00 0.00 C ATOM 1321 O LYS A 85 9.117 -4.411 -4.309 1.00 0.00 O ATOM 1322 CB LYS A 85 6.884 -6.046 -2.728 1.00 0.00 C ATOM 1323 CG LYS A 85 6.173 -7.379 -2.573 1.00 0.00 C ATOM 1324 CD LYS A 85 4.679 -7.194 -2.368 1.00 0.00 C ATOM 1325 CE LYS A 85 4.062 -8.387 -1.655 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.579 -8.411 -1.795 1.00 0.00 N ATOM 0 H LYS A 85 8.264 -6.949 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 85 8.647 -6.852 -3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.643 -5.414 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.503 -5.541 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.347 -7.990 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.593 -7.920 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.500 -6.289 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.193 -7.055 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.480 -9.308 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.327 -8.355 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.196 -9.239 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.178 -7.543 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.326 -8.467 -2.802 1.00 0.00 H new ATOM 1340 N ILE A 86 9.427 -4.101 -2.102 1.00 0.00 N ATOM 1341 CA ILE A 86 10.032 -2.784 -2.261 1.00 0.00 C ATOM 1342 C ILE A 86 11.493 -2.898 -2.685 1.00 0.00 C ATOM 1343 O ILE A 86 11.858 -2.517 -3.797 1.00 0.00 O ATOM 1344 CB ILE A 86 9.950 -1.966 -0.959 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.567 -2.118 -0.321 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.254 -0.501 -1.234 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.464 -1.442 -1.105 1.00 0.00 C ATOM 0 H ILE A 86 9.351 -4.416 -1.135 1.00 0.00 H new ATOM 0 HA ILE A 86 9.469 -2.270 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 86 10.695 -2.347 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.335 -3.179 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.593 -1.703 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.192 0.064 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.258 -0.409 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.530 -0.107 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.512 -1.590 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.673 -0.375 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.411 -1.873 -2.105 1.00 0.00 H new ATOM 1359 N ARG A 87 12.323 -3.426 -1.792 1.00 0.00 N ATOM 1360 CA ARG A 87 13.744 -3.591 -2.074 1.00 0.00 C ATOM 1361 C ARG A 87 13.955 -4.371 -3.369 1.00 0.00 C ATOM 1362 O ARG A 87 14.839 -4.050 -4.163 1.00 0.00 O ATOM 1363 CB ARG A 87 14.436 -4.311 -0.915 1.00 0.00 C ATOM 1364 CG ARG A 87 13.705 -5.561 -0.451 1.00 0.00 C ATOM 1365 CD ARG A 87 13.878 -5.785 1.043 1.00 0.00 C ATOM 1366 NE ARG A 87 15.014 -6.654 1.338 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.455 -6.896 2.568 1.00 0.00 C ATOM 1368 NH1 ARG A 87 14.858 -6.337 3.611 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.495 -7.699 2.755 1.00 0.00 N ATOM 0 H ARG A 87 12.036 -3.747 -0.867 1.00 0.00 H new ATOM 0 HA ARG A 87 14.182 -2.600 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.447 -4.583 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.530 -3.623 -0.075 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.644 -5.472 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.081 -6.427 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.017 -4.825 1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.969 -6.226 1.451 1.00 0.00 H new ATOM 0 HE ARG A 87 15.495 -7.100 0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.058 -5.720 3.470 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.198 -6.524 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.956 -8.131 1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.833 -7.884 3.699 1.00 0.00 H new ATOM 1383 N LYS A 88 13.136 -5.397 -3.575 1.00 0.00 N ATOM 1384 CA LYS A 88 13.231 -6.223 -4.773 1.00 0.00 C ATOM 1385 C LYS A 88 12.694 -5.478 -5.991 1.00 0.00 C ATOM 1386 O LYS A 88 12.642 -6.026 -7.092 1.00 0.00 O ATOM 1387 CB LYS A 88 12.458 -7.529 -4.579 1.00 0.00 C ATOM 1388 CG LYS A 88 12.862 -8.296 -3.332 1.00 0.00 C ATOM 1389 CD LYS A 88 13.986 -9.277 -3.621 1.00 0.00 C ATOM 1390 CE LYS A 88 13.492 -10.470 -4.425 1.00 0.00 C ATOM 1391 NZ LYS A 88 14.567 -11.478 -4.639 1.00 0.00 N ATOM 0 H LYS A 88 12.399 -5.676 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 88 14.283 -6.452 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.392 -7.306 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.610 -8.164 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.179 -7.595 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.999 -8.835 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.780 -8.771 -4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.418 -9.623 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.655 -10.936 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.118 -10.128 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 14.191 -12.275 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.355 -11.040 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.907 -11.824 -3.719 1.00 0.00 H new ATOM 1405 N TYR A 89 12.297 -4.227 -5.786 1.00 0.00 N ATOM 1406 CA TYR A 89 11.764 -3.408 -6.868 1.00 0.00 C ATOM 1407 C TYR A 89 12.678 -2.221 -7.154 1.00 0.00 C ATOM 1408 O TYR A 89 12.902 -1.858 -8.309 1.00 0.00 O ATOM 1409 CB TYR A 89 10.360 -2.912 -6.516 1.00 0.00 C ATOM 1410 CG TYR A 89 9.901 -1.744 -7.359 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.305 -1.948 -8.597 1.00 0.00 C ATOM 1412 CD2 TYR A 89 10.065 -0.437 -6.917 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.885 -0.883 -9.371 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.646 0.634 -7.684 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.057 0.405 -8.910 1.00 0.00 C ATOM 1416 OH TYR A 89 8.641 1.469 -9.678 1.00 0.00 O ATOM 0 H TYR A 89 12.334 -3.758 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 89 11.710 -4.026 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.654 -3.734 -6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.339 -2.621 -5.466 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.168 -2.956 -8.961 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.528 -0.255 -5.958 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.424 -1.059 -10.332 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.779 1.644 -7.325 1.00 0.00 H new ATOM 0 HH TYR A 89 8.128 1.138 -10.445 1.00 0.00 H new ATOM 1426 N VAL A 90 13.204 -1.618 -6.092 1.00 0.00 N ATOM 1427 CA VAL A 90 14.096 -0.473 -6.227 1.00 0.00 C ATOM 1428 C VAL A 90 15.483 -0.907 -6.688 1.00 0.00 C ATOM 1429 O VAL A 90 16.158 -0.184 -7.420 1.00 0.00 O ATOM 1430 CB VAL A 90 14.226 0.297 -4.899 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.909 0.966 -4.538 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.682 -0.635 -3.786 1.00 0.00 C ATOM 0 H VAL A 90 13.027 -1.904 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 90 13.656 0.183 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 90 14.979 1.075 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.021 1.505 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.628 1.665 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.133 0.208 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.769 -0.075 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.954 -1.436 -3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.651 -1.063 -4.044 1.00 0.00 H new ATOM 1442 N GLU A 91 15.900 -2.092 -6.254 1.00 0.00 N ATOM 1443 CA GLU A 91 17.208 -2.622 -6.623 1.00 0.00 C ATOM 1444 C GLU A 91 17.198 -3.144 -8.057 1.00 0.00 C ATOM 1445 O GLU A 91 18.069 -2.804 -8.858 1.00 0.00 O ATOM 1446 CB GLU A 91 17.618 -3.741 -5.664 1.00 0.00 C ATOM 1447 CG GLU A 91 17.708 -3.298 -4.214 1.00 0.00 C ATOM 1448 CD GLU A 91 19.066 -2.723 -3.862 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.077 -3.432 -4.051 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.118 -1.565 -3.399 1.00 0.00 O ATOM 0 H GLU A 91 15.352 -2.703 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 91 17.933 -1.811 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.899 -4.556 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.585 -4.138 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.939 -2.550 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.498 -4.148 -3.565 1.00 0.00 H new