USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 54 ASN : amide:sc= -0.121 K(o=-0.12,f=-6.6!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= -0.99 K(o=-1.1,f=-6) USER MOD Set 2.2: A 95 THR OG1 : rot -179:sc= -0.0686 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -6.13 K(o=-6.1,f=-3) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.04! USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -50:sc= -0.0281 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.944 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -102:sc= -0.0066 USER MOD Single : A 46 CYS SG : rot -24:sc= 0.0929 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0342 USER MOD Single : A 51 SER OG : rot 29:sc= 0.553 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.27) USER MOD Single : A 63 THR OG1 : rot 120:sc= 0.177 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= -0.0217 (180deg=-0.769) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.59) USER MOD Single : A 71 HIS : no HE2:sc= -3 K(o=-3,f=-5.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -169:sc= -1.48 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -9.95! C(o=-9.9!,f=-15!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.737 15.908 -4.716 1.00 0.00 N ATOM 133 CA ALA A 12 12.981 15.252 -3.663 1.00 0.00 C ATOM 134 C ALA A 12 12.329 13.986 -4.222 1.00 0.00 C ATOM 135 O ALA A 12 12.030 13.911 -5.412 1.00 0.00 O ATOM 136 CB ALA A 12 11.956 16.229 -3.084 1.00 0.00 C ATOM 0 HA ALA A 12 13.640 14.951 -2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.389 15.736 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.472 17.097 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.275 16.551 -3.872 1.00 0.00 H new ATOM 142 N PRO A 13 12.122 12.996 -3.312 1.00 0.00 N ATOM 143 CA PRO A 13 11.511 11.737 -3.702 1.00 0.00 C ATOM 144 C PRO A 13 10.005 11.902 -3.917 1.00 0.00 C ATOM 145 O PRO A 13 9.312 12.465 -3.071 1.00 0.00 O ATOM 146 CB PRO A 13 11.848 10.771 -2.578 1.00 0.00 C ATOM 147 CG PRO A 13 12.233 11.635 -1.388 1.00 0.00 C ATOM 148 CD PRO A 13 12.463 13.049 -1.893 1.00 0.00 C ATOM 0 HA PRO A 13 11.887 11.365 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.995 10.136 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.667 10.111 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.444 11.622 -0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.134 11.249 -0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.837 13.766 -1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.498 13.359 -1.746 1.00 0.00 H new ATOM 156 N LYS A 14 9.543 11.400 -5.053 1.00 0.00 N ATOM 157 CA LYS A 14 8.132 11.485 -5.390 1.00 0.00 C ATOM 158 C LYS A 14 7.536 10.076 -5.429 1.00 0.00 C ATOM 159 O LYS A 14 8.225 9.117 -5.773 1.00 0.00 O ATOM 160 CB LYS A 14 7.937 12.272 -6.687 1.00 0.00 C ATOM 161 CG LYS A 14 7.402 13.676 -6.402 1.00 0.00 C ATOM 162 CD LYS A 14 6.556 14.188 -7.569 1.00 0.00 C ATOM 163 CE LYS A 14 7.442 14.741 -8.687 1.00 0.00 C ATOM 164 NZ LYS A 14 7.887 16.115 -8.364 1.00 0.00 N ATOM 0 H LYS A 14 10.121 10.933 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 14 7.590 12.040 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.885 12.342 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.243 11.740 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.802 13.663 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.234 14.357 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.937 13.379 -7.957 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.879 14.967 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.309 14.095 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.892 14.742 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.487 16.475 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.057 16.732 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.430 16.105 -7.477 1.00 0.00 H new ATOM 178 N LEU A 15 6.263 9.997 -5.072 1.00 0.00 N ATOM 179 CA LEU A 15 5.567 8.722 -5.062 1.00 0.00 C ATOM 180 C LEU A 15 4.155 8.912 -5.620 1.00 0.00 C ATOM 181 O LEU A 15 3.326 9.582 -5.006 1.00 0.00 O ATOM 182 CB LEU A 15 5.596 8.106 -3.662 1.00 0.00 C ATOM 183 CG LEU A 15 4.528 7.050 -3.370 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.508 5.975 -4.459 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.716 6.450 -1.976 1.00 0.00 C ATOM 0 H LEU A 15 5.695 10.795 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 15 6.074 8.007 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.576 7.655 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.494 8.909 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 15 3.553 7.538 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.740 5.237 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.289 6.437 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.481 5.485 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.944 5.703 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.698 5.981 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.641 7.239 -1.227 1.00 0.00 H new ATOM 197 N HIS A 16 3.925 8.311 -6.778 1.00 0.00 N ATOM 198 CA HIS A 16 2.628 8.405 -7.426 1.00 0.00 C ATOM 199 C HIS A 16 1.697 7.325 -6.872 1.00 0.00 C ATOM 200 O HIS A 16 2.129 6.204 -6.606 1.00 0.00 O ATOM 201 CB HIS A 16 2.774 8.338 -8.947 1.00 0.00 C ATOM 202 CG HIS A 16 1.546 8.786 -9.703 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.812 7.936 -10.512 1.00 0.00 N ATOM 204 CD2 HIS A 16 0.930 10.002 -9.763 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.197 8.620 -11.031 1.00 0.00 C ATOM 206 NE2 HIS A 16 -0.122 9.900 -10.566 1.00 0.00 N ATOM 0 H HIS A 16 4.615 7.757 -7.285 1.00 0.00 H new ATOM 0 HA HIS A 16 2.177 9.372 -7.205 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.619 8.957 -9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.011 7.314 -9.234 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.014 6.950 -10.680 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.245 10.896 -9.245 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.947 8.232 -11.704 1.00 0.00 H new ATOM 214 N TYR A 17 0.436 7.700 -6.713 1.00 0.00 N ATOM 215 CA TYR A 17 -0.559 6.777 -6.196 1.00 0.00 C ATOM 216 C TYR A 17 -1.973 7.227 -6.571 1.00 0.00 C ATOM 217 O TYR A 17 -2.284 8.416 -6.519 1.00 0.00 O ATOM 218 CB TYR A 17 -0.414 6.810 -4.673 1.00 0.00 C ATOM 219 CG TYR A 17 -0.409 8.220 -4.079 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.596 8.908 -3.923 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.782 8.805 -3.700 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.591 10.235 -3.365 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.787 10.132 -3.141 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.400 10.782 -3.001 1.00 0.00 C ATOM 225 OH TYR A 17 -0.396 12.035 -2.474 1.00 0.00 O ATOM 0 H TYR A 17 0.081 8.631 -6.933 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.408 5.780 -6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.231 6.242 -4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.512 6.307 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.528 8.451 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.711 8.267 -3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.512 10.784 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.712 10.601 -2.840 1.00 0.00 H new ATOM 0 HH TYR A 17 0.524 12.297 -2.259 1.00 0.00 H new ATOM 235 N CYS A 18 -2.791 6.253 -6.941 1.00 0.00 N ATOM 236 CA CYS A 18 -4.164 6.534 -7.325 1.00 0.00 C ATOM 237 C CYS A 18 -5.093 5.850 -6.321 1.00 0.00 C ATOM 238 O CYS A 18 -5.324 4.645 -6.404 1.00 0.00 O ATOM 239 CB CYS A 18 -4.451 6.091 -8.762 1.00 0.00 C ATOM 240 SG CYS A 18 -6.255 6.101 -9.070 1.00 0.00 S ATOM 0 H CYS A 18 -2.529 5.268 -6.983 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.337 7.610 -7.304 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.950 6.758 -9.464 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.050 5.091 -8.930 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.489 5.725 -10.292 1.00 0.00 H new ATOM 246 N LEU A 19 -5.602 6.650 -5.395 1.00 0.00 N ATOM 247 CA LEU A 19 -6.501 6.137 -4.375 1.00 0.00 C ATOM 248 C LEU A 19 -7.872 5.868 -4.999 1.00 0.00 C ATOM 249 O LEU A 19 -8.345 6.646 -5.827 1.00 0.00 O ATOM 250 CB LEU A 19 -6.547 7.085 -3.175 1.00 0.00 C ATOM 251 CG LEU A 19 -5.194 7.581 -2.660 1.00 0.00 C ATOM 252 CD1 LEU A 19 -5.284 7.987 -1.188 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.100 6.539 -2.902 1.00 0.00 C ATOM 0 H LEU A 19 -5.409 7.649 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.134 5.187 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.151 7.952 -3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.062 6.580 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.919 8.473 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.309 8.336 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.016 8.787 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.591 7.128 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.149 6.916 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.355 5.616 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.016 6.341 -3.971 1.00 0.00 H new ATOM 265 N ASP A 20 -8.472 4.764 -4.578 1.00 0.00 N ATOM 266 CA ASP A 20 -9.779 4.383 -5.086 1.00 0.00 C ATOM 267 C ASP A 20 -10.429 3.394 -4.116 1.00 0.00 C ATOM 268 O ASP A 20 -9.972 2.260 -3.982 1.00 0.00 O ATOM 269 CB ASP A 20 -9.663 3.700 -6.450 1.00 0.00 C ATOM 270 CG ASP A 20 -10.931 2.989 -6.927 1.00 0.00 C ATOM 271 OD1 ASP A 20 -11.966 3.156 -6.246 1.00 0.00 O ATOM 272 OD2 ASP A 20 -10.837 2.295 -7.963 1.00 0.00 O ATOM 0 H ASP A 20 -8.077 4.122 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.379 5.288 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.383 4.448 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.851 2.974 -6.408 1.00 0.00 H new ATOM 277 N TYR A 21 -11.485 3.860 -3.465 1.00 0.00 N ATOM 278 CA TYR A 21 -12.203 3.030 -2.512 1.00 0.00 C ATOM 279 C TYR A 21 -13.537 2.556 -3.092 1.00 0.00 C ATOM 280 O TYR A 21 -14.432 3.363 -3.340 1.00 0.00 O ATOM 281 CB TYR A 21 -12.476 3.922 -1.299 1.00 0.00 C ATOM 282 CG TYR A 21 -13.109 3.186 -0.116 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.356 2.303 0.631 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.434 3.406 0.203 1.00 0.00 C ATOM 285 CE1 TYR A 21 -12.952 1.611 1.744 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.030 2.713 1.317 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.259 1.850 2.032 1.00 0.00 C ATOM 288 OH TYR A 21 -14.823 1.197 3.083 1.00 0.00 O ATOM 0 H TYR A 21 -11.861 4.801 -3.579 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.620 2.145 -2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.538 4.373 -0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.134 4.737 -1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.320 2.131 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.023 4.097 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.374 0.918 2.337 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.065 2.875 1.578 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.629 0.239 3.015 1.00 0.00 H new ATOM 298 N ASP A 22 -13.628 1.250 -3.293 1.00 0.00 N ATOM 299 CA ASP A 22 -14.837 0.659 -3.840 1.00 0.00 C ATOM 300 C ASP A 22 -15.797 0.323 -2.697 1.00 0.00 C ATOM 301 O ASP A 22 -15.808 -0.803 -2.201 1.00 0.00 O ATOM 302 CB ASP A 22 -14.526 -0.636 -4.592 1.00 0.00 C ATOM 303 CG ASP A 22 -15.384 -0.884 -5.834 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.430 -0.209 -5.946 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.975 -1.744 -6.644 1.00 0.00 O ATOM 0 H ASP A 22 -12.884 0.584 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.282 1.378 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.478 -0.623 -4.890 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.652 -1.475 -3.908 1.00 0.00 H new ATOM 310 N CYS A 23 -16.580 1.320 -2.311 1.00 0.00 N ATOM 311 CA CYS A 23 -17.541 1.144 -1.236 1.00 0.00 C ATOM 312 C CYS A 23 -18.250 -0.196 -1.439 1.00 0.00 C ATOM 313 O CYS A 23 -18.571 -0.886 -0.473 1.00 0.00 O ATOM 314 CB CYS A 23 -18.531 2.308 -1.166 1.00 0.00 C ATOM 315 SG CYS A 23 -19.819 2.113 -2.451 1.00 0.00 S ATOM 0 H CYS A 23 -16.568 2.253 -2.724 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.021 1.137 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -18.993 2.344 -0.179 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.005 3.252 -1.307 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.656 3.106 -2.381 1.00 0.00 H new ATOM 321 N GLN A 24 -18.474 -0.525 -2.703 1.00 0.00 N ATOM 322 CA GLN A 24 -19.139 -1.770 -3.046 1.00 0.00 C ATOM 323 C GLN A 24 -18.380 -2.959 -2.453 1.00 0.00 C ATOM 324 O GLN A 24 -18.984 -3.856 -1.867 1.00 0.00 O ATOM 325 CB GLN A 24 -19.285 -1.915 -4.563 1.00 0.00 C ATOM 326 CG GLN A 24 -19.846 -0.634 -5.184 1.00 0.00 C ATOM 327 CD GLN A 24 -21.192 -0.898 -5.862 1.00 0.00 C ATOM 328 OE1 GLN A 24 -22.244 -0.510 -5.381 1.00 0.00 O ATOM 329 NE2 GLN A 24 -21.100 -1.577 -7.001 1.00 0.00 N ATOM 0 H GLN A 24 -18.206 0.050 -3.502 1.00 0.00 H new ATOM 0 HA GLN A 24 -20.141 -1.753 -2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -18.315 -2.143 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.944 -2.753 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.966 0.126 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -19.139 -0.239 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -20.187 -1.872 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -21.943 -1.803 -7.529 1.00 0.00 H new ATOM 338 N LYS A 25 -17.066 -2.926 -2.624 1.00 0.00 N ATOM 339 CA LYS A 25 -16.218 -3.989 -2.112 1.00 0.00 C ATOM 340 C LYS A 25 -15.631 -3.564 -0.765 1.00 0.00 C ATOM 341 O LYS A 25 -14.902 -4.327 -0.133 1.00 0.00 O ATOM 342 CB LYS A 25 -15.162 -4.377 -3.149 1.00 0.00 C ATOM 343 CG LYS A 25 -15.646 -4.071 -4.567 1.00 0.00 C ATOM 344 CD LYS A 25 -14.787 -4.793 -5.608 1.00 0.00 C ATOM 345 CE LYS A 25 -15.651 -5.664 -6.523 1.00 0.00 C ATOM 346 NZ LYS A 25 -14.939 -6.915 -6.869 1.00 0.00 N ATOM 0 H LYS A 25 -16.568 -2.180 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.803 -4.891 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.237 -3.835 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.934 -5.439 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.687 -4.377 -4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.610 -2.996 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.241 -4.062 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.044 -5.412 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.593 -5.899 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.897 -5.115 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.538 -7.495 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.052 -6.685 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.726 -7.445 -6.000 1.00 0.00 H new ATOM 360 N ALA A 26 -15.972 -2.347 -0.365 1.00 0.00 N ATOM 361 CA ALA A 26 -15.487 -1.811 0.896 1.00 0.00 C ATOM 362 C ALA A 26 -13.974 -2.018 0.985 1.00 0.00 C ATOM 363 O ALA A 26 -13.421 -2.114 2.079 1.00 0.00 O ATOM 364 CB ALA A 26 -16.236 -2.475 2.054 1.00 0.00 C ATOM 0 H ALA A 26 -16.578 -1.718 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.677 -0.739 0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.873 -2.074 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.303 -2.274 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.066 -3.551 2.028 1.00 0.00 H new ATOM 370 N GLU A 27 -13.347 -2.080 -0.181 1.00 0.00 N ATOM 371 CA GLU A 27 -11.909 -2.273 -0.248 1.00 0.00 C ATOM 372 C GLU A 27 -11.240 -1.057 -0.893 1.00 0.00 C ATOM 373 O GLU A 27 -11.762 -0.493 -1.853 1.00 0.00 O ATOM 374 CB GLU A 27 -11.563 -3.556 -1.006 1.00 0.00 C ATOM 375 CG GLU A 27 -12.156 -4.782 -0.309 1.00 0.00 C ATOM 376 CD GLU A 27 -12.986 -5.619 -1.284 1.00 0.00 C ATOM 377 OE1 GLU A 27 -12.735 -5.487 -2.501 1.00 0.00 O ATOM 378 OE2 GLU A 27 -13.852 -6.373 -0.790 1.00 0.00 O ATOM 0 H GLU A 27 -13.809 -2.000 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.528 -2.377 0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.943 -3.494 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.480 -3.661 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.354 -5.391 0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.781 -4.464 0.526 1.00 0.00 H new ATOM 385 N LEU A 28 -10.094 -0.690 -0.339 1.00 0.00 N ATOM 386 CA LEU A 28 -9.348 0.449 -0.848 1.00 0.00 C ATOM 387 C LEU A 28 -8.418 -0.017 -1.970 1.00 0.00 C ATOM 388 O LEU A 28 -8.221 -1.216 -2.161 1.00 0.00 O ATOM 389 CB LEU A 28 -8.623 1.168 0.292 1.00 0.00 C ATOM 390 CG LEU A 28 -7.912 2.470 -0.081 1.00 0.00 C ATOM 391 CD1 LEU A 28 -8.898 3.486 -0.660 1.00 0.00 C ATOM 392 CD2 LEU A 28 -7.142 3.036 1.114 1.00 0.00 C ATOM 0 H LEU A 28 -9.664 -1.161 0.457 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.025 1.186 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.347 1.385 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.888 0.485 0.717 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.182 2.250 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.367 4.403 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.363 3.073 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.668 3.708 0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.646 3.961 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.835 3.238 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.396 2.312 1.442 1.00 0.00 H new ATOM 404 N PHE A 29 -7.870 0.956 -2.684 1.00 0.00 N ATOM 405 CA PHE A 29 -6.966 0.660 -3.782 1.00 0.00 C ATOM 406 C PHE A 29 -6.057 1.854 -4.080 1.00 0.00 C ATOM 407 O PHE A 29 -6.525 2.988 -4.170 1.00 0.00 O ATOM 408 CB PHE A 29 -7.832 0.375 -5.010 1.00 0.00 C ATOM 409 CG PHE A 29 -8.695 -0.882 -4.884 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.865 -0.838 -4.193 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.292 -2.045 -5.464 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.666 -2.004 -4.076 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.093 -3.211 -5.348 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.263 -3.167 -4.656 1.00 0.00 C ATOM 0 H PHE A 29 -8.035 1.950 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.333 -0.189 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.481 1.232 -5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.186 0.274 -5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.185 0.085 -3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.362 -2.081 -6.013 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.595 -1.968 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.773 -4.134 -5.809 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.872 -4.055 -4.567 1.00 0.00 H new ATOM 424 N VAL A 30 -4.774 1.559 -4.226 1.00 0.00 N ATOM 425 CA VAL A 30 -3.795 2.594 -4.512 1.00 0.00 C ATOM 426 C VAL A 30 -3.036 2.232 -5.790 1.00 0.00 C ATOM 427 O VAL A 30 -1.877 1.825 -5.733 1.00 0.00 O ATOM 428 CB VAL A 30 -2.875 2.792 -3.306 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.961 4.003 -3.506 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.685 2.924 -2.014 1.00 0.00 C ATOM 0 H VAL A 30 -4.389 0.617 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.289 3.550 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.244 1.907 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.317 4.121 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.346 3.852 -4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.568 4.900 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.007 3.064 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.352 3.783 -2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.274 2.020 -1.860 1.00 0.00 H new ATOM 440 N THR A 31 -3.720 2.395 -6.913 1.00 0.00 N ATOM 441 CA THR A 31 -3.125 2.091 -8.203 1.00 0.00 C ATOM 442 C THR A 31 -2.230 3.244 -8.662 1.00 0.00 C ATOM 443 O THR A 31 -1.888 4.123 -7.872 1.00 0.00 O ATOM 444 CB THR A 31 -4.256 1.772 -9.182 1.00 0.00 C ATOM 445 OG1 THR A 31 -5.158 2.866 -9.040 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.076 0.554 -8.752 1.00 0.00 C ATOM 0 H THR A 31 -4.681 2.734 -6.956 1.00 0.00 H new ATOM 0 HA THR A 31 -2.473 1.219 -8.143 1.00 0.00 H new ATOM 0 HB THR A 31 -3.839 1.597 -10.174 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.920 2.592 -8.488 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.865 0.371 -9.481 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.427 -0.319 -8.693 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.521 0.742 -7.775 1.00 0.00 H new ATOM 454 N ARG A 32 -1.877 3.205 -9.939 1.00 0.00 N ATOM 455 CA ARG A 32 -1.029 4.235 -10.513 1.00 0.00 C ATOM 456 C ARG A 32 0.172 4.502 -9.604 1.00 0.00 C ATOM 457 O ARG A 32 0.383 5.632 -9.164 1.00 0.00 O ATOM 458 CB ARG A 32 -1.806 5.538 -10.717 1.00 0.00 C ATOM 459 CG ARG A 32 -3.057 5.303 -11.566 1.00 0.00 C ATOM 460 CD ARG A 32 -2.726 5.366 -13.058 1.00 0.00 C ATOM 461 NE ARG A 32 -3.962 5.214 -13.858 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.530 4.035 -14.145 1.00 0.00 C ATOM 463 NH1 ARG A 32 -3.978 2.898 -13.701 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.652 3.993 -14.878 1.00 0.00 N ATOM 0 H ARG A 32 -2.163 2.476 -10.592 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.682 3.877 -11.482 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.091 5.951 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.166 6.275 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.487 4.330 -11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.811 6.053 -11.325 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.246 6.316 -13.293 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.017 4.579 -13.315 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.409 6.059 -14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.124 2.929 -13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.411 2.001 -13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.073 4.858 -15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.085 3.096 -15.097 1.00 0.00 H new ATOM 478 N LEU A 33 0.927 3.444 -9.348 1.00 0.00 N ATOM 479 CA LEU A 33 2.101 3.551 -8.499 1.00 0.00 C ATOM 480 C LEU A 33 3.325 3.856 -9.364 1.00 0.00 C ATOM 481 O LEU A 33 3.657 3.092 -10.270 1.00 0.00 O ATOM 482 CB LEU A 33 2.255 2.295 -7.638 1.00 0.00 C ATOM 483 CG LEU A 33 1.261 2.147 -6.485 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.501 0.845 -5.718 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.301 3.370 -5.565 1.00 0.00 C ATOM 0 H LEU A 33 0.749 2.509 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 33 1.990 4.379 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.164 1.422 -8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.264 2.283 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 33 0.257 2.093 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.781 0.764 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.381 -0.002 -6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.512 0.844 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.585 3.239 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.303 3.481 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.044 4.263 -6.135 1.00 0.00 H new ATOM 497 N GLU A 34 3.964 4.975 -9.056 1.00 0.00 N ATOM 498 CA GLU A 34 5.144 5.391 -9.794 1.00 0.00 C ATOM 499 C GLU A 34 6.067 6.219 -8.897 1.00 0.00 C ATOM 500 O GLU A 34 5.836 7.410 -8.693 1.00 0.00 O ATOM 501 CB GLU A 34 4.758 6.172 -11.052 1.00 0.00 C ATOM 502 CG GLU A 34 3.553 5.532 -11.745 1.00 0.00 C ATOM 503 CD GLU A 34 3.173 6.307 -13.009 1.00 0.00 C ATOM 504 OE1 GLU A 34 4.042 7.064 -13.493 1.00 0.00 O ATOM 505 OE2 GLU A 34 2.022 6.124 -13.462 1.00 0.00 O ATOM 0 H GLU A 34 3.686 5.607 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 34 5.683 4.498 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.525 7.203 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.603 6.203 -11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.784 4.498 -12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.705 5.508 -11.060 1.00 0.00 H new ATOM 512 N ALA A 35 7.094 5.556 -8.386 1.00 0.00 N ATOM 513 CA ALA A 35 8.052 6.215 -7.515 1.00 0.00 C ATOM 514 C ALA A 35 8.998 7.070 -8.361 1.00 0.00 C ATOM 515 O ALA A 35 9.515 6.609 -9.378 1.00 0.00 O ATOM 516 CB ALA A 35 8.797 5.166 -6.688 1.00 0.00 C ATOM 0 H ALA A 35 7.284 4.569 -8.559 1.00 0.00 H new ATOM 0 HA ALA A 35 7.543 6.878 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.516 5.661 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.084 4.605 -6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.323 4.483 -7.355 1.00 0.00 H new ATOM 522 N VAL A 36 9.197 8.300 -7.909 1.00 0.00 N ATOM 523 CA VAL A 36 10.071 9.223 -8.612 1.00 0.00 C ATOM 524 C VAL A 36 11.205 9.654 -7.679 1.00 0.00 C ATOM 525 O VAL A 36 11.135 10.716 -7.061 1.00 0.00 O ATOM 526 CB VAL A 36 9.261 10.402 -9.153 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.178 11.561 -9.551 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.383 9.970 -10.329 1.00 0.00 C ATOM 0 H VAL A 36 8.768 8.678 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 36 10.526 8.737 -9.475 1.00 0.00 H new ATOM 0 HB VAL A 36 8.605 10.752 -8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.577 12.386 -9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.741 11.895 -8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.870 11.228 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.818 10.827 -10.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.013 9.582 -11.130 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.693 9.193 -10.001 1.00 0.00 H new ATOM 631 N ASP A 45 16.043 -4.193 -4.330 1.00 0.00 N ATOM 632 CA ASP A 45 14.750 -3.979 -4.956 1.00 0.00 C ATOM 633 C ASP A 45 13.867 -3.147 -4.023 1.00 0.00 C ATOM 634 O ASP A 45 13.839 -3.383 -2.816 1.00 0.00 O ATOM 635 CB ASP A 45 14.039 -5.308 -5.219 1.00 0.00 C ATOM 636 CG ASP A 45 14.937 -6.429 -5.747 1.00 0.00 C ATOM 637 OD1 ASP A 45 16.046 -6.094 -6.215 1.00 0.00 O ATOM 638 OD2 ASP A 45 14.493 -7.595 -5.671 1.00 0.00 O ATOM 0 HA ASP A 45 14.915 -3.464 -5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.573 -5.643 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.236 -5.138 -5.937 1.00 0.00 H new ATOM 643 N CYS A 46 13.169 -2.191 -4.618 1.00 0.00 N ATOM 644 CA CYS A 46 12.288 -1.323 -3.855 1.00 0.00 C ATOM 645 C CYS A 46 10.843 -1.654 -4.233 1.00 0.00 C ATOM 646 O CYS A 46 10.593 -2.271 -5.267 1.00 0.00 O ATOM 647 CB CYS A 46 12.614 0.154 -4.082 1.00 0.00 C ATOM 648 SG CYS A 46 12.318 0.599 -5.832 1.00 0.00 S ATOM 0 H CYS A 46 13.196 -1.998 -5.619 1.00 0.00 H new ATOM 0 HA CYS A 46 12.433 -1.499 -2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.998 0.775 -3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.654 0.350 -3.819 1.00 0.00 H new ATOM 0 HG CYS A 46 12.408 -0.466 -6.572 1.00 0.00 H new ATOM 654 N TYR A 47 9.928 -1.227 -3.375 1.00 0.00 N ATOM 655 CA TYR A 47 8.514 -1.470 -3.606 1.00 0.00 C ATOM 656 C TYR A 47 7.652 -0.497 -2.799 1.00 0.00 C ATOM 657 O TYR A 47 8.117 0.087 -1.821 1.00 0.00 O ATOM 658 CB TYR A 47 8.246 -2.895 -3.119 1.00 0.00 C ATOM 659 CG TYR A 47 8.769 -3.181 -1.710 1.00 0.00 C ATOM 660 CD1 TYR A 47 10.117 -3.390 -1.504 1.00 0.00 C ATOM 661 CD2 TYR A 47 7.892 -3.229 -0.645 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.610 -3.658 -0.177 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.385 -3.497 0.682 1.00 0.00 C ATOM 664 CZ TYR A 47 9.719 -3.699 0.850 1.00 0.00 C ATOM 665 OH TYR A 47 10.184 -3.952 2.102 1.00 0.00 O ATOM 0 H TYR A 47 10.138 -0.714 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 47 8.268 -1.335 -4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.172 -3.079 -3.141 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.704 -3.598 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.803 -3.353 -2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.837 -3.066 -0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.663 -3.823 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.710 -3.537 1.524 1.00 0.00 H new ATOM 0 HH TYR A 47 9.436 -3.950 2.735 1.00 0.00 H new ATOM 675 N VAL A 48 6.410 -0.354 -3.237 1.00 0.00 N ATOM 676 CA VAL A 48 5.478 0.538 -2.568 1.00 0.00 C ATOM 677 C VAL A 48 4.698 -0.246 -1.511 1.00 0.00 C ATOM 678 O VAL A 48 4.318 -1.393 -1.739 1.00 0.00 O ATOM 679 CB VAL A 48 4.573 1.218 -3.597 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.707 2.294 -2.940 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.394 1.802 -4.749 1.00 0.00 C ATOM 0 H VAL A 48 6.027 -0.841 -4.047 1.00 0.00 H new ATOM 0 HA VAL A 48 6.015 1.334 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 48 3.908 0.460 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.073 2.761 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.082 1.839 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.348 3.050 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.726 2.279 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.095 2.540 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.946 1.003 -5.244 1.00 0.00 H new ATOM 691 N GLN A 49 4.483 0.404 -0.377 1.00 0.00 N ATOM 692 CA GLN A 49 3.755 -0.218 0.716 1.00 0.00 C ATOM 693 C GLN A 49 2.601 0.681 1.165 1.00 0.00 C ATOM 694 O GLN A 49 2.775 1.888 1.322 1.00 0.00 O ATOM 695 CB GLN A 49 4.688 -0.537 1.885 1.00 0.00 C ATOM 696 CG GLN A 49 3.945 -1.289 2.991 1.00 0.00 C ATOM 697 CD GLN A 49 4.170 -0.627 4.352 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.221 -0.077 4.637 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.127 -0.709 5.172 1.00 0.00 N ATOM 0 H GLN A 49 4.800 1.355 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 49 3.338 -1.160 0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.526 -1.138 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.104 0.387 2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.879 -1.313 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.287 -2.323 3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.277 -1.184 4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.177 -0.297 6.104 1.00 0.00 H new ATOM 708 N GLY A 50 1.448 0.057 1.359 1.00 0.00 N ATOM 709 CA GLY A 50 0.266 0.786 1.786 1.00 0.00 C ATOM 710 C GLY A 50 -0.263 0.241 3.115 1.00 0.00 C ATOM 711 O GLY A 50 -0.514 -0.956 3.244 1.00 0.00 O ATOM 0 H GLY A 50 1.308 -0.945 1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.505 1.844 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.509 0.709 1.023 1.00 0.00 H new ATOM 715 N SER A 51 -0.417 1.147 4.070 1.00 0.00 N ATOM 716 CA SER A 51 -0.911 0.773 5.384 1.00 0.00 C ATOM 717 C SER A 51 -2.168 1.578 5.719 1.00 0.00 C ATOM 718 O SER A 51 -2.164 2.805 5.635 1.00 0.00 O ATOM 719 CB SER A 51 0.159 0.988 6.456 1.00 0.00 C ATOM 720 OG SER A 51 1.002 2.096 6.155 1.00 0.00 O ATOM 0 H SER A 51 -0.208 2.139 3.959 1.00 0.00 H new ATOM 0 HA SER A 51 -1.161 -0.288 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.322 1.150 7.421 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.765 0.087 6.549 1.00 0.00 H new ATOM 0 HG SER A 51 0.502 2.754 5.629 1.00 0.00 H new ATOM 726 N VAL A 52 -3.213 0.854 6.092 1.00 0.00 N ATOM 727 CA VAL A 52 -4.475 1.486 6.440 1.00 0.00 C ATOM 728 C VAL A 52 -4.828 1.144 7.889 1.00 0.00 C ATOM 729 O VAL A 52 -4.839 -0.025 8.270 1.00 0.00 O ATOM 730 CB VAL A 52 -5.560 1.069 5.446 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.902 0.865 6.153 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.687 2.090 4.313 1.00 0.00 C ATOM 0 H VAL A 52 -3.212 -0.164 6.161 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.391 2.571 6.373 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.264 0.116 5.007 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.656 0.569 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.801 0.085 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.206 1.796 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.465 1.770 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.949 3.063 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.738 2.165 3.783 1.00 0.00 H new ATOM 742 N ALA A 53 -5.109 2.187 8.658 1.00 0.00 N ATOM 743 CA ALA A 53 -5.462 2.012 10.056 1.00 0.00 C ATOM 744 C ALA A 53 -6.922 2.419 10.264 1.00 0.00 C ATOM 745 O ALA A 53 -7.277 3.582 10.084 1.00 0.00 O ATOM 746 CB ALA A 53 -4.501 2.820 10.930 1.00 0.00 C ATOM 0 H ALA A 53 -5.099 3.156 8.339 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.367 0.966 10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.766 2.689 11.979 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.481 2.472 10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.571 3.876 10.667 1.00 0.00 H new ATOM 752 N ASN A 54 -7.729 1.437 10.640 1.00 0.00 N ATOM 753 CA ASN A 54 -9.142 1.678 10.874 1.00 0.00 C ATOM 754 C ASN A 54 -9.443 1.513 12.365 1.00 0.00 C ATOM 755 O ASN A 54 -8.539 1.264 13.160 1.00 0.00 O ATOM 756 CB ASN A 54 -10.007 0.678 10.104 1.00 0.00 C ATOM 757 CG ASN A 54 -9.234 -0.612 9.822 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.517 -1.133 10.661 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.418 -1.096 8.597 1.00 0.00 N ATOM 0 H ASN A 54 -7.431 0.473 10.788 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.372 2.688 10.536 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.905 0.450 10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.334 1.123 9.164 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.945 -1.953 8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -10.032 -0.610 7.944 1.00 0.00 H new ATOM 766 N ARG A 55 -10.717 1.660 12.698 1.00 0.00 N ATOM 767 CA ARG A 55 -11.148 1.531 14.080 1.00 0.00 C ATOM 768 C ARG A 55 -11.318 0.055 14.447 1.00 0.00 C ATOM 769 O ARG A 55 -11.772 -0.267 15.544 1.00 0.00 O ATOM 770 CB ARG A 55 -12.472 2.262 14.315 1.00 0.00 C ATOM 771 CG ARG A 55 -12.288 3.427 15.289 1.00 0.00 C ATOM 772 CD ARG A 55 -13.597 4.200 15.473 1.00 0.00 C ATOM 773 NE ARG A 55 -14.508 3.447 16.364 1.00 0.00 N ATOM 774 CZ ARG A 55 -15.620 3.960 16.907 1.00 0.00 C ATOM 775 NH1 ARG A 55 -15.965 5.230 16.654 1.00 0.00 N ATOM 776 NH2 ARG A 55 -16.386 3.204 17.704 1.00 0.00 N ATOM 0 H ARG A 55 -11.464 1.867 12.035 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.380 1.981 14.710 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.860 2.634 13.367 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.211 1.565 14.711 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.946 3.050 16.253 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.514 4.098 14.917 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.392 5.183 15.896 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.073 4.362 14.506 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.275 2.477 16.578 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.381 5.806 16.048 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.812 5.621 17.067 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.123 2.238 17.898 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.233 3.594 18.118 1.00 0.00 H new ATOM 790 N THR A 56 -10.943 -0.802 13.509 1.00 0.00 N ATOM 791 CA THR A 56 -11.047 -2.236 13.720 1.00 0.00 C ATOM 792 C THR A 56 -9.656 -2.855 13.873 1.00 0.00 C ATOM 793 O THR A 56 -9.515 -3.942 14.431 1.00 0.00 O ATOM 794 CB THR A 56 -11.851 -2.827 12.560 1.00 0.00 C ATOM 795 OG1 THR A 56 -11.047 -2.568 11.413 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.145 -2.055 12.291 1.00 0.00 C ATOM 0 H THR A 56 -10.567 -0.531 12.601 1.00 0.00 H new ATOM 0 HA THR A 56 -11.573 -2.462 14.648 1.00 0.00 H new ATOM 0 HB THR A 56 -12.088 -3.869 12.776 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.493 -2.920 10.615 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.677 -2.516 11.459 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.774 -2.078 13.181 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.907 -1.021 12.041 1.00 0.00 H new ATOM 804 N GLY A 57 -8.665 -2.136 13.367 1.00 0.00 N ATOM 805 CA GLY A 57 -7.290 -2.602 13.441 1.00 0.00 C ATOM 806 C GLY A 57 -6.401 -1.844 12.452 1.00 0.00 C ATOM 807 O GLY A 57 -6.302 -0.619 12.514 1.00 0.00 O ATOM 0 H GLY A 57 -8.786 -1.235 12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.910 -2.467 14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.252 -3.670 13.226 1.00 0.00 H new ATOM 811 N SER A 58 -5.777 -2.604 11.564 1.00 0.00 N ATOM 812 CA SER A 58 -4.900 -2.019 10.564 1.00 0.00 C ATOM 813 C SER A 58 -4.610 -3.040 9.462 1.00 0.00 C ATOM 814 O SER A 58 -4.463 -4.230 9.736 1.00 0.00 O ATOM 815 CB SER A 58 -3.593 -1.533 11.194 1.00 0.00 C ATOM 816 OG SER A 58 -2.877 -2.593 11.822 1.00 0.00 O ATOM 0 H SER A 58 -5.861 -3.619 11.516 1.00 0.00 H new ATOM 0 HA SER A 58 -5.405 -1.156 10.129 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.967 -1.078 10.426 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.811 -0.758 11.928 1.00 0.00 H new ATOM 0 HG SER A 58 -2.048 -2.243 12.210 1.00 0.00 H new ATOM 822 N VAL A 59 -4.537 -2.537 8.238 1.00 0.00 N ATOM 823 CA VAL A 59 -4.268 -3.390 7.093 1.00 0.00 C ATOM 824 C VAL A 59 -3.023 -2.880 6.365 1.00 0.00 C ATOM 825 O VAL A 59 -2.673 -1.705 6.473 1.00 0.00 O ATOM 826 CB VAL A 59 -5.501 -3.460 6.191 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.407 -4.626 6.591 1.00 0.00 C ATOM 828 CG2 VAL A 59 -6.270 -2.137 6.210 1.00 0.00 C ATOM 0 H VAL A 59 -4.660 -1.549 8.015 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.061 -4.410 7.417 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.160 -3.635 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.276 -4.653 5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.856 -5.562 6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.735 -4.495 7.622 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.142 -2.214 5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.594 -1.919 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.623 -1.335 5.855 1.00 0.00 H new ATOM 838 N GLU A 60 -2.387 -3.788 5.639 1.00 0.00 N ATOM 839 CA GLU A 60 -1.189 -3.445 4.892 1.00 0.00 C ATOM 840 C GLU A 60 -1.179 -4.166 3.543 1.00 0.00 C ATOM 841 O GLU A 60 -1.787 -5.225 3.397 1.00 0.00 O ATOM 842 CB GLU A 60 0.071 -3.771 5.698 1.00 0.00 C ATOM 843 CG GLU A 60 0.186 -2.865 6.925 1.00 0.00 C ATOM 844 CD GLU A 60 1.474 -3.153 7.700 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.525 -2.634 7.266 1.00 0.00 O ATOM 846 OE2 GLU A 60 1.378 -3.886 8.708 1.00 0.00 O ATOM 0 H GLU A 60 -2.679 -4.761 5.552 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.195 -2.371 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.046 -4.814 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.952 -3.649 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.171 -1.821 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.676 -3.016 7.575 1.00 0.00 H new ATOM 853 N ALA A 61 -0.481 -3.563 2.591 1.00 0.00 N ATOM 854 CA ALA A 61 -0.384 -4.135 1.259 1.00 0.00 C ATOM 855 C ALA A 61 0.807 -3.513 0.528 1.00 0.00 C ATOM 856 O ALA A 61 1.097 -2.330 0.699 1.00 0.00 O ATOM 857 CB ALA A 61 -1.703 -3.920 0.513 1.00 0.00 C ATOM 0 H ALA A 61 0.022 -2.685 2.716 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.213 -5.210 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.630 -4.349 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.513 -4.405 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.907 -2.852 0.435 1.00 0.00 H new ATOM 863 N GLN A 62 1.466 -4.339 -0.272 1.00 0.00 N ATOM 864 CA GLN A 62 2.620 -3.885 -1.030 1.00 0.00 C ATOM 865 C GLN A 62 2.570 -4.440 -2.455 1.00 0.00 C ATOM 866 O GLN A 62 1.717 -5.266 -2.774 1.00 0.00 O ATOM 867 CB GLN A 62 3.923 -4.279 -0.333 1.00 0.00 C ATOM 868 CG GLN A 62 3.966 -3.738 1.097 1.00 0.00 C ATOM 869 CD GLN A 62 4.508 -4.791 2.066 1.00 0.00 C ATOM 870 OE1 GLN A 62 5.610 -5.295 1.923 1.00 0.00 O ATOM 871 NE2 GLN A 62 3.675 -5.095 3.057 1.00 0.00 N ATOM 0 H GLN A 62 1.223 -5.320 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 62 2.590 -2.797 -1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.017 -5.365 -0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.772 -3.893 -0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.594 -2.848 1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.965 -3.436 1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.766 -4.636 3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.945 -5.787 3.756 1.00 0.00 H new ATOM 880 N THR A 63 3.496 -3.963 -3.274 1.00 0.00 N ATOM 881 CA THR A 63 3.569 -4.401 -4.658 1.00 0.00 C ATOM 882 C THR A 63 4.831 -5.234 -4.888 1.00 0.00 C ATOM 883 O THR A 63 5.677 -5.345 -4.001 1.00 0.00 O ATOM 884 CB THR A 63 3.488 -3.162 -5.551 1.00 0.00 C ATOM 885 OG1 THR A 63 4.521 -2.312 -5.061 1.00 0.00 O ATOM 886 CG2 THR A 63 2.206 -2.359 -5.323 1.00 0.00 C ATOM 0 H THR A 63 4.202 -3.278 -3.006 1.00 0.00 H new ATOM 0 HA THR A 63 2.735 -5.056 -4.910 1.00 0.00 H new ATOM 0 HB THR A 63 3.546 -3.464 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.169 -2.140 -5.775 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.199 -1.490 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.341 -2.986 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.164 -2.028 -4.285 1.00 0.00 H new ATOM 894 N ALA A 64 4.920 -5.799 -6.083 1.00 0.00 N ATOM 895 CA ALA A 64 6.065 -6.618 -6.441 1.00 0.00 C ATOM 896 C ALA A 64 7.328 -5.754 -6.433 1.00 0.00 C ATOM 897 O ALA A 64 7.312 -4.623 -6.915 1.00 0.00 O ATOM 898 CB ALA A 64 5.817 -7.277 -7.800 1.00 0.00 C ATOM 0 H ALA A 64 4.217 -5.705 -6.816 1.00 0.00 H new ATOM 0 HA ALA A 64 6.208 -7.417 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.676 -7.892 -8.069 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.927 -7.903 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.671 -6.506 -8.557 1.00 0.00 H new ATOM 904 N LEU A 65 8.390 -6.320 -5.881 1.00 0.00 N ATOM 905 CA LEU A 65 9.659 -5.616 -5.804 1.00 0.00 C ATOM 906 C LEU A 65 10.175 -5.348 -7.219 1.00 0.00 C ATOM 907 O LEU A 65 10.182 -6.245 -8.061 1.00 0.00 O ATOM 908 CB LEU A 65 10.647 -6.385 -4.924 1.00 0.00 C ATOM 909 CG LEU A 65 10.451 -6.243 -3.414 1.00 0.00 C ATOM 910 CD1 LEU A 65 9.787 -7.491 -2.827 1.00 0.00 C ATOM 911 CD2 LEU A 65 11.773 -5.916 -2.717 1.00 0.00 C ATOM 0 H LEU A 65 8.398 -7.259 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 65 9.528 -4.647 -5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.585 -7.443 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.656 -6.056 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 65 9.777 -5.405 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.659 -7.364 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.813 -7.638 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.415 -8.361 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.605 -5.820 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.490 -6.716 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.168 -4.978 -3.107 1.00 0.00 H new ATOM 923 N LYS A 66 10.595 -4.110 -7.437 1.00 0.00 N ATOM 924 CA LYS A 66 11.111 -3.713 -8.736 1.00 0.00 C ATOM 925 C LYS A 66 12.474 -3.043 -8.554 1.00 0.00 C ATOM 926 O LYS A 66 12.750 -2.462 -7.506 1.00 0.00 O ATOM 927 CB LYS A 66 10.092 -2.844 -9.475 1.00 0.00 C ATOM 928 CG LYS A 66 8.853 -3.656 -9.856 1.00 0.00 C ATOM 929 CD LYS A 66 8.459 -3.406 -11.313 1.00 0.00 C ATOM 930 CE LYS A 66 6.991 -3.761 -11.554 1.00 0.00 C ATOM 931 NZ LYS A 66 6.598 -4.926 -10.729 1.00 0.00 N ATOM 0 H LYS A 66 10.588 -3.369 -6.736 1.00 0.00 H new ATOM 0 HA LYS A 66 11.266 -4.587 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.801 -2.003 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.548 -2.427 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.050 -4.718 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.024 -3.390 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.629 -2.359 -11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.093 -4.000 -11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.359 -2.906 -11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.833 -3.985 -12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.754 -5.373 -11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.378 -5.614 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.386 -4.610 -9.761 1.00 0.00 H new ATOM 945 N LYS A 67 13.292 -3.145 -9.592 1.00 0.00 N ATOM 946 CA LYS A 67 14.619 -2.556 -9.560 1.00 0.00 C ATOM 947 C LYS A 67 14.497 -1.031 -9.600 1.00 0.00 C ATOM 948 O LYS A 67 13.656 -0.491 -10.317 1.00 0.00 O ATOM 949 CB LYS A 67 15.488 -3.132 -10.680 1.00 0.00 C ATOM 950 CG LYS A 67 15.559 -2.172 -11.869 1.00 0.00 C ATOM 951 CD LYS A 67 14.214 -2.095 -12.593 1.00 0.00 C ATOM 952 CE LYS A 67 14.019 -3.299 -13.517 1.00 0.00 C ATOM 953 NZ LYS A 67 13.523 -2.861 -14.840 1.00 0.00 N ATOM 0 H LYS A 67 13.060 -3.627 -10.460 1.00 0.00 H new ATOM 0 HA LYS A 67 15.126 -2.812 -8.630 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.493 -3.324 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.081 -4.089 -11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.847 -1.179 -11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.331 -2.504 -12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.406 -2.058 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.162 -1.174 -13.174 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.963 -3.832 -13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.312 -3.997 -13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.396 -3.690 -15.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.612 -2.372 -14.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.212 -2.212 -15.272 1.00 0.00 H new ATOM 967 N ARG A 68 15.348 -0.381 -8.820 1.00 0.00 N ATOM 968 CA ARG A 68 15.346 1.071 -8.757 1.00 0.00 C ATOM 969 C ARG A 68 15.485 1.663 -10.161 1.00 0.00 C ATOM 970 O ARG A 68 16.345 1.243 -10.934 1.00 0.00 O ATOM 971 CB ARG A 68 16.487 1.586 -7.878 1.00 0.00 C ATOM 972 CG ARG A 68 17.848 1.230 -8.482 1.00 0.00 C ATOM 973 CD ARG A 68 18.743 0.542 -7.449 1.00 0.00 C ATOM 974 NE ARG A 68 18.962 -0.871 -7.832 1.00 0.00 N ATOM 975 CZ ARG A 68 19.625 -1.258 -8.929 1.00 0.00 C ATOM 976 NH1 ARG A 68 20.138 -0.341 -9.760 1.00 0.00 N ATOM 977 NH2 ARG A 68 19.776 -2.563 -9.196 1.00 0.00 N ATOM 0 H ARG A 68 16.044 -0.833 -8.226 1.00 0.00 H new ATOM 0 HA ARG A 68 14.397 1.383 -8.320 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.406 2.667 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 68 16.404 1.156 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.708 0.574 -9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.336 2.134 -8.847 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.699 1.061 -7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.281 0.593 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 68 18.584 -1.596 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.024 0.652 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 68 20.643 -0.636 -10.596 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.386 -3.261 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.281 -2.857 -10.032 1.00 0.00 H new ATOM 991 N GLN A 69 14.626 2.630 -10.449 1.00 0.00 N ATOM 992 CA GLN A 69 14.643 3.285 -11.746 1.00 0.00 C ATOM 993 C GLN A 69 14.282 4.764 -11.599 1.00 0.00 C ATOM 994 O GLN A 69 13.647 5.158 -10.622 1.00 0.00 O ATOM 995 CB GLN A 69 13.698 2.585 -12.725 1.00 0.00 C ATOM 996 CG GLN A 69 14.399 1.418 -13.424 1.00 0.00 C ATOM 997 CD GLN A 69 15.572 1.912 -14.274 1.00 0.00 C ATOM 998 OE1 GLN A 69 15.481 2.893 -14.993 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.675 1.180 -14.151 1.00 0.00 N ATOM 0 H GLN A 69 13.914 2.976 -9.806 1.00 0.00 H new ATOM 0 HA GLN A 69 15.652 3.216 -12.153 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.821 2.220 -12.191 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.344 3.299 -13.468 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.758 0.707 -12.680 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.687 0.886 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.683 0.370 -13.531 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.513 1.428 -14.677 1.00 0.00 H new ATOM 1008 N LEU A 70 14.703 5.544 -12.584 1.00 0.00 N ATOM 1009 CA LEU A 70 14.432 6.971 -12.576 1.00 0.00 C ATOM 1010 C LEU A 70 12.924 7.199 -12.457 1.00 0.00 C ATOM 1011 O LEU A 70 12.485 8.282 -12.072 1.00 0.00 O ATOM 1012 CB LEU A 70 15.061 7.642 -13.799 1.00 0.00 C ATOM 1013 CG LEU A 70 15.229 9.161 -13.719 1.00 0.00 C ATOM 1014 CD1 LEU A 70 16.402 9.629 -14.582 1.00 0.00 C ATOM 1015 CD2 LEU A 70 13.927 9.877 -14.084 1.00 0.00 C ATOM 0 H LEU A 70 15.230 5.214 -13.393 1.00 0.00 H new ATOM 0 HA LEU A 70 14.895 7.442 -11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 70 16.041 7.197 -13.969 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.450 7.409 -14.671 1.00 0.00 H new ATOM 0 HG LEU A 70 15.463 9.425 -12.688 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.499 10.712 -14.507 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.321 9.157 -14.234 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.223 9.352 -15.621 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.074 10.955 -14.019 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.638 9.611 -15.101 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.140 9.576 -13.393 1.00 0.00 H new ATOM 1027 N HIS A 71 12.173 6.162 -12.794 1.00 0.00 N ATOM 1028 CA HIS A 71 10.723 6.235 -12.730 1.00 0.00 C ATOM 1029 C HIS A 71 10.135 4.823 -12.766 1.00 0.00 C ATOM 1030 O HIS A 71 9.704 4.353 -13.818 1.00 0.00 O ATOM 1031 CB HIS A 71 10.174 7.135 -13.839 1.00 0.00 C ATOM 1032 CG HIS A 71 8.693 7.407 -13.733 1.00 0.00 C ATOM 1033 ND1 HIS A 71 7.874 7.540 -14.841 1.00 0.00 N ATOM 1034 CD2 HIS A 71 7.892 7.568 -12.641 1.00 0.00 C ATOM 1035 CE1 HIS A 71 6.639 7.771 -14.423 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.652 7.789 -13.059 1.00 0.00 N ATOM 0 H HIS A 71 12.541 5.266 -13.113 1.00 0.00 H new ATOM 0 HA HIS A 71 10.420 6.693 -11.788 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.709 8.084 -13.821 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.380 6.672 -14.804 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.171 7.472 -15.814 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.213 7.523 -11.611 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.773 7.919 -15.052 1.00 0.00 H new ATOM 1044 N THR A 72 10.136 4.186 -11.605 1.00 0.00 N ATOM 1045 CA THR A 72 9.609 2.837 -11.490 1.00 0.00 C ATOM 1046 C THR A 72 8.080 2.855 -11.552 1.00 0.00 C ATOM 1047 O THR A 72 7.452 3.842 -11.171 1.00 0.00 O ATOM 1048 CB THR A 72 10.157 2.222 -10.201 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.571 2.242 -10.381 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.819 0.736 -10.071 1.00 0.00 C ATOM 0 H THR A 72 10.494 4.579 -10.735 1.00 0.00 H new ATOM 0 HA THR A 72 9.930 2.215 -12.325 1.00 0.00 H new ATOM 0 HB THR A 72 9.756 2.761 -9.343 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.007 1.862 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.231 0.349 -9.139 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.737 0.608 -10.070 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.248 0.190 -10.911 1.00 0.00 H new ATOM 1058 N THR A 73 7.526 1.753 -12.035 1.00 0.00 N ATOM 1059 CA THR A 73 6.083 1.630 -12.152 1.00 0.00 C ATOM 1060 C THR A 73 5.644 0.197 -11.846 1.00 0.00 C ATOM 1061 O THR A 73 6.429 -0.740 -11.981 1.00 0.00 O ATOM 1062 CB THR A 73 5.680 2.103 -13.550 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.546 1.385 -14.423 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.036 3.571 -13.796 1.00 0.00 C ATOM 0 H THR A 73 8.051 0.937 -12.350 1.00 0.00 H new ATOM 0 HA THR A 73 5.572 2.257 -11.421 1.00 0.00 H new ATOM 0 HB THR A 73 4.608 1.961 -13.686 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.351 1.631 -15.352 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.729 3.856 -14.802 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.520 4.197 -13.068 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.113 3.706 -13.693 1.00 0.00 H new ATOM 1072 N TRP A 74 4.389 0.071 -11.438 1.00 0.00 N ATOM 1073 CA TRP A 74 3.836 -1.232 -11.111 1.00 0.00 C ATOM 1074 C TRP A 74 2.564 -1.427 -11.939 1.00 0.00 C ATOM 1075 O TRP A 74 2.021 -0.467 -12.484 1.00 0.00 O ATOM 1076 CB TRP A 74 3.595 -1.364 -9.606 1.00 0.00 C ATOM 1077 CG TRP A 74 4.876 -1.385 -8.770 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.570 -2.452 -8.350 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.592 -0.238 -8.265 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.677 -2.078 -7.616 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.691 -0.689 -7.562 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.321 1.135 -8.399 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.606 0.167 -6.938 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.245 1.978 -7.769 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.356 1.539 -7.057 1.00 0.00 C ATOM 0 H TRP A 74 3.740 0.850 -11.327 1.00 0.00 H new ATOM 0 HA TRP A 74 4.541 -2.024 -11.363 1.00 0.00 H new ATOM 0 HB2 TRP A 74 2.971 -0.534 -9.274 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.035 -2.280 -9.417 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.297 -3.476 -8.560 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.360 -2.706 -7.191 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.468 1.510 -8.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.459 -0.211 -6.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.083 3.043 -7.841 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.023 2.254 -6.598 1.00 0.00 H new ATOM 1096 N GLU A 75 2.127 -2.676 -12.008 1.00 0.00 N ATOM 1097 CA GLU A 75 0.929 -3.009 -12.761 1.00 0.00 C ATOM 1098 C GLU A 75 -0.308 -2.895 -11.868 1.00 0.00 C ATOM 1099 O GLU A 75 -1.318 -2.321 -12.271 1.00 0.00 O ATOM 1100 CB GLU A 75 1.037 -4.407 -13.373 1.00 0.00 C ATOM 1101 CG GLU A 75 1.350 -4.328 -14.869 1.00 0.00 C ATOM 1102 CD GLU A 75 1.673 -5.712 -15.435 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.708 -6.479 -15.644 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.877 -5.972 -15.645 1.00 0.00 O ATOM 0 H GLU A 75 2.581 -3.469 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 75 0.828 -2.297 -13.580 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.818 -4.971 -12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.103 -4.947 -13.221 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.498 -3.903 -15.400 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.194 -3.658 -15.033 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.188 -3.452 -10.672 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.284 -3.421 -9.718 1.00 0.00 C ATOM 1113 C GLU A 76 -1.050 -2.325 -8.677 1.00 0.00 C ATOM 1114 O GLU A 76 0.017 -1.714 -8.642 1.00 0.00 O ATOM 1115 CB GLU A 76 -1.467 -4.784 -9.048 1.00 0.00 C ATOM 1116 CG GLU A 76 -0.280 -5.112 -8.139 1.00 0.00 C ATOM 1117 CD GLU A 76 -0.525 -6.408 -7.364 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -0.405 -7.479 -7.997 1.00 0.00 O ATOM 1119 OE2 GLU A 76 -0.826 -6.298 -6.156 1.00 0.00 O ATOM 0 H GLU A 76 0.652 -3.928 -10.341 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.203 -3.192 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.388 -4.786 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.571 -5.557 -9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.626 -5.208 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.115 -4.292 -7.440 1.00 0.00 H new ATOM 1126 N GLY A 77 -2.066 -2.108 -7.854 1.00 0.00 N ATOM 1127 CA GLY A 77 -1.985 -1.096 -6.815 1.00 0.00 C ATOM 1128 C GLY A 77 -2.071 -1.730 -5.425 1.00 0.00 C ATOM 1129 O GLY A 77 -1.988 -2.949 -5.288 1.00 0.00 O ATOM 0 H GLY A 77 -2.950 -2.616 -7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.049 -0.546 -6.910 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.793 -0.375 -6.941 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.236 -0.873 -4.428 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.334 -1.333 -3.053 1.00 0.00 C ATOM 1135 C LEU A 78 -3.780 -1.189 -2.574 1.00 0.00 C ATOM 1136 O LEU A 78 -4.298 -0.078 -2.478 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.318 -0.605 -2.171 1.00 0.00 C ATOM 1138 CG LEU A 78 0.128 -0.608 -2.671 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.980 0.392 -1.887 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.719 -2.019 -2.633 1.00 0.00 C ATOM 0 H LEU A 78 -2.304 0.138 -4.545 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.079 -2.391 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.640 0.430 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.339 -1.055 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 78 0.130 -0.287 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.003 0.370 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.570 1.394 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.975 0.125 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.747 -1.993 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.703 -2.393 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.128 -2.678 -3.269 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.391 -2.329 -2.285 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.766 -2.344 -1.818 1.00 0.00 C ATOM 1154 C VAL A 79 -5.803 -2.830 -0.368 1.00 0.00 C ATOM 1155 O VAL A 79 -5.128 -3.796 -0.016 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.628 -3.193 -2.755 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.769 -4.186 -3.541 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.731 -3.917 -1.980 1.00 0.00 C ATOM 0 H VAL A 79 -3.958 -3.249 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.185 -1.338 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.105 -2.523 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.406 -4.777 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.037 -3.641 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.251 -4.848 -2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.329 -4.513 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.282 -4.570 -1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.369 -3.185 -1.486 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.598 -2.137 0.435 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.731 -2.486 1.839 1.00 0.00 C ATOM 1170 C LEU A 80 -8.211 -2.475 2.225 1.00 0.00 C ATOM 1171 O LEU A 80 -8.976 -1.640 1.743 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.863 -1.569 2.703 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.471 -1.249 2.154 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -4.266 0.261 2.027 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.382 -1.906 3.005 1.00 0.00 C ATOM 0 H LEU A 80 -7.156 -1.336 0.140 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.363 -3.496 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.397 -0.631 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.748 -2.030 3.684 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.394 -1.670 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.269 0.461 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.013 0.674 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.370 0.726 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.402 -1.663 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.447 -1.536 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.519 -2.987 3.000 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.581 -3.436 3.113 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.957 -3.544 3.569 1.00 0.00 C ATOM 1189 C PRO A 81 -10.290 -2.439 4.573 1.00 0.00 C ATOM 1190 O PRO A 81 -9.583 -2.263 5.564 1.00 0.00 O ATOM 1191 CB PRO A 81 -10.066 -4.939 4.162 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.640 -5.387 4.438 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.703 -4.442 3.704 1.00 0.00 C ATOM 0 HA PRO A 81 -10.679 -3.411 2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.656 -4.929 5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.562 -5.620 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.436 -5.372 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.490 -6.412 4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.984 -3.989 4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.130 -4.967 2.939 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.367 -1.724 4.282 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.802 -0.642 5.148 1.00 0.00 C ATOM 1203 C LEU A 82 -13.315 -0.461 5.009 1.00 0.00 C ATOM 1204 O LEU A 82 -13.899 -0.839 3.995 1.00 0.00 O ATOM 1205 CB LEU A 82 -11.002 0.630 4.859 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.494 1.903 5.550 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.153 1.884 7.042 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -10.947 3.151 4.854 1.00 0.00 C ATOM 0 H LEU A 82 -11.951 -1.873 3.459 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.604 -0.886 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.966 0.458 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -11.005 0.800 3.782 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.580 1.938 5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.514 2.800 7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.629 1.024 7.513 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.073 1.814 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.312 4.042 5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.858 3.136 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.281 3.165 3.817 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.907 0.118 6.043 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.341 0.354 6.050 1.00 0.00 C ATOM 1222 C ALA A 83 -15.611 1.837 5.788 1.00 0.00 C ATOM 1223 O ALA A 83 -14.935 2.702 6.342 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.931 -0.120 7.380 1.00 0.00 C ATOM 0 H ALA A 83 -13.419 0.431 6.883 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.827 -0.215 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.006 0.057 7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.738 -1.186 7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.469 0.430 8.200 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.601 2.085 4.943 1.00 0.00 N ATOM 1231 CA GLU A 84 -16.968 3.449 4.601 1.00 0.00 C ATOM 1232 C GLU A 84 -17.234 4.261 5.870 1.00 0.00 C ATOM 1233 O GLU A 84 -17.128 5.486 5.860 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.182 3.472 3.670 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.338 4.842 3.007 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.807 5.270 2.972 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.454 5.165 4.036 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.249 5.693 1.882 1.00 0.00 O ATOM 0 H GLU A 84 -17.160 1.365 4.485 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.134 3.907 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.072 2.704 2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.083 3.233 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.753 5.583 3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.942 4.806 1.992 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.575 3.545 6.932 1.00 0.00 N ATOM 1246 CA GLU A 85 -17.856 4.185 8.206 1.00 0.00 C ATOM 1247 C GLU A 85 -16.553 4.489 8.947 1.00 0.00 C ATOM 1248 O GLU A 85 -16.562 5.169 9.972 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.784 3.318 9.060 1.00 0.00 C ATOM 1250 CG GLU A 85 -17.987 2.285 9.859 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.828 1.035 10.131 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -18.982 0.238 9.181 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -19.297 0.906 11.282 1.00 0.00 O ATOM 0 H GLU A 85 -17.663 2.529 6.936 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.368 5.128 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.353 3.950 9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.505 2.810 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.087 2.010 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.662 2.722 10.803 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.464 3.970 8.400 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.155 4.177 8.996 1.00 0.00 C ATOM 1262 C GLU A 86 -13.272 5.009 8.064 1.00 0.00 C ATOM 1263 O GLU A 86 -12.091 5.212 8.339 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.489 2.842 9.335 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.496 1.867 9.947 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.832 0.989 11.010 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -13.066 0.088 10.604 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.106 1.237 12.204 1.00 0.00 O ATOM 0 H GLU A 86 -15.461 3.406 7.550 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.285 4.727 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.058 2.407 8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.668 3.008 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.321 2.423 10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.921 1.238 9.164 1.00 0.00 H new ATOM 1275 N LEU A 87 -13.880 5.469 6.980 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.164 6.274 6.005 1.00 0.00 C ATOM 1277 C LEU A 87 -12.594 7.515 6.695 1.00 0.00 C ATOM 1278 O LEU A 87 -11.406 7.809 6.568 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.064 6.595 4.810 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.062 5.569 3.674 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.221 5.819 2.708 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.711 5.549 2.957 1.00 0.00 C ATOM 0 H LEU A 87 -14.860 5.299 6.756 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.319 5.717 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.087 6.707 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.763 7.560 4.402 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.212 4.579 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.197 5.076 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.166 5.743 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.128 6.816 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.736 4.812 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.507 6.534 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.926 5.286 3.667 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.489 8.227 7.430 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.087 9.429 8.140 1.00 0.00 C ATOM 1296 C PRO A 88 -12.283 9.081 9.395 1.00 0.00 C ATOM 1297 O PRO A 88 -11.597 9.936 9.954 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.386 10.156 8.450 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.487 9.117 8.316 1.00 0.00 C ATOM 1300 CD PRO A 88 -14.903 7.908 7.603 1.00 0.00 C ATOM 0 HA PRO A 88 -12.422 10.062 7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.367 10.578 9.455 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.544 10.984 7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.867 8.834 9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.328 9.522 7.754 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.035 7.000 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.391 7.740 6.643 1.00 0.00 H new ATOM 1308 N THR A 89 -12.393 7.824 9.800 1.00 0.00 N ATOM 1309 CA THR A 89 -11.684 7.353 10.978 1.00 0.00 C ATOM 1310 C THR A 89 -10.558 6.399 10.576 1.00 0.00 C ATOM 1311 O THR A 89 -10.169 5.529 11.354 1.00 0.00 O ATOM 1312 CB THR A 89 -12.707 6.722 11.924 1.00 0.00 C ATOM 1313 OG1 THR A 89 -12.882 5.402 11.415 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.093 7.357 11.796 1.00 0.00 C ATOM 0 H THR A 89 -12.962 7.118 9.334 1.00 0.00 H new ATOM 0 HA THR A 89 -11.198 8.175 11.503 1.00 0.00 H new ATOM 0 HB THR A 89 -12.358 6.817 12.952 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.649 4.981 11.855 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.781 6.872 12.489 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.030 8.419 12.031 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.458 7.232 10.776 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.065 6.593 9.361 1.00 0.00 N ATOM 1323 CA ALA A 90 -8.992 5.761 8.847 1.00 0.00 C ATOM 1324 C ALA A 90 -8.002 6.633 8.072 1.00 0.00 C ATOM 1325 O ALA A 90 -8.346 7.730 7.635 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.581 4.642 7.986 1.00 0.00 C ATOM 0 H ALA A 90 -10.390 7.315 8.718 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.446 5.290 9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.775 4.017 7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.254 4.034 8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.134 5.076 7.153 1.00 0.00 H new ATOM 1332 N THR A 91 -6.792 6.113 7.925 1.00 0.00 N ATOM 1333 CA THR A 91 -5.751 6.831 7.210 1.00 0.00 C ATOM 1334 C THR A 91 -4.854 5.852 6.449 1.00 0.00 C ATOM 1335 O THR A 91 -4.515 4.787 6.963 1.00 0.00 O ATOM 1336 CB THR A 91 -4.990 7.691 8.221 1.00 0.00 C ATOM 1337 OG1 THR A 91 -5.987 8.085 9.161 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.504 9.010 7.619 1.00 0.00 C ATOM 0 H THR A 91 -6.510 5.203 8.289 1.00 0.00 H new ATOM 0 HA THR A 91 -6.175 7.491 6.453 1.00 0.00 H new ATOM 0 HB THR A 91 -4.137 7.131 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.580 8.645 9.854 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.970 9.582 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.835 8.804 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.359 9.586 7.266 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.496 6.247 5.237 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.645 5.418 4.400 1.00 0.00 C ATOM 1348 C LEU A 92 -2.240 6.022 4.352 1.00 0.00 C ATOM 1349 O LEU A 92 -2.039 7.090 3.774 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.278 5.222 3.021 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.439 4.448 2.002 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.779 5.398 1.001 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.416 3.551 2.702 1.00 0.00 C ATOM 0 H LEU A 92 -4.780 7.131 4.814 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.548 4.419 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.228 4.703 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.505 6.203 2.605 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.104 3.796 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.189 4.822 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.548 5.957 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.129 6.093 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.833 3.012 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.750 4.164 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.935 2.837 3.341 1.00 0.00 H new ATOM 1365 N THR A 93 -1.304 5.313 4.965 1.00 0.00 N ATOM 1366 CA THR A 93 0.076 5.766 4.999 1.00 0.00 C ATOM 1367 C THR A 93 0.948 4.887 4.100 1.00 0.00 C ATOM 1368 O THR A 93 1.197 3.725 4.415 1.00 0.00 O ATOM 1369 CB THR A 93 0.532 5.782 6.460 1.00 0.00 C ATOM 1370 OG1 THR A 93 0.010 7.004 6.973 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.048 5.937 6.598 1.00 0.00 C ATOM 0 H THR A 93 -1.474 4.428 5.442 1.00 0.00 H new ATOM 0 HA THR A 93 0.171 6.777 4.602 1.00 0.00 H new ATOM 0 HB THR A 93 0.215 4.861 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.257 7.095 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.319 5.942 7.654 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.546 5.105 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.361 6.874 6.138 1.00 0.00 H new ATOM 1379 N LEU A 94 1.388 5.477 2.998 1.00 0.00 N ATOM 1380 CA LEU A 94 2.226 4.762 2.051 1.00 0.00 C ATOM 1381 C LEU A 94 3.669 4.753 2.560 1.00 0.00 C ATOM 1382 O LEU A 94 4.128 5.727 3.153 1.00 0.00 O ATOM 1383 CB LEU A 94 2.073 5.353 0.648 1.00 0.00 C ATOM 1384 CG LEU A 94 0.648 5.404 0.094 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.543 6.407 -1.057 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.168 4.010 -0.315 1.00 0.00 C ATOM 0 H LEU A 94 1.180 6.442 2.740 1.00 0.00 H new ATOM 0 HA LEU A 94 1.909 3.722 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.475 6.366 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.688 4.772 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.014 5.752 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.480 6.424 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.815 7.400 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.219 6.112 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.848 4.075 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.828 3.609 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.182 3.351 0.553 1.00 0.00 H new ATOM 1398 N THR A 95 4.344 3.641 2.309 1.00 0.00 N ATOM 1399 CA THR A 95 5.725 3.491 2.734 1.00 0.00 C ATOM 1400 C THR A 95 6.551 2.817 1.637 1.00 0.00 C ATOM 1401 O THR A 95 6.099 1.856 1.017 1.00 0.00 O ATOM 1402 CB THR A 95 5.732 2.724 4.058 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.355 2.469 4.318 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.179 3.593 5.236 1.00 0.00 C ATOM 0 H THR A 95 3.960 2.835 1.816 1.00 0.00 H new ATOM 0 HA THR A 95 6.194 4.460 2.901 1.00 0.00 H new ATOM 0 HB THR A 95 6.391 1.860 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.266 1.987 5.167 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.166 3.000 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.190 3.959 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.500 4.439 5.342 1.00 0.00 H new ATOM 1412 N LEU A 96 7.748 3.347 1.431 1.00 0.00 N ATOM 1413 CA LEU A 96 8.641 2.809 0.420 1.00 0.00 C ATOM 1414 C LEU A 96 9.869 2.202 1.101 1.00 0.00 C ATOM 1415 O LEU A 96 10.806 2.917 1.453 1.00 0.00 O ATOM 1416 CB LEU A 96 8.981 3.879 -0.620 1.00 0.00 C ATOM 1417 CG LEU A 96 8.548 3.580 -2.056 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.514 4.859 -2.896 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.437 2.505 -2.685 1.00 0.00 C ATOM 0 H LEU A 96 8.120 4.144 1.948 1.00 0.00 H new ATOM 0 HA LEU A 96 8.152 2.006 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.521 4.817 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.060 4.035 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 96 7.533 3.184 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.203 4.618 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.807 5.564 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.507 5.307 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.107 2.312 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.471 2.849 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.367 1.587 -2.101 1.00 0.00 H new ATOM 1431 N ARG A 97 9.825 0.888 1.267 1.00 0.00 N ATOM 1432 CA ARG A 97 10.922 0.176 1.900 1.00 0.00 C ATOM 1433 C ARG A 97 11.834 -0.445 0.840 1.00 0.00 C ATOM 1434 O ARG A 97 11.423 -0.634 -0.304 1.00 0.00 O ATOM 1435 CB ARG A 97 10.403 -0.926 2.825 1.00 0.00 C ATOM 1436 CG ARG A 97 9.795 -0.332 4.098 1.00 0.00 C ATOM 1437 CD ARG A 97 8.300 -0.646 4.188 1.00 0.00 C ATOM 1438 NE ARG A 97 7.855 -0.585 5.598 1.00 0.00 N ATOM 1439 CZ ARG A 97 8.033 -1.573 6.486 1.00 0.00 C ATOM 1440 NH1 ARG A 97 8.647 -2.705 6.114 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.596 -1.431 7.744 1.00 0.00 N ATOM 0 H ARG A 97 9.046 0.298 0.974 1.00 0.00 H new ATOM 0 HA ARG A 97 11.486 0.896 2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.654 -1.521 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.219 -1.600 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.308 -0.733 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.945 0.748 4.108 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.733 0.066 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.103 -1.636 3.778 1.00 0.00 H new ATOM 0 HE ARG A 97 7.383 0.262 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.978 -2.814 5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.783 -3.457 6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.127 -0.570 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.732 -2.183 8.419 1.00 0.00 H new ATOM 1455 N THR A 98 13.055 -0.745 1.257 1.00 0.00 N ATOM 1456 CA THR A 98 14.028 -1.341 0.358 1.00 0.00 C ATOM 1457 C THR A 98 14.327 -2.783 0.774 1.00 0.00 C ATOM 1458 O THR A 98 14.541 -3.060 1.953 1.00 0.00 O ATOM 1459 CB THR A 98 15.268 -0.444 0.342 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.384 0.013 1.686 1.00 0.00 O ATOM 1461 CG2 THR A 98 15.055 0.835 -0.470 1.00 0.00 C ATOM 0 H THR A 98 13.393 -0.586 2.206 1.00 0.00 H new ATOM 0 HA THR A 98 13.640 -1.403 -0.659 1.00 0.00 H new ATOM 0 HB THR A 98 16.111 -0.999 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.165 0.600 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.965 1.435 -0.449 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.815 0.576 -1.501 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.233 1.407 -0.039 1.00 0.00 H new ATOM 1469 N CYS A 99 14.331 -3.662 -0.216 1.00 0.00 N ATOM 1470 CA CYS A 99 14.599 -5.069 0.032 1.00 0.00 C ATOM 1471 C CYS A 99 15.741 -5.168 1.046 1.00 0.00 C ATOM 1472 O CYS A 99 16.659 -4.350 1.034 1.00 0.00 O ATOM 1473 CB CYS A 99 14.917 -5.821 -1.261 1.00 0.00 C ATOM 1474 SG CYS A 99 15.627 -7.462 -0.872 1.00 0.00 S ATOM 0 H CYS A 99 14.153 -3.428 -1.193 1.00 0.00 H new ATOM 0 HA CYS A 99 13.708 -5.545 0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 99 14.011 -5.939 -1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.620 -5.245 -1.863 1.00 0.00 H new ATOM 0 HG CYS A 99 15.891 -8.093 -1.977 1.00 0.00 H new ATOM 1599 N VAL A 107 11.758 3.861 6.690 1.00 0.00 N ATOM 1600 CA VAL A 107 11.434 3.524 5.314 1.00 0.00 C ATOM 1601 C VAL A 107 12.190 4.464 4.372 1.00 0.00 C ATOM 1602 O VAL A 107 12.703 5.497 4.800 1.00 0.00 O ATOM 1603 CB VAL A 107 9.919 3.563 5.108 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.197 2.771 6.200 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.411 5.005 5.049 1.00 0.00 C ATOM 0 HA VAL A 107 11.753 2.507 5.085 1.00 0.00 H new ATOM 0 HB VAL A 107 9.698 3.091 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.121 2.815 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.526 1.732 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.428 3.201 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.331 5.005 4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.650 5.513 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.890 5.526 4.220 1.00 0.00 H new ATOM 1615 N ALA A 108 12.235 4.072 3.107 1.00 0.00 N ATOM 1616 CA ALA A 108 12.919 4.866 2.101 1.00 0.00 C ATOM 1617 C ALA A 108 12.166 6.183 1.898 1.00 0.00 C ATOM 1618 O ALA A 108 12.731 7.154 1.398 1.00 0.00 O ATOM 1619 CB ALA A 108 13.040 4.059 0.808 1.00 0.00 C ATOM 0 H ALA A 108 11.809 3.215 2.756 1.00 0.00 H new ATOM 0 HA ALA A 108 13.930 5.111 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.553 4.655 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.608 3.149 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.045 3.797 0.448 1.00 0.00 H new ATOM 1625 N GLY A 109 10.903 6.173 2.297 1.00 0.00 N ATOM 1626 CA GLY A 109 10.067 7.354 2.165 1.00 0.00 C ATOM 1627 C GLY A 109 8.639 7.070 2.637 1.00 0.00 C ATOM 1628 O GLY A 109 8.137 5.960 2.474 1.00 0.00 O ATOM 0 H GLY A 109 10.438 5.366 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.491 8.171 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.052 7.679 1.125 1.00 0.00 H new ATOM 1632 N GLU A 110 8.026 8.094 3.212 1.00 0.00 N ATOM 1633 CA GLU A 110 6.666 7.970 3.709 1.00 0.00 C ATOM 1634 C GLU A 110 5.745 8.957 2.988 1.00 0.00 C ATOM 1635 O GLU A 110 6.126 10.101 2.743 1.00 0.00 O ATOM 1636 CB GLU A 110 6.614 8.177 5.224 1.00 0.00 C ATOM 1637 CG GLU A 110 6.714 6.841 5.963 1.00 0.00 C ATOM 1638 CD GLU A 110 7.726 6.923 7.108 1.00 0.00 C ATOM 1639 OE1 GLU A 110 8.685 7.710 6.963 1.00 0.00 O ATOM 1640 OE2 GLU A 110 7.516 6.196 8.104 1.00 0.00 O ATOM 0 H GLU A 110 8.446 9.014 3.345 1.00 0.00 H new ATOM 0 HA GLU A 110 6.315 6.959 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.430 8.830 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.684 8.678 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.736 6.565 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.010 6.057 5.266 1.00 0.00 H new ATOM 1647 N LEU A 111 4.552 8.479 2.669 1.00 0.00 N ATOM 1648 CA LEU A 111 3.574 9.305 1.982 1.00 0.00 C ATOM 1649 C LEU A 111 2.195 9.081 2.606 1.00 0.00 C ATOM 1650 O LEU A 111 1.563 8.051 2.372 1.00 0.00 O ATOM 1651 CB LEU A 111 3.616 9.044 0.475 1.00 0.00 C ATOM 1652 CG LEU A 111 3.302 10.243 -0.422 1.00 0.00 C ATOM 1653 CD1 LEU A 111 2.438 11.268 0.316 1.00 0.00 C ATOM 1654 CD2 LEU A 111 4.585 10.867 -0.974 1.00 0.00 C ATOM 0 H LEU A 111 4.240 7.530 2.874 1.00 0.00 H new ATOM 0 HA LEU A 111 3.813 10.361 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.608 8.673 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.908 8.248 0.244 1.00 0.00 H new ATOM 0 HG LEU A 111 2.724 9.888 -1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.229 12.110 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.500 10.803 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.969 11.622 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.333 11.717 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.211 11.204 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.127 10.125 -1.560 1.00 0.00 H new ATOM 1666 N ARG A 112 1.768 10.061 3.388 1.00 0.00 N ATOM 1667 CA ARG A 112 0.475 9.984 4.047 1.00 0.00 C ATOM 1668 C ARG A 112 -0.639 10.388 3.080 1.00 0.00 C ATOM 1669 O ARG A 112 -0.404 11.140 2.135 1.00 0.00 O ATOM 1670 CB ARG A 112 0.428 10.894 5.276 1.00 0.00 C ATOM 1671 CG ARG A 112 -0.214 10.177 6.466 1.00 0.00 C ATOM 1672 CD ARG A 112 0.078 10.915 7.774 1.00 0.00 C ATOM 1673 NE ARG A 112 -0.400 12.313 7.683 1.00 0.00 N ATOM 1674 CZ ARG A 112 -1.674 12.685 7.870 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -2.605 11.765 8.158 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.017 13.976 7.768 1.00 0.00 N ATOM 0 H ARG A 112 2.295 10.913 3.580 1.00 0.00 H new ATOM 0 HA ARG A 112 0.327 8.952 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.438 11.209 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.137 11.797 5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.291 10.109 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.165 9.157 6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.412 10.408 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.149 10.900 7.978 1.00 0.00 H new ATOM 0 HE ARG A 112 0.283 13.039 7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.344 10.782 8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.575 12.048 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.309 14.676 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.987 14.259 7.910 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.829 9.870 3.348 1.00 0.00 N ATOM 1691 CA LEU A 113 -2.980 10.167 2.513 1.00 0.00 C ATOM 1692 C LEU A 113 -4.256 10.038 3.347 1.00 0.00 C ATOM 1693 O LEU A 113 -4.210 9.601 4.496 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.973 9.290 1.259 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.703 9.349 0.407 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.715 8.262 -0.670 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.506 10.744 -0.189 1.00 0.00 C ATOM 0 H LEU A 113 -2.021 9.246 4.132 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.936 11.195 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.136 8.256 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.819 9.576 0.635 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.848 9.152 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.802 8.326 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.773 7.282 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.579 8.403 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.597 10.758 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.360 10.995 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.421 11.475 0.615 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.366 10.425 2.735 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.653 10.357 3.407 1.00 0.00 C ATOM 1711 C GLY A 114 -7.670 9.584 2.565 1.00 0.00 C ATOM 1712 O GLY A 114 -7.535 9.497 1.346 1.00 0.00 O ATOM 0 H GLY A 114 -5.401 10.786 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.536 9.874 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.023 11.365 3.596 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.666 9.041 3.251 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.706 8.278 2.582 1.00 0.00 C ATOM 1718 C LEU A 115 -11.011 9.076 2.601 1.00 0.00 C ATOM 1719 O LEU A 115 -11.833 8.951 1.694 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.829 6.884 3.200 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.517 6.218 3.620 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.426 6.448 2.572 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.084 6.688 5.010 1.00 0.00 C ATOM 0 H LEU A 115 -8.774 9.114 4.263 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.446 8.116 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.475 6.952 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.330 6.234 2.483 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.684 5.143 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.504 5.965 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.743 6.026 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.253 7.518 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.149 6.200 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.940 7.768 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.854 6.431 5.737 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.161 9.879 3.644 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.352 10.698 3.794 1.00 0.00 C ATOM 1737 C ASP A 116 -12.535 11.558 2.541 1.00 0.00 C ATOM 1738 O ASP A 116 -13.656 11.932 2.199 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.230 11.635 4.997 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.945 12.464 5.042 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -9.918 11.947 4.552 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -11.018 13.596 5.567 1.00 0.00 O ATOM 0 H ASP A 116 -10.477 9.980 4.394 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.202 10.032 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.083 12.314 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.294 11.041 5.909 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.417 11.846 1.892 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.440 12.655 0.685 1.00 0.00 C ATOM 1749 C GLY A 117 -11.136 14.121 1.002 1.00 0.00 C ATOM 1750 O GLY A 117 -11.641 15.022 0.333 1.00 0.00 O ATOM 0 H GLY A 117 -10.489 11.534 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.708 12.274 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.418 12.577 0.209 1.00 0.00 H new ATOM 1754 N THR A 118 -10.312 14.315 2.021 1.00 0.00 N ATOM 1755 CA THR A 118 -9.935 15.656 2.435 1.00 0.00 C ATOM 1756 C THR A 118 -8.536 15.998 1.921 1.00 0.00 C ATOM 1757 O THR A 118 -8.351 17.005 1.238 1.00 0.00 O ATOM 1758 CB THR A 118 -10.059 15.733 3.958 1.00 0.00 C ATOM 1759 OG1 THR A 118 -9.738 17.087 4.264 1.00 0.00 O ATOM 1760 CG2 THR A 118 -8.977 14.923 4.675 1.00 0.00 C ATOM 0 H THR A 118 -9.895 13.565 2.573 1.00 0.00 H new ATOM 0 HA THR A 118 -10.598 16.405 2.003 1.00 0.00 H new ATOM 0 HB THR A 118 -11.042 15.373 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.795 17.226 5.232 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.111 15.012 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.054 13.875 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.994 15.304 4.399 1.00 0.00 H new ATOM 1768 N SER A 119 -7.586 15.142 2.268 1.00 0.00 N ATOM 1769 CA SER A 119 -6.209 15.342 1.850 1.00 0.00 C ATOM 1770 C SER A 119 -6.081 15.113 0.343 1.00 0.00 C ATOM 1771 O SER A 119 -5.638 15.998 -0.388 1.00 0.00 O ATOM 1772 CB SER A 119 -5.262 14.411 2.610 1.00 0.00 C ATOM 1773 OG SER A 119 -5.022 14.864 3.940 1.00 0.00 O ATOM 0 H SER A 119 -7.743 14.308 2.834 1.00 0.00 H new ATOM 0 HA SER A 119 -5.928 16.370 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.687 13.408 2.640 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.315 14.341 2.074 1.00 0.00 H new ATOM 0 HG SER A 119 -4.415 14.242 4.393 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.477 13.921 -0.078 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.412 13.565 -1.485 1.00 0.00 C ATOM 1781 C VAL A 120 -7.729 12.905 -1.901 1.00 0.00 C ATOM 1782 O VAL A 120 -8.287 12.102 -1.155 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.192 12.680 -1.746 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -3.918 13.521 -1.853 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.051 11.607 -0.664 1.00 0.00 C ATOM 0 H VAL A 120 -6.844 13.189 0.531 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.287 14.457 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.342 12.175 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.065 12.868 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.018 14.230 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.762 14.065 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.176 10.992 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.934 12.084 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.942 10.979 -0.656 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.198 13.277 -3.122 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.438 12.730 -3.646 1.00 0.00 C ATOM 1797 C PRO A 121 -9.244 11.289 -4.122 1.00 0.00 C ATOM 1798 O PRO A 121 -8.115 10.810 -4.217 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.843 13.676 -4.765 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.587 14.448 -5.134 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.563 14.225 -4.033 1.00 0.00 C ATOM 0 HA PRO A 121 -10.222 12.668 -2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.228 13.124 -5.622 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.634 14.351 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.197 14.107 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.809 15.510 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.631 13.826 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.318 15.158 -3.526 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.362 10.638 -4.407 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.329 9.262 -4.870 1.00 0.00 C ATOM 1811 C LEU A 122 -10.425 9.240 -6.397 1.00 0.00 C ATOM 1812 O LEU A 122 -10.870 10.210 -7.009 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.413 8.436 -4.174 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.221 8.207 -2.674 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.552 7.877 -1.995 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.164 7.132 -2.414 1.00 0.00 C ATOM 0 H LEU A 122 -11.297 11.038 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.382 8.793 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.372 8.930 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.473 7.465 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 122 -10.854 9.133 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.387 7.719 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.247 8.705 -2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -12.971 6.972 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.047 6.989 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.478 6.194 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.213 7.446 -2.844 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.001 8.122 -6.969 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.033 7.961 -8.412 1.00 0.00 C ATOM 1830 C GLY A 123 -9.380 9.154 -9.112 1.00 0.00 C ATOM 1831 O GLY A 123 -9.683 9.442 -10.269 1.00 0.00 O ATOM 0 H GLY A 123 -9.633 7.319 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.515 7.043 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.065 7.859 -8.747 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.496 9.817 -8.381 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.797 10.973 -8.917 1.00 0.00 C ATOM 1837 C ALA A 124 -6.290 10.779 -8.741 1.00 0.00 C ATOM 1838 O ALA A 124 -5.754 10.998 -7.655 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.306 12.241 -8.229 1.00 0.00 C ATOM 0 H ALA A 124 -8.248 9.576 -7.422 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.993 11.080 -9.984 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.782 13.108 -8.631 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.376 12.348 -8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.123 12.171 -7.157 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.647 10.370 -9.825 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.212 10.144 -9.804 1.00 0.00 C ATOM 1847 C ALA A 125 -3.503 11.435 -9.391 1.00 0.00 C ATOM 1848 O ALA A 125 -3.689 12.477 -10.017 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.754 9.640 -11.174 1.00 0.00 C ATOM 0 H ALA A 125 -6.094 10.189 -10.724 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.955 9.378 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.677 9.471 -11.158 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.265 8.706 -11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.993 10.384 -11.934 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.704 11.323 -8.340 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.966 12.469 -7.836 1.00 0.00 C ATOM 1857 C GLN A 126 -0.546 12.055 -7.444 1.00 0.00 C ATOM 1858 O GLN A 126 -0.277 10.874 -7.230 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.694 13.114 -6.656 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.204 12.053 -5.679 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.443 12.547 -4.929 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -4.473 13.635 -4.377 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.460 11.691 -4.941 1.00 0.00 N ATOM 0 H GLN A 126 -2.551 10.457 -7.824 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.901 13.212 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.020 13.797 -6.138 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.531 13.709 -7.022 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.444 11.139 -6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -2.419 11.803 -4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -5.368 10.796 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.332 11.929 -4.469 1.00 0.00 H new ATOM 1872 N TRP A 127 0.325 13.050 -7.362 1.00 0.00 N ATOM 1873 CA TRP A 127 1.711 12.804 -7.000 1.00 0.00 C ATOM 1874 C TRP A 127 1.916 13.285 -5.562 1.00 0.00 C ATOM 1875 O TRP A 127 1.214 14.182 -5.098 1.00 0.00 O ATOM 1876 CB TRP A 127 2.664 13.469 -7.995 1.00 0.00 C ATOM 1877 CG TRP A 127 2.834 12.697 -9.305 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.097 12.792 -10.420 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.840 11.703 -9.592 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.552 11.935 -11.401 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.646 11.252 -10.882 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.880 11.202 -8.790 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.453 10.278 -11.483 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.677 10.230 -9.405 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.495 9.765 -10.702 1.00 0.00 C ATOM 0 H TRP A 127 0.098 14.028 -7.540 1.00 0.00 H new ATOM 0 HA TRP A 127 1.939 11.739 -7.047 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.297 14.470 -8.220 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.640 13.586 -7.525 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.253 13.456 -10.536 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.158 11.823 -12.335 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.051 11.541 -7.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.281 9.941 -12.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.491 9.812 -8.831 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.155 9.011 -11.105 1.00 0.00 H new ATOM 1896 N GLY A 128 2.881 12.667 -4.897 1.00 0.00 N ATOM 1897 CA GLY A 128 3.187 13.021 -3.522 1.00 0.00 C ATOM 1898 C GLY A 128 4.685 12.887 -3.242 1.00 0.00 C ATOM 1899 O GLY A 128 5.344 11.997 -3.778 1.00 0.00 O ATOM 0 H GLY A 128 3.461 11.923 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.867 14.044 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.628 12.377 -2.844 1.00 0.00 H new ATOM 1903 N GLU A 129 5.180 13.784 -2.401 1.00 0.00 N ATOM 1904 CA GLU A 129 6.588 13.777 -2.043 1.00 0.00 C ATOM 1905 C GLU A 129 6.815 12.922 -0.795 1.00 0.00 C ATOM 1906 O GLU A 129 6.178 13.141 0.235 1.00 0.00 O ATOM 1907 CB GLU A 129 7.108 15.200 -1.835 1.00 0.00 C ATOM 1908 CG GLU A 129 7.942 15.661 -3.032 1.00 0.00 C ATOM 1909 CD GLU A 129 7.629 17.115 -3.392 1.00 0.00 C ATOM 1910 OE1 GLU A 129 8.216 18.001 -2.734 1.00 0.00 O ATOM 1911 OE2 GLU A 129 6.810 17.306 -4.316 1.00 0.00 O ATOM 0 H GLU A 129 4.631 14.520 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 129 7.150 13.337 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.269 15.880 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.713 15.241 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.002 15.560 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.740 15.019 -3.889 1.00 0.00 H new ATOM 1918 N LEU A 130 7.722 11.966 -0.927 1.00 0.00 N ATOM 1919 CA LEU A 130 8.040 11.077 0.177 1.00 0.00 C ATOM 1920 C LEU A 130 8.593 11.899 1.344 1.00 0.00 C ATOM 1921 O LEU A 130 9.484 12.726 1.158 1.00 0.00 O ATOM 1922 CB LEU A 130 8.977 9.960 -0.286 1.00 0.00 C ATOM 1923 CG LEU A 130 8.388 8.962 -1.286 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.492 8.154 -1.970 1.00 0.00 C ATOM 1925 CD2 LEU A 130 7.350 8.061 -0.614 1.00 0.00 C ATOM 0 H LEU A 130 8.247 11.787 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 130 7.140 10.578 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.860 10.416 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 130 9.314 9.409 0.592 1.00 0.00 H new ATOM 0 HG LEU A 130 7.871 9.523 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 130 9.046 7.453 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 130 10.160 8.830 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.058 7.603 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.947 7.361 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.821 7.506 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.542 8.673 -0.214 1.00 0.00 H new ATOM 1937 N LYS A 131 8.042 11.641 2.521 1.00 0.00 N ATOM 1938 CA LYS A 131 8.469 12.346 3.718 1.00 0.00 C ATOM 1939 C LYS A 131 9.489 11.490 4.472 1.00 0.00 C ATOM 1940 O LYS A 131 9.290 11.169 5.643 1.00 0.00 O ATOM 1941 CB LYS A 131 7.258 12.748 4.563 1.00 0.00 C ATOM 1942 CG LYS A 131 6.424 13.816 3.853 1.00 0.00 C ATOM 1943 CD LYS A 131 4.952 13.403 3.780 1.00 0.00 C ATOM 1944 CE LYS A 131 4.304 13.909 2.490 1.00 0.00 C ATOM 1945 NZ LYS A 131 2.869 14.195 2.708 1.00 0.00 N ATOM 0 H LYS A 131 7.304 10.954 2.671 1.00 0.00 H new ATOM 0 HA LYS A 131 8.968 13.278 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.641 11.872 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.593 13.126 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 131 6.514 14.764 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.811 13.975 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.872 12.317 3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.416 13.801 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.813 14.811 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.417 13.163 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.445 14.537 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.384 13.326 3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.768 14.923 3.444 1.00 0.00 H new