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= -3.45! C(o=-3.3!,f=-9.7!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -7.62! C(o=-7.6!,f=-5.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.417 USER MOD Single : A 18 CYS SG : rot -53:sc= 0.634 USER MOD Single : A 21 TYR OH : rot -46:sc= -2! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.521 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 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 8:sc= 0.015 USER MOD Single : A 47 TYR OH : rot 30:sc= -0.662 USER MOD Single : A 49 GLN : amide:sc= -0.825 K(o=-0.82,f=-4.7!) USER MOD Single : A 51 SER OG : rot 180:sc= -1.74 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.00018 X(o=0.00018,f=0.0075) USER MOD Single : A 63 THR OG1 : rot 113:sc= 1.7 USER MOD Single : A 66 LYS NZ :NH3+ 159:sc= 0.0938 (180deg=0.0218) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.6) USER MOD Single : A 71 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-4.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -172:sc= -1.89! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0897 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -5.18! C(o=-5.2!,f=-6.4!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ALA A 12 13.979 15.442 -4.579 1.00 0.00 N ATOM 133 CA ALA A 12 12.993 14.958 -3.628 1.00 0.00 C ATOM 134 C ALA A 12 12.347 13.683 -4.174 1.00 0.00 C ATOM 135 O ALA A 12 12.084 13.581 -5.372 1.00 0.00 O ATOM 136 CB ALA A 12 11.968 16.059 -3.350 1.00 0.00 C ATOM 0 HA ALA A 12 13.466 14.707 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.228 15.696 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.474 16.931 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.470 16.336 -4.279 1.00 0.00 H new ATOM 142 N PRO A 13 12.103 12.719 -3.247 1.00 0.00 N ATOM 143 CA PRO A 13 11.492 11.456 -3.623 1.00 0.00 C ATOM 144 C PRO A 13 9.995 11.628 -3.888 1.00 0.00 C ATOM 145 O PRO A 13 9.269 12.157 -3.048 1.00 0.00 O ATOM 146 CB PRO A 13 11.785 10.516 -2.465 1.00 0.00 C ATOM 147 CG PRO A 13 12.142 11.407 -1.286 1.00 0.00 C ATOM 148 CD PRO A 13 12.401 12.806 -1.820 1.00 0.00 C ATOM 0 HA PRO A 13 11.893 11.056 -4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.919 9.895 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.606 9.841 -2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.331 11.420 -0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.024 11.025 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.766 13.542 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.434 13.110 -1.649 1.00 0.00 H new ATOM 156 N LYS A 14 9.578 11.172 -5.060 1.00 0.00 N ATOM 157 CA LYS A 14 8.180 11.269 -5.447 1.00 0.00 C ATOM 158 C LYS A 14 7.576 9.865 -5.517 1.00 0.00 C ATOM 159 O LYS A 14 8.243 8.918 -5.933 1.00 0.00 O ATOM 160 CB LYS A 14 8.038 12.065 -6.745 1.00 0.00 C ATOM 161 CG LYS A 14 7.444 13.450 -6.477 1.00 0.00 C ATOM 162 CD LYS A 14 6.764 14.006 -7.729 1.00 0.00 C ATOM 163 CE LYS A 14 7.713 13.977 -8.929 1.00 0.00 C ATOM 164 NZ LYS A 14 7.645 15.253 -9.675 1.00 0.00 N ATOM 0 H LYS A 14 10.183 10.734 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 14 7.614 11.822 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.013 12.169 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.401 11.521 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.721 13.389 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.231 14.131 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.872 13.421 -7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.436 15.029 -7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.734 13.802 -8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.450 13.149 -9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.295 15.216 -10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.674 15.404 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.918 16.037 -9.048 1.00 0.00 H new ATOM 178 N LEU A 15 6.321 9.774 -5.104 1.00 0.00 N ATOM 179 CA LEU A 15 5.620 8.502 -5.115 1.00 0.00 C ATOM 180 C LEU A 15 4.178 8.722 -5.576 1.00 0.00 C ATOM 181 O LEU A 15 3.360 9.264 -4.834 1.00 0.00 O ATOM 182 CB LEU A 15 5.730 7.817 -3.750 1.00 0.00 C ATOM 183 CG LEU A 15 4.740 6.681 -3.488 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.744 5.673 -4.639 1.00 0.00 C ATOM 185 CD2 LEU A 15 5.018 6.012 -2.140 1.00 0.00 C ATOM 0 H LEU A 15 5.771 10.561 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 15 6.083 7.820 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.741 7.423 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.599 8.572 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 15 3.738 7.107 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.031 4.876 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.462 6.176 -5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.742 5.248 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.300 5.208 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.028 5.603 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.924 6.749 -1.342 1.00 0.00 H new ATOM 197 N HIS A 16 3.910 8.292 -6.800 1.00 0.00 N ATOM 198 CA HIS A 16 2.581 8.436 -7.370 1.00 0.00 C ATOM 199 C HIS A 16 1.648 7.384 -6.768 1.00 0.00 C ATOM 200 O HIS A 16 2.074 6.270 -6.466 1.00 0.00 O ATOM 201 CB HIS A 16 2.635 8.375 -8.898 1.00 0.00 C ATOM 202 CG HIS A 16 1.353 8.795 -9.575 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.540 7.907 -10.258 1.00 0.00 N ATOM 204 CD2 HIS A 16 0.751 10.016 -9.667 1.00 0.00 C ATOM 205 CE1 HIS A 16 -0.500 8.574 -10.736 1.00 0.00 C ATOM 206 NE2 HIS A 16 -0.367 9.881 -10.368 1.00 0.00 N ATOM 0 H HIS A 16 4.591 7.844 -7.413 1.00 0.00 H new ATOM 0 HA HIS A 16 2.178 9.417 -7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.445 9.014 -9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.878 7.357 -9.202 1.00 0.00 H new ATOM 0 HD1 HIS A 16 0.712 6.908 -10.374 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.122 10.937 -9.241 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -1.310 8.157 -11.315 1.00 0.00 H new ATOM 214 N TYR A 17 0.391 7.774 -6.611 1.00 0.00 N ATOM 215 CA TYR A 17 -0.606 6.878 -6.050 1.00 0.00 C ATOM 216 C TYR A 17 -2.019 7.322 -6.434 1.00 0.00 C ATOM 217 O TYR A 17 -2.338 8.509 -6.377 1.00 0.00 O ATOM 218 CB TYR A 17 -0.450 6.972 -4.531 1.00 0.00 C ATOM 219 CG TYR A 17 -0.496 8.401 -3.988 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.702 9.065 -3.893 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.669 9.026 -3.592 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.744 10.411 -3.381 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.627 10.372 -3.080 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.578 10.997 -3.000 1.00 0.00 C ATOM 225 OH TYR A 17 -0.618 12.268 -2.517 1.00 0.00 O ATOM 0 H TYR A 17 0.041 8.698 -6.863 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.464 5.864 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.240 6.389 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.498 6.516 -4.244 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.614 8.576 -4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.613 8.506 -3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.681 10.943 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.531 10.873 -2.767 1.00 0.00 H new ATOM 0 HH TYR A 17 0.289 12.558 -2.283 1.00 0.00 H new ATOM 235 N CYS A 18 -2.829 6.345 -6.816 1.00 0.00 N ATOM 236 CA CYS A 18 -4.200 6.620 -7.209 1.00 0.00 C ATOM 237 C CYS A 18 -5.133 5.931 -6.212 1.00 0.00 C ATOM 238 O CYS A 18 -5.356 4.724 -6.297 1.00 0.00 O ATOM 239 CB CYS A 18 -4.476 6.179 -8.648 1.00 0.00 C ATOM 240 SG CYS A 18 -6.265 6.304 -9.009 1.00 0.00 S ATOM 0 H CYS A 18 -2.561 5.362 -6.862 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.378 7.695 -7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.912 6.802 -9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.138 5.153 -8.794 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.936 5.652 -8.107 1.00 0.00 H new ATOM 246 N LEU A 19 -5.653 6.726 -5.289 1.00 0.00 N ATOM 247 CA LEU A 19 -6.557 6.207 -4.277 1.00 0.00 C ATOM 248 C LEU A 19 -7.925 5.941 -4.909 1.00 0.00 C ATOM 249 O LEU A 19 -8.382 6.708 -5.754 1.00 0.00 O ATOM 250 CB LEU A 19 -6.610 7.149 -3.072 1.00 0.00 C ATOM 251 CG LEU A 19 -5.258 7.576 -2.495 1.00 0.00 C ATOM 252 CD1 LEU A 19 -5.395 7.996 -1.030 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.211 6.476 -2.680 1.00 0.00 C ATOM 0 H LEU A 19 -5.466 7.726 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.192 5.255 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.159 8.045 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.183 6.664 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.910 8.448 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.420 8.295 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.087 8.835 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.775 7.158 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.260 6.805 -2.261 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.539 5.571 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.087 6.267 -3.743 1.00 0.00 H new ATOM 265 N ASP A 20 -8.539 4.850 -4.474 1.00 0.00 N ATOM 266 CA ASP A 20 -9.845 4.473 -4.987 1.00 0.00 C ATOM 267 C ASP A 20 -10.505 3.490 -4.017 1.00 0.00 C ATOM 268 O ASP A 20 -10.035 2.365 -3.852 1.00 0.00 O ATOM 269 CB ASP A 20 -9.725 3.784 -6.348 1.00 0.00 C ATOM 270 CG ASP A 20 -9.640 4.731 -7.546 1.00 0.00 C ATOM 271 OD1 ASP A 20 -8.560 5.338 -7.715 1.00 0.00 O ATOM 272 OD2 ASP A 20 -10.657 4.827 -8.267 1.00 0.00 O ATOM 0 H ASP A 20 -8.156 4.216 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.440 5.380 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.838 3.151 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.584 3.127 -6.483 1.00 0.00 H new ATOM 277 N TYR A 21 -11.583 3.951 -3.400 1.00 0.00 N ATOM 278 CA TYR A 21 -12.312 3.127 -2.451 1.00 0.00 C ATOM 279 C TYR A 21 -13.618 2.613 -3.060 1.00 0.00 C ATOM 280 O TYR A 21 -14.531 3.392 -3.328 1.00 0.00 O ATOM 281 CB TYR A 21 -12.640 4.038 -1.266 1.00 0.00 C ATOM 282 CG TYR A 21 -13.291 3.314 -0.086 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.518 2.555 0.769 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.651 3.420 0.123 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.131 1.873 1.880 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.264 2.738 1.234 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.473 1.999 2.058 1.00 0.00 C ATOM 288 OH TYR A 21 -15.052 1.355 3.107 1.00 0.00 O ATOM 0 H TYR A 21 -11.969 4.885 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.718 2.260 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.722 4.517 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.306 4.832 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.454 2.472 0.605 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.256 4.014 -0.546 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.538 1.275 2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.327 2.812 1.409 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.723 0.433 3.146 1.00 0.00 H new ATOM 298 N ASP A 22 -13.664 1.304 -3.262 1.00 0.00 N ATOM 299 CA ASP A 22 -14.843 0.676 -3.835 1.00 0.00 C ATOM 300 C ASP A 22 -15.818 0.313 -2.713 1.00 0.00 C ATOM 301 O ASP A 22 -15.794 -0.807 -2.203 1.00 0.00 O ATOM 302 CB ASP A 22 -14.476 -0.610 -4.578 1.00 0.00 C ATOM 303 CG ASP A 22 -14.393 -0.476 -6.099 1.00 0.00 C ATOM 304 OD1 ASP A 22 -13.294 -0.121 -6.579 1.00 0.00 O ATOM 305 OD2 ASP A 22 -15.429 -0.731 -6.749 1.00 0.00 O ATOM 0 H ASP A 22 -12.904 0.661 -3.039 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.294 1.380 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.515 -0.965 -4.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.213 -1.375 -4.335 1.00 0.00 H new ATOM 310 N CYS A 23 -16.652 1.280 -2.361 1.00 0.00 N ATOM 311 CA CYS A 23 -17.634 1.075 -1.309 1.00 0.00 C ATOM 312 C CYS A 23 -18.265 -0.305 -1.503 1.00 0.00 C ATOM 313 O CYS A 23 -18.646 -0.959 -0.533 1.00 0.00 O ATOM 314 CB CYS A 23 -18.685 2.187 -1.292 1.00 0.00 C ATOM 315 SG CYS A 23 -19.904 1.916 -2.630 1.00 0.00 S ATOM 0 H CYS A 23 -16.668 2.207 -2.785 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.143 1.115 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.191 2.206 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.203 3.156 -1.419 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.793 2.864 -2.606 1.00 0.00 H new ATOM 321 N GLN A 24 -18.358 -0.707 -2.762 1.00 0.00 N ATOM 322 CA GLN A 24 -18.937 -1.997 -3.095 1.00 0.00 C ATOM 323 C GLN A 24 -18.153 -3.122 -2.416 1.00 0.00 C ATOM 324 O GLN A 24 -18.737 -3.980 -1.757 1.00 0.00 O ATOM 325 CB GLN A 24 -18.986 -2.201 -4.611 1.00 0.00 C ATOM 326 CG GLN A 24 -19.421 -0.918 -5.322 1.00 0.00 C ATOM 327 CD GLN A 24 -20.587 -1.188 -6.276 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.707 -0.751 -6.069 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.261 -1.932 -7.330 1.00 0.00 N ATOM 0 H GLN A 24 -18.042 -0.162 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.962 -2.020 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -18.004 -2.507 -4.973 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.679 -3.007 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.715 -0.171 -4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.580 -0.503 -5.878 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.304 -2.265 -7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -20.968 -2.169 -8.026 1.00 0.00 H new ATOM 338 N LYS A 25 -16.841 -3.081 -2.601 1.00 0.00 N ATOM 339 CA LYS A 25 -15.971 -4.086 -2.015 1.00 0.00 C ATOM 340 C LYS A 25 -15.423 -3.567 -0.684 1.00 0.00 C ATOM 341 O LYS A 25 -14.616 -4.233 -0.039 1.00 0.00 O ATOM 342 CB LYS A 25 -14.884 -4.499 -3.008 1.00 0.00 C ATOM 343 CG LYS A 25 -15.425 -4.513 -4.439 1.00 0.00 C ATOM 344 CD LYS A 25 -14.648 -5.503 -5.310 1.00 0.00 C ATOM 345 CE LYS A 25 -15.600 -6.421 -6.080 1.00 0.00 C ATOM 346 NZ LYS A 25 -15.189 -7.835 -5.931 1.00 0.00 N ATOM 0 H LYS A 25 -16.360 -2.367 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.532 -4.994 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.043 -3.809 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.506 -5.488 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.481 -4.783 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.355 -3.513 -4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.016 -4.958 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.986 -6.102 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.618 -6.291 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.605 -6.147 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.845 -8.445 -6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.226 -7.958 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.207 -8.097 -4.925 1.00 0.00 H new ATOM 360 N ALA A 26 -15.885 -2.381 -0.313 1.00 0.00 N ATOM 361 CA ALA A 26 -15.451 -1.765 0.929 1.00 0.00 C ATOM 362 C ALA A 26 -13.952 -2.007 1.117 1.00 0.00 C ATOM 363 O ALA A 26 -13.493 -2.241 2.234 1.00 0.00 O ATOM 364 CB ALA A 26 -16.281 -2.317 2.090 1.00 0.00 C ATOM 0 H ALA A 26 -16.555 -1.831 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.609 -0.687 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.955 -1.855 3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.335 -2.093 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.145 -3.397 2.153 1.00 0.00 H new ATOM 370 N GLU A 27 -13.231 -1.942 0.008 1.00 0.00 N ATOM 371 CA GLU A 27 -11.793 -2.151 0.036 1.00 0.00 C ATOM 372 C GLU A 27 -11.077 -1.014 -0.696 1.00 0.00 C ATOM 373 O GLU A 27 -11.343 -0.763 -1.871 1.00 0.00 O ATOM 374 CB GLU A 27 -11.424 -3.509 -0.565 1.00 0.00 C ATOM 375 CG GLU A 27 -11.597 -4.628 0.464 1.00 0.00 C ATOM 376 CD GLU A 27 -10.246 -5.054 1.043 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.353 -4.181 1.102 1.00 0.00 O ATOM 378 OE2 GLU A 27 -10.136 -6.243 1.413 1.00 0.00 O ATOM 0 H GLU A 27 -13.616 -1.747 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.466 -2.150 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.051 -3.709 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.392 -3.488 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.251 -4.290 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.083 -5.485 -0.003 1.00 0.00 H new ATOM 385 N LEU A 28 -10.182 -0.358 0.028 1.00 0.00 N ATOM 386 CA LEU A 28 -9.426 0.746 -0.539 1.00 0.00 C ATOM 387 C LEU A 28 -8.412 0.200 -1.546 1.00 0.00 C ATOM 388 O LEU A 28 -8.115 -0.994 -1.548 1.00 0.00 O ATOM 389 CB LEU A 28 -8.797 1.590 0.572 1.00 0.00 C ATOM 390 CG LEU A 28 -8.085 2.868 0.122 1.00 0.00 C ATOM 391 CD1 LEU A 28 -9.080 3.871 -0.466 1.00 0.00 C ATOM 392 CD2 LEU A 28 -7.270 3.473 1.266 1.00 0.00 C ATOM 0 H LEU A 28 -9.963 -0.570 1.002 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.086 1.420 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.579 1.864 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.081 0.970 1.111 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.383 2.608 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.549 4.770 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.578 3.427 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.823 4.132 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.774 4.380 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.933 3.716 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.521 2.755 1.599 1.00 0.00 H new ATOM 404 N PHE A 29 -7.908 1.100 -2.377 1.00 0.00 N ATOM 405 CA PHE A 29 -6.933 0.724 -3.387 1.00 0.00 C ATOM 406 C PHE A 29 -5.921 1.847 -3.618 1.00 0.00 C ATOM 407 O PHE A 29 -6.285 3.022 -3.632 1.00 0.00 O ATOM 408 CB PHE A 29 -7.706 0.475 -4.684 1.00 0.00 C ATOM 409 CG PHE A 29 -8.565 -0.791 -4.663 1.00 0.00 C ATOM 410 CD1 PHE A 29 -9.826 -0.749 -4.156 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.067 -1.959 -5.152 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.624 -1.924 -4.137 1.00 0.00 C ATOM 413 CE2 PHE A 29 -8.865 -3.133 -5.133 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.126 -3.091 -4.626 1.00 0.00 C ATOM 0 H PHE A 29 -8.157 2.089 -2.372 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.385 -0.161 -3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.347 1.334 -4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.998 0.408 -5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.221 0.178 -3.768 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.065 -1.993 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.626 -1.890 -3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.470 -4.060 -5.522 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.732 -3.985 -4.612 1.00 0.00 H new ATOM 424 N VAL A 30 -4.670 1.447 -3.793 1.00 0.00 N ATOM 425 CA VAL A 30 -3.603 2.406 -4.023 1.00 0.00 C ATOM 426 C VAL A 30 -2.821 2.002 -5.275 1.00 0.00 C ATOM 427 O VAL A 30 -1.671 1.577 -5.183 1.00 0.00 O ATOM 428 CB VAL A 30 -2.721 2.515 -2.777 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.495 3.389 -3.049 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.519 3.046 -1.585 1.00 0.00 C ATOM 0 H VAL A 30 -4.371 0.472 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.014 3.399 -4.203 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.370 1.514 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.885 3.450 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.908 2.951 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.818 4.389 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.869 3.114 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.912 4.035 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.345 2.369 -1.370 1.00 0.00 H new ATOM 440 N THR A 31 -3.478 2.149 -6.416 1.00 0.00 N ATOM 441 CA THR A 31 -2.859 1.805 -7.685 1.00 0.00 C ATOM 442 C THR A 31 -2.003 2.967 -8.193 1.00 0.00 C ATOM 443 O THR A 31 -1.547 3.796 -7.408 1.00 0.00 O ATOM 444 CB THR A 31 -3.969 1.397 -8.657 1.00 0.00 C ATOM 445 OG1 THR A 31 -4.703 2.600 -8.870 1.00 0.00 O ATOM 446 CG2 THR A 31 -4.985 0.447 -8.020 1.00 0.00 C ATOM 0 H THR A 31 -4.432 2.502 -6.488 1.00 0.00 H new ATOM 0 HA THR A 31 -2.176 0.963 -7.577 1.00 0.00 H new ATOM 0 HB THR A 31 -3.528 0.921 -9.533 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.442 2.427 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.750 0.189 -8.752 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.478 -0.460 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.451 0.934 -7.164 1.00 0.00 H new ATOM 454 N ARG A 32 -1.811 2.989 -9.504 1.00 0.00 N ATOM 455 CA ARG A 32 -1.018 4.036 -10.126 1.00 0.00 C ATOM 456 C ARG A 32 0.218 4.341 -9.277 1.00 0.00 C ATOM 457 O ARG A 32 0.511 5.503 -8.997 1.00 0.00 O ATOM 458 CB ARG A 32 -1.836 5.316 -10.303 1.00 0.00 C ATOM 459 CG ARG A 32 -3.021 5.084 -11.243 1.00 0.00 C ATOM 460 CD ARG A 32 -2.567 5.068 -12.704 1.00 0.00 C ATOM 461 NE ARG A 32 -2.752 6.406 -13.307 1.00 0.00 N ATOM 462 CZ ARG A 32 -2.598 6.670 -14.611 1.00 0.00 C ATOM 463 NH1 ARG A 32 -2.254 5.690 -15.457 1.00 0.00 N ATOM 464 NH2 ARG A 32 -2.787 7.915 -15.070 1.00 0.00 N ATOM 0 H ARG A 32 -2.191 2.299 -10.152 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.709 3.678 -11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.198 5.658 -9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.200 6.106 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.504 4.138 -10.998 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.764 5.868 -11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.519 4.775 -12.764 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.138 4.326 -13.263 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.013 7.176 -12.691 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.109 4.743 -15.108 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.137 5.891 -16.450 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.048 8.662 -14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.670 8.116 -16.063 1.00 0.00 H new ATOM 478 N LEU A 33 0.909 3.279 -8.891 1.00 0.00 N ATOM 479 CA LEU A 33 2.106 3.419 -8.079 1.00 0.00 C ATOM 480 C LEU A 33 3.305 3.691 -8.989 1.00 0.00 C ATOM 481 O LEU A 33 3.543 2.955 -9.945 1.00 0.00 O ATOM 482 CB LEU A 33 2.285 2.198 -7.174 1.00 0.00 C ATOM 483 CG LEU A 33 1.149 1.923 -6.186 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.340 0.572 -5.495 1.00 0.00 C ATOM 485 CD2 LEU A 33 1.009 3.067 -5.180 1.00 0.00 C ATOM 0 H LEU A 33 0.663 2.317 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 33 2.014 4.273 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.412 1.318 -7.805 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.209 2.321 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 33 0.215 1.870 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.520 0.401 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.352 -0.221 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.284 0.572 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.195 2.847 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.939 3.176 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.793 3.994 -5.711 1.00 0.00 H new ATOM 497 N GLU A 34 4.029 4.751 -8.660 1.00 0.00 N ATOM 498 CA GLU A 34 5.197 5.129 -9.436 1.00 0.00 C ATOM 499 C GLU A 34 6.133 6.000 -8.595 1.00 0.00 C ATOM 500 O GLU A 34 5.803 7.140 -8.272 1.00 0.00 O ATOM 501 CB GLU A 34 4.791 5.846 -10.725 1.00 0.00 C ATOM 502 CG GLU A 34 3.883 4.962 -11.581 1.00 0.00 C ATOM 503 CD GLU A 34 3.635 5.596 -12.952 1.00 0.00 C ATOM 504 OE1 GLU A 34 4.599 6.183 -13.488 1.00 0.00 O ATOM 505 OE2 GLU A 34 2.487 5.478 -13.432 1.00 0.00 O ATOM 0 H GLU A 34 3.829 5.360 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 34 5.731 4.222 -9.718 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.276 6.775 -10.482 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.682 6.115 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.339 3.980 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.933 4.808 -11.070 1.00 0.00 H new ATOM 512 N ALA A 35 7.283 5.430 -8.265 1.00 0.00 N ATOM 513 CA ALA A 35 8.269 6.141 -7.469 1.00 0.00 C ATOM 514 C ALA A 35 9.197 6.928 -8.396 1.00 0.00 C ATOM 515 O ALA A 35 9.597 6.430 -9.448 1.00 0.00 O ATOM 516 CB ALA A 35 9.030 5.145 -6.591 1.00 0.00 C ATOM 0 H ALA A 35 7.554 4.484 -8.534 1.00 0.00 H new ATOM 0 HA ALA A 35 7.783 6.856 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.770 5.678 -5.994 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.330 4.634 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.533 4.413 -7.223 1.00 0.00 H new ATOM 522 N VAL A 36 9.512 8.143 -7.974 1.00 0.00 N ATOM 523 CA VAL A 36 10.385 9.004 -8.754 1.00 0.00 C ATOM 524 C VAL A 36 11.628 9.343 -7.929 1.00 0.00 C ATOM 525 O VAL A 36 11.763 10.461 -7.434 1.00 0.00 O ATOM 526 CB VAL A 36 9.619 10.244 -9.218 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.578 11.390 -9.545 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.725 9.919 -10.416 1.00 0.00 C ATOM 0 H VAL A 36 9.178 8.552 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 36 10.722 8.491 -9.655 1.00 0.00 H new ATOM 0 HB VAL A 36 8.977 10.568 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.008 12.259 -9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.154 11.647 -8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.257 11.081 -10.340 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.192 10.817 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.339 9.559 -11.241 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.006 9.149 -10.135 1.00 0.00 H new ATOM 631 N ASP A 45 15.979 -3.825 -4.433 1.00 0.00 N ATOM 632 CA ASP A 45 14.611 -3.843 -4.922 1.00 0.00 C ATOM 633 C ASP A 45 13.777 -2.834 -4.130 1.00 0.00 C ATOM 634 O ASP A 45 13.892 -2.751 -2.908 1.00 0.00 O ATOM 635 CB ASP A 45 13.979 -5.224 -4.740 1.00 0.00 C ATOM 636 CG ASP A 45 14.578 -6.330 -5.611 1.00 0.00 C ATOM 637 OD1 ASP A 45 15.637 -6.859 -5.208 1.00 0.00 O ATOM 638 OD2 ASP A 45 13.965 -6.621 -6.661 1.00 0.00 O ATOM 0 HA ASP A 45 14.629 -3.591 -5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.074 -5.515 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.913 -5.150 -4.955 1.00 0.00 H new ATOM 643 N CYS A 46 12.957 -2.091 -4.858 1.00 0.00 N ATOM 644 CA CYS A 46 12.104 -1.090 -4.239 1.00 0.00 C ATOM 645 C CYS A 46 10.650 -1.416 -4.588 1.00 0.00 C ATOM 646 O CYS A 46 10.364 -1.896 -5.683 1.00 0.00 O ATOM 647 CB CYS A 46 12.491 0.326 -4.669 1.00 0.00 C ATOM 648 SG CYS A 46 11.920 0.640 -6.379 1.00 0.00 S ATOM 0 H CYS A 46 12.865 -2.162 -5.871 1.00 0.00 H new ATOM 0 HA CYS A 46 12.232 -1.118 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.049 1.055 -3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.572 0.450 -4.609 1.00 0.00 H new ATOM 0 HG CYS A 46 11.173 -0.348 -6.775 1.00 0.00 H new ATOM 654 N TYR A 47 9.771 -1.141 -3.635 1.00 0.00 N ATOM 655 CA TYR A 47 8.354 -1.398 -3.828 1.00 0.00 C ATOM 656 C TYR A 47 7.504 -0.431 -3.002 1.00 0.00 C ATOM 657 O TYR A 47 7.961 0.089 -1.985 1.00 0.00 O ATOM 658 CB TYR A 47 8.113 -2.824 -3.329 1.00 0.00 C ATOM 659 CG TYR A 47 8.587 -3.070 -1.895 1.00 0.00 C ATOM 660 CD1 TYR A 47 9.890 -3.456 -1.655 1.00 0.00 C ATOM 661 CD2 TYR A 47 7.711 -2.906 -0.841 1.00 0.00 C ATOM 662 CE1 TYR A 47 10.335 -3.687 -0.305 1.00 0.00 C ATOM 663 CE2 TYR A 47 8.156 -3.137 0.509 1.00 0.00 C ATOM 664 CZ TYR A 47 9.447 -3.517 0.710 1.00 0.00 C ATOM 665 OH TYR A 47 9.868 -3.735 1.984 1.00 0.00 O ATOM 0 H TYR A 47 10.013 -0.743 -2.728 1.00 0.00 H new ATOM 0 HA TYR A 47 8.079 -1.269 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.047 -3.045 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.622 -3.522 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.576 -3.585 -2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.691 -2.604 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.352 -3.989 -0.103 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.481 -3.012 1.342 1.00 0.00 H new ATOM 0 HH TYR A 47 10.824 -3.529 2.053 1.00 0.00 H new ATOM 675 N VAL A 48 6.283 -0.219 -3.470 1.00 0.00 N ATOM 676 CA VAL A 48 5.365 0.676 -2.787 1.00 0.00 C ATOM 677 C VAL A 48 4.528 -0.124 -1.787 1.00 0.00 C ATOM 678 O VAL A 48 4.161 -1.267 -2.053 1.00 0.00 O ATOM 679 CB VAL A 48 4.513 1.432 -3.809 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.849 2.655 -3.173 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.347 1.833 -5.028 1.00 0.00 C ATOM 0 H VAL A 48 5.908 -0.652 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 48 5.915 1.428 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 48 3.724 0.761 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.250 3.174 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.207 2.335 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.616 3.329 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.718 2.369 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.167 2.477 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.751 0.939 -5.503 1.00 0.00 H new ATOM 691 N GLN A 49 4.250 0.509 -0.656 1.00 0.00 N ATOM 692 CA GLN A 49 3.464 -0.129 0.385 1.00 0.00 C ATOM 693 C GLN A 49 2.452 0.859 0.968 1.00 0.00 C ATOM 694 O GLN A 49 2.820 1.955 1.388 1.00 0.00 O ATOM 695 CB GLN A 49 4.365 -0.701 1.481 1.00 0.00 C ATOM 696 CG GLN A 49 3.548 -1.481 2.512 1.00 0.00 C ATOM 697 CD GLN A 49 4.091 -1.259 3.925 1.00 0.00 C ATOM 698 OE1 GLN A 49 4.947 -0.423 4.164 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.547 -2.050 4.845 1.00 0.00 N ATOM 0 H GLN A 49 4.556 1.458 -0.439 1.00 0.00 H new ATOM 0 HA GLN A 49 2.916 -0.960 -0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.115 -1.355 1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.902 0.109 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.505 -1.168 2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.573 -2.544 2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.835 -2.729 4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.842 -1.978 5.819 1.00 0.00 H new ATOM 708 N GLY A 50 1.196 0.437 0.974 1.00 0.00 N ATOM 709 CA GLY A 50 0.128 1.272 1.497 1.00 0.00 C ATOM 710 C GLY A 50 -0.492 0.648 2.749 1.00 0.00 C ATOM 711 O GLY A 50 -1.186 -0.364 2.664 1.00 0.00 O ATOM 0 H GLY A 50 0.894 -0.473 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.518 2.262 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.640 1.407 0.735 1.00 0.00 H new ATOM 715 N SER A 51 -0.218 1.277 3.883 1.00 0.00 N ATOM 716 CA SER A 51 -0.741 0.796 5.151 1.00 0.00 C ATOM 717 C SER A 51 -1.916 1.668 5.597 1.00 0.00 C ATOM 718 O SER A 51 -1.864 2.892 5.481 1.00 0.00 O ATOM 719 CB SER A 51 0.349 0.782 6.225 1.00 0.00 C ATOM 720 OG SER A 51 -0.037 0.022 7.367 1.00 0.00 O ATOM 0 H SER A 51 0.359 2.115 3.950 1.00 0.00 H new ATOM 0 HA SER A 51 -1.090 -0.227 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.266 0.367 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.572 1.805 6.529 1.00 0.00 H new ATOM 0 HG SER A 51 0.686 0.036 8.029 1.00 0.00 H new ATOM 726 N VAL A 52 -2.947 1.004 6.099 1.00 0.00 N ATOM 727 CA VAL A 52 -4.133 1.704 6.563 1.00 0.00 C ATOM 728 C VAL A 52 -4.393 1.341 8.027 1.00 0.00 C ATOM 729 O VAL A 52 -4.006 0.266 8.482 1.00 0.00 O ATOM 730 CB VAL A 52 -5.318 1.387 5.649 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.585 1.124 6.466 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.544 2.511 4.635 1.00 0.00 C ATOM 0 H VAL A 52 -2.986 -0.011 6.195 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.983 2.783 6.517 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.081 0.478 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.413 0.901 5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.420 0.276 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.826 2.007 7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.392 2.261 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.750 3.442 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.652 2.632 4.021 1.00 0.00 H new ATOM 742 N ALA A 53 -5.046 2.260 8.723 1.00 0.00 N ATOM 743 CA ALA A 53 -5.362 2.050 10.126 1.00 0.00 C ATOM 744 C ALA A 53 -6.813 2.463 10.384 1.00 0.00 C ATOM 745 O ALA A 53 -7.126 3.652 10.424 1.00 0.00 O ATOM 746 CB ALA A 53 -4.371 2.828 10.994 1.00 0.00 C ATOM 0 H ALA A 53 -5.365 3.151 8.342 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.267 0.996 10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.608 2.671 12.046 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.359 2.478 10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.440 3.891 10.761 1.00 0.00 H new ATOM 752 N ASN A 54 -7.659 1.458 10.553 1.00 0.00 N ATOM 753 CA ASN A 54 -9.069 1.701 10.807 1.00 0.00 C ATOM 754 C ASN A 54 -9.413 1.247 12.227 1.00 0.00 C ATOM 755 O ASN A 54 -8.585 0.643 12.907 1.00 0.00 O ATOM 756 CB ASN A 54 -9.948 0.914 9.833 1.00 0.00 C ATOM 757 CG ASN A 54 -9.095 0.067 8.886 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.751 0.473 7.788 1.00 0.00 O ATOM 759 ND2 ASN A 54 -8.773 -1.129 9.371 1.00 0.00 N ATOM 0 H ASN A 54 -7.395 0.473 10.519 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.255 2.767 10.680 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.628 0.270 10.390 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.564 1.603 9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.205 -1.769 8.815 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.094 -1.407 10.299 1.00 0.00 H new ATOM 766 N ARG A 55 -10.636 1.556 12.632 1.00 0.00 N ATOM 767 CA ARG A 55 -11.100 1.187 13.959 1.00 0.00 C ATOM 768 C ARG A 55 -11.092 -0.335 14.120 1.00 0.00 C ATOM 769 O ARG A 55 -11.013 -0.844 15.237 1.00 0.00 O ATOM 770 CB ARG A 55 -12.514 1.712 14.214 1.00 0.00 C ATOM 771 CG ARG A 55 -12.502 2.847 15.239 1.00 0.00 C ATOM 772 CD ARG A 55 -11.927 4.128 14.632 1.00 0.00 C ATOM 773 NE ARG A 55 -11.980 5.226 15.622 1.00 0.00 N ATOM 774 CZ ARG A 55 -11.028 5.461 16.535 1.00 0.00 C ATOM 775 NH1 ARG A 55 -9.943 4.676 16.589 1.00 0.00 N ATOM 776 NH2 ARG A 55 -11.160 6.480 17.395 1.00 0.00 N ATOM 0 H ARG A 55 -11.320 2.058 12.065 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.422 1.636 14.684 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.948 2.066 13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.148 0.901 14.572 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.516 3.032 15.594 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.909 2.553 16.105 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.897 3.960 14.318 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.492 4.403 13.741 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.792 5.843 15.609 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.842 3.900 15.935 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.218 4.855 17.284 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.986 7.077 17.355 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.435 6.658 18.090 1.00 0.00 H new ATOM 790 N THR A 56 -11.173 -1.018 12.988 1.00 0.00 N ATOM 791 CA THR A 56 -11.176 -2.471 12.990 1.00 0.00 C ATOM 792 C THR A 56 -9.769 -3.007 13.261 1.00 0.00 C ATOM 793 O THR A 56 -9.610 -4.104 13.794 1.00 0.00 O ATOM 794 CB THR A 56 -11.760 -2.945 11.658 1.00 0.00 C ATOM 795 OG1 THR A 56 -10.852 -2.442 10.682 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.086 -2.258 11.322 1.00 0.00 C ATOM 0 H THR A 56 -11.237 -0.592 12.063 1.00 0.00 H new ATOM 0 HA THR A 56 -11.800 -2.864 13.793 1.00 0.00 H new ATOM 0 HB THR A 56 -11.908 -4.024 11.691 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.154 -2.705 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.457 -2.630 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.815 -2.473 12.103 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.931 -1.181 11.256 1.00 0.00 H new ATOM 804 N GLY A 57 -8.783 -2.207 12.881 1.00 0.00 N ATOM 805 CA GLY A 57 -7.394 -2.587 13.077 1.00 0.00 C ATOM 806 C GLY A 57 -6.481 -1.850 12.095 1.00 0.00 C ATOM 807 O GLY A 57 -6.577 -0.633 11.946 1.00 0.00 O ATOM 0 H GLY A 57 -8.918 -1.298 12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.092 -2.361 14.100 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.285 -3.663 12.943 1.00 0.00 H new ATOM 811 N SER A 58 -5.616 -2.619 11.450 1.00 0.00 N ATOM 812 CA SER A 58 -4.686 -2.055 10.486 1.00 0.00 C ATOM 813 C SER A 58 -4.433 -3.054 9.356 1.00 0.00 C ATOM 814 O SER A 58 -4.417 -4.263 9.583 1.00 0.00 O ATOM 815 CB SER A 58 -3.367 -1.665 11.156 1.00 0.00 C ATOM 816 OG SER A 58 -2.797 -2.751 11.883 1.00 0.00 O ATOM 0 H SER A 58 -5.540 -3.628 11.576 1.00 0.00 H new ATOM 0 HA SER A 58 -5.131 -1.151 10.070 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.661 -1.326 10.398 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.537 -0.826 11.831 1.00 0.00 H new ATOM 0 HG SER A 58 -1.956 -2.463 12.295 1.00 0.00 H new ATOM 822 N VAL A 59 -4.240 -2.513 8.162 1.00 0.00 N ATOM 823 CA VAL A 59 -3.988 -3.342 6.996 1.00 0.00 C ATOM 824 C VAL A 59 -2.753 -2.819 6.260 1.00 0.00 C ATOM 825 O VAL A 59 -2.335 -1.682 6.473 1.00 0.00 O ATOM 826 CB VAL A 59 -5.235 -3.392 6.110 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.265 -4.376 6.669 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.843 -1.999 5.941 1.00 0.00 C ATOM 0 H VAL A 59 -4.253 -1.510 7.977 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.777 -4.368 7.296 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.933 -3.747 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.141 -4.393 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.828 -5.374 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.560 -4.064 7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.728 -2.063 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.124 -1.604 6.917 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.112 -1.337 5.478 1.00 0.00 H new ATOM 838 N GLU A 60 -2.204 -3.673 5.410 1.00 0.00 N ATOM 839 CA GLU A 60 -1.025 -3.311 4.642 1.00 0.00 C ATOM 840 C GLU A 60 -1.018 -4.048 3.301 1.00 0.00 C ATOM 841 O GLU A 60 -1.538 -5.158 3.196 1.00 0.00 O ATOM 842 CB GLU A 60 0.254 -3.598 5.431 1.00 0.00 C ATOM 843 CG GLU A 60 0.567 -2.458 6.402 1.00 0.00 C ATOM 844 CD GLU A 60 1.763 -2.806 7.289 1.00 0.00 C ATOM 845 OE1 GLU A 60 1.656 -3.817 8.016 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.759 -2.053 7.221 1.00 0.00 O ATOM 0 H GLU A 60 -2.554 -4.615 5.236 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.059 -2.239 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.143 -4.531 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.088 -3.733 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.778 -1.547 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.305 -2.256 7.024 1.00 0.00 H new ATOM 853 N ALA A 61 -0.424 -3.401 2.309 1.00 0.00 N ATOM 854 CA ALA A 61 -0.343 -3.980 0.979 1.00 0.00 C ATOM 855 C ALA A 61 0.793 -3.310 0.204 1.00 0.00 C ATOM 856 O ALA A 61 1.230 -2.216 0.558 1.00 0.00 O ATOM 857 CB ALA A 61 -1.694 -3.836 0.276 1.00 0.00 C ATOM 0 H ALA A 61 0.006 -2.481 2.400 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.118 -5.045 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.633 -4.270 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.461 -4.355 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.952 -2.780 0.197 1.00 0.00 H new ATOM 863 N GLN A 62 1.238 -3.994 -0.840 1.00 0.00 N ATOM 864 CA GLN A 62 2.314 -3.478 -1.669 1.00 0.00 C ATOM 865 C GLN A 62 2.357 -4.219 -3.006 1.00 0.00 C ATOM 866 O GLN A 62 1.691 -5.240 -3.176 1.00 0.00 O ATOM 867 CB GLN A 62 3.659 -3.576 -0.945 1.00 0.00 C ATOM 868 CG GLN A 62 3.821 -4.940 -0.271 1.00 0.00 C ATOM 869 CD GLN A 62 4.719 -5.859 -1.102 1.00 0.00 C ATOM 870 OE1 GLN A 62 4.269 -6.594 -1.965 1.00 0.00 O ATOM 871 NE2 GLN A 62 6.010 -5.775 -0.794 1.00 0.00 N ATOM 0 H GLN A 62 0.873 -4.901 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 62 2.120 -2.424 -1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.471 -3.419 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.732 -2.786 -0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.248 -4.810 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.843 -5.403 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.319 -5.138 -0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.691 -6.348 -1.292 1.00 0.00 H new ATOM 880 N THR A 63 3.146 -3.677 -3.923 1.00 0.00 N ATOM 881 CA THR A 63 3.283 -4.275 -5.240 1.00 0.00 C ATOM 882 C THR A 63 4.552 -5.126 -5.309 1.00 0.00 C ATOM 883 O THR A 63 5.342 -5.148 -4.366 1.00 0.00 O ATOM 884 CB THR A 63 3.249 -3.149 -6.275 1.00 0.00 C ATOM 885 OG1 THR A 63 4.384 -2.349 -5.956 1.00 0.00 O ATOM 886 CG2 THR A 63 2.061 -2.206 -6.077 1.00 0.00 C ATOM 0 H THR A 63 3.697 -2.830 -3.780 1.00 0.00 H new ATOM 0 HA THR A 63 2.460 -4.957 -5.453 1.00 0.00 H new ATOM 0 HB THR A 63 3.208 -3.579 -7.276 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.041 -2.410 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.085 -1.426 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.131 -2.769 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.119 -1.751 -5.088 1.00 0.00 H new ATOM 894 N ALA A 64 4.709 -5.807 -6.435 1.00 0.00 N ATOM 895 CA ALA A 64 5.869 -6.658 -6.640 1.00 0.00 C ATOM 896 C ALA A 64 7.141 -5.814 -6.530 1.00 0.00 C ATOM 897 O ALA A 64 7.102 -4.599 -6.715 1.00 0.00 O ATOM 898 CB ALA A 64 5.753 -7.363 -7.993 1.00 0.00 C ATOM 0 H ALA A 64 4.052 -5.787 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 64 5.918 -7.431 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.623 -8.001 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.849 -7.972 -8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.704 -6.619 -8.788 1.00 0.00 H new ATOM 904 N LEU A 65 8.239 -6.492 -6.229 1.00 0.00 N ATOM 905 CA LEU A 65 9.520 -5.821 -6.092 1.00 0.00 C ATOM 906 C LEU A 65 10.086 -5.523 -7.482 1.00 0.00 C ATOM 907 O LEU A 65 10.162 -6.412 -8.329 1.00 0.00 O ATOM 908 CB LEU A 65 10.462 -6.639 -5.207 1.00 0.00 C ATOM 909 CG LEU A 65 10.351 -6.391 -3.701 1.00 0.00 C ATOM 910 CD1 LEU A 65 9.644 -7.554 -3.004 1.00 0.00 C ATOM 911 CD2 LEU A 65 11.725 -6.106 -3.090 1.00 0.00 C ATOM 0 H LEU A 65 8.267 -7.500 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 65 9.396 -4.864 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.279 -7.697 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.487 -6.434 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 65 9.738 -5.503 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.579 -7.352 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.640 -7.668 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.208 -8.472 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.618 -5.933 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.381 -6.960 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.155 -5.221 -3.559 1.00 0.00 H new ATOM 923 N LYS A 66 10.468 -4.269 -7.674 1.00 0.00 N ATOM 924 CA LYS A 66 11.025 -3.843 -8.947 1.00 0.00 C ATOM 925 C LYS A 66 12.421 -3.261 -8.718 1.00 0.00 C ATOM 926 O LYS A 66 12.702 -2.712 -7.654 1.00 0.00 O ATOM 927 CB LYS A 66 10.067 -2.884 -9.657 1.00 0.00 C ATOM 928 CG LYS A 66 8.870 -3.637 -10.241 1.00 0.00 C ATOM 929 CD LYS A 66 8.694 -3.319 -11.727 1.00 0.00 C ATOM 930 CE LYS A 66 7.269 -3.628 -12.189 1.00 0.00 C ATOM 931 NZ LYS A 66 7.046 -3.117 -13.560 1.00 0.00 N ATOM 0 H LYS A 66 10.403 -3.534 -6.970 1.00 0.00 H new ATOM 0 HA LYS A 66 11.140 -4.695 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.718 -2.127 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.595 -2.360 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.011 -4.710 -10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.965 -3.366 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.918 -2.268 -11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.405 -3.901 -12.314 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.097 -4.704 -12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.552 -3.175 -11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.244 -3.619 -13.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.836 -2.099 -13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.901 -3.273 -14.132 1.00 0.00 H new ATOM 945 N LYS A 67 13.259 -3.400 -9.735 1.00 0.00 N ATOM 946 CA LYS A 67 14.619 -2.894 -9.658 1.00 0.00 C ATOM 947 C LYS A 67 14.588 -1.366 -9.594 1.00 0.00 C ATOM 948 O LYS A 67 13.745 -0.732 -10.226 1.00 0.00 O ATOM 949 CB LYS A 67 15.461 -3.444 -10.812 1.00 0.00 C ATOM 950 CG LYS A 67 15.545 -2.435 -11.959 1.00 0.00 C ATOM 951 CD LYS A 67 14.189 -2.274 -12.648 1.00 0.00 C ATOM 952 CE LYS A 67 13.879 -3.480 -13.537 1.00 0.00 C ATOM 953 NZ LYS A 67 12.425 -3.758 -13.544 1.00 0.00 N ATOM 0 H LYS A 67 13.022 -3.856 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 67 15.103 -3.242 -8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.464 -3.679 -10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.025 -4.375 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.879 -1.471 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.289 -2.765 -12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.407 -2.160 -11.897 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.188 -1.365 -13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.224 -3.288 -14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.421 -4.354 -13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.232 -4.579 -14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.106 -3.961 -12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.915 -2.929 -13.910 1.00 0.00 H new ATOM 967 N ARG A 68 15.517 -0.819 -8.824 1.00 0.00 N ATOM 968 CA ARG A 68 15.607 0.623 -8.669 1.00 0.00 C ATOM 969 C ARG A 68 15.778 1.294 -10.034 1.00 0.00 C ATOM 970 O ARG A 68 16.627 0.889 -10.826 1.00 0.00 O ATOM 971 CB ARG A 68 16.782 1.008 -7.768 1.00 0.00 C ATOM 972 CG ARG A 68 16.588 2.409 -7.184 1.00 0.00 C ATOM 973 CD ARG A 68 15.707 2.365 -5.934 1.00 0.00 C ATOM 974 NE ARG A 68 14.364 2.906 -6.242 1.00 0.00 N ATOM 975 CZ ARG A 68 13.522 3.395 -5.321 1.00 0.00 C ATOM 976 NH1 ARG A 68 13.879 3.414 -4.030 1.00 0.00 N ATOM 977 NH2 ARG A 68 12.324 3.866 -5.692 1.00 0.00 N ATOM 0 H ARG A 68 16.214 -1.349 -8.301 1.00 0.00 H new ATOM 0 HA ARG A 68 14.682 0.965 -8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.878 0.283 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.710 0.973 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.557 2.840 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.133 3.059 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.621 1.339 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.167 2.945 -5.134 1.00 0.00 H new ATOM 0 HE ARG A 68 14.060 2.907 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.792 3.056 -3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.238 3.786 -3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.053 3.852 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.683 4.238 -4.991 1.00 0.00 H new ATOM 991 N GLN A 69 14.958 2.309 -10.265 1.00 0.00 N ATOM 992 CA GLN A 69 15.008 3.040 -11.520 1.00 0.00 C ATOM 993 C GLN A 69 14.703 4.520 -11.284 1.00 0.00 C ATOM 994 O GLN A 69 14.059 4.876 -10.298 1.00 0.00 O ATOM 995 CB GLN A 69 14.045 2.437 -12.545 1.00 0.00 C ATOM 996 CG GLN A 69 14.683 1.246 -13.262 1.00 0.00 C ATOM 997 CD GLN A 69 15.794 1.706 -14.208 1.00 0.00 C ATOM 998 OE1 GLN A 69 15.951 2.881 -14.498 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.555 0.718 -14.669 1.00 0.00 N ATOM 0 H GLN A 69 14.256 2.642 -9.605 1.00 0.00 H new ATOM 0 HA GLN A 69 16.016 2.958 -11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.130 2.118 -12.046 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.762 3.196 -13.274 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.090 0.551 -12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.922 0.706 -13.825 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.369 -0.244 -14.386 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.325 0.922 -15.306 1.00 0.00 H new ATOM 1008 N LEU A 70 15.179 5.344 -12.206 1.00 0.00 N ATOM 1009 CA LEU A 70 14.964 6.778 -12.111 1.00 0.00 C ATOM 1010 C LEU A 70 13.465 7.058 -11.987 1.00 0.00 C ATOM 1011 O LEU A 70 13.065 8.130 -11.534 1.00 0.00 O ATOM 1012 CB LEU A 70 15.629 7.499 -13.286 1.00 0.00 C ATOM 1013 CG LEU A 70 17.078 7.941 -13.068 1.00 0.00 C ATOM 1014 CD1 LEU A 70 17.159 9.052 -12.019 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.968 6.749 -12.711 1.00 0.00 C ATOM 0 H LEU A 70 15.713 5.046 -13.022 1.00 0.00 H new ATOM 0 HA LEU A 70 15.438 7.175 -11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.597 6.842 -14.155 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.034 8.379 -13.530 1.00 0.00 H new ATOM 0 HG LEU A 70 17.454 8.353 -14.004 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.199 9.348 -11.882 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.578 9.911 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.758 8.689 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.992 7.091 -12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.603 6.284 -11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.944 6.021 -13.522 1.00 0.00 H new ATOM 1027 N HIS A 71 12.676 6.076 -12.398 1.00 0.00 N ATOM 1028 CA HIS A 71 11.230 6.203 -12.339 1.00 0.00 C ATOM 1029 C HIS A 71 10.589 4.816 -12.412 1.00 0.00 C ATOM 1030 O HIS A 71 10.179 4.373 -13.484 1.00 0.00 O ATOM 1031 CB HIS A 71 10.723 7.149 -13.430 1.00 0.00 C ATOM 1032 CG HIS A 71 9.228 7.364 -13.410 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.536 7.914 -14.474 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.302 7.096 -12.445 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.252 7.971 -14.153 1.00 0.00 C ATOM 1036 NE2 HIS A 71 7.109 7.464 -12.895 1.00 0.00 N ATOM 0 H HIS A 71 13.011 5.189 -12.773 1.00 0.00 H new ATOM 0 HA HIS A 71 10.939 6.649 -11.388 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.220 8.113 -13.321 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.010 6.751 -14.404 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.945 8.223 -15.356 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.505 6.659 -11.479 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.458 8.352 -14.778 1.00 0.00 H new ATOM 1044 N THR A 72 10.523 4.168 -11.258 1.00 0.00 N ATOM 1045 CA THR A 72 9.940 2.840 -11.177 1.00 0.00 C ATOM 1046 C THR A 72 8.412 2.929 -11.167 1.00 0.00 C ATOM 1047 O THR A 72 7.841 3.784 -10.492 1.00 0.00 O ATOM 1048 CB THR A 72 10.516 2.144 -9.943 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.914 2.071 -10.207 1.00 0.00 O ATOM 1050 CG2 THR A 72 10.079 0.682 -9.838 1.00 0.00 C ATOM 0 H THR A 72 10.864 4.539 -10.371 1.00 0.00 H new ATOM 0 HA THR A 72 10.195 2.242 -12.052 1.00 0.00 H new ATOM 0 HB THR A 72 10.206 2.680 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.366 1.634 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.516 0.235 -8.945 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.992 0.631 -9.775 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.418 0.137 -10.719 1.00 0.00 H new ATOM 1058 N THR A 73 7.794 2.033 -11.923 1.00 0.00 N ATOM 1059 CA THR A 73 6.344 1.999 -12.009 1.00 0.00 C ATOM 1060 C THR A 73 5.836 0.562 -11.883 1.00 0.00 C ATOM 1061 O THR A 73 6.584 -0.387 -12.114 1.00 0.00 O ATOM 1062 CB THR A 73 5.933 2.676 -13.318 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.581 1.906 -14.327 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.538 4.074 -13.470 1.00 0.00 C ATOM 0 H THR A 73 8.271 1.325 -12.481 1.00 0.00 H new ATOM 0 HA THR A 73 5.886 2.546 -11.185 1.00 0.00 H new ATOM 0 HB THR A 73 4.846 2.744 -13.365 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.366 2.276 -15.209 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.215 4.510 -14.415 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.205 4.706 -12.647 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.626 4.003 -13.456 1.00 0.00 H new ATOM 1072 N TRP A 74 4.568 0.447 -11.517 1.00 0.00 N ATOM 1073 CA TRP A 74 3.951 -0.859 -11.358 1.00 0.00 C ATOM 1074 C TRP A 74 2.670 -0.882 -12.195 1.00 0.00 C ATOM 1075 O TRP A 74 2.329 0.107 -12.842 1.00 0.00 O ATOM 1076 CB TRP A 74 3.705 -1.172 -9.880 1.00 0.00 C ATOM 1077 CG TRP A 74 4.983 -1.402 -9.072 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.532 -2.569 -8.709 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.857 -0.384 -8.538 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.690 -2.380 -7.982 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.894 -1.009 -7.875 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.773 1.017 -8.612 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.926 -0.311 -7.236 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.813 1.700 -7.969 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.864 1.086 -7.297 1.00 0.00 C ATOM 0 H TRP A 74 3.951 1.237 -11.326 1.00 0.00 H new ATOM 0 HA TRP A 74 4.615 -1.646 -11.716 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.148 -0.349 -9.433 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.076 -2.059 -9.807 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.120 -3.537 -8.955 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.286 -3.111 -7.595 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.970 1.526 -9.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.727 -0.823 -6.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.798 2.780 -7.997 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.629 1.684 -6.824 1.00 0.00 H new ATOM 1096 N GLU A 75 1.996 -2.022 -12.155 1.00 0.00 N ATOM 1097 CA GLU A 75 0.760 -2.187 -12.901 1.00 0.00 C ATOM 1098 C GLU A 75 -0.408 -2.437 -11.946 1.00 0.00 C ATOM 1099 O GLU A 75 -1.526 -1.990 -12.196 1.00 0.00 O ATOM 1100 CB GLU A 75 0.884 -3.319 -13.924 1.00 0.00 C ATOM 1101 CG GLU A 75 1.673 -2.863 -15.153 1.00 0.00 C ATOM 1102 CD GLU A 75 2.455 -4.027 -15.765 1.00 0.00 C ATOM 1103 OE1 GLU A 75 3.347 -4.545 -15.058 1.00 0.00 O ATOM 1104 OE2 GLU A 75 2.144 -4.372 -16.925 1.00 0.00 O ATOM 0 H GLU A 75 2.282 -2.840 -11.618 1.00 0.00 H new ATOM 0 HA GLU A 75 0.564 -1.265 -13.449 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.380 -4.175 -13.466 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.109 -3.650 -14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.990 -2.449 -15.895 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.361 -2.065 -14.873 1.00 0.00 H new ATOM 1111 N GLU A 76 -0.109 -3.151 -10.871 1.00 0.00 N ATOM 1112 CA GLU A 76 -1.121 -3.466 -9.876 1.00 0.00 C ATOM 1113 C GLU A 76 -1.096 -2.433 -8.748 1.00 0.00 C ATOM 1114 O GLU A 76 -0.138 -1.673 -8.619 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.929 -4.882 -9.328 1.00 0.00 C ATOM 1116 CG GLU A 76 0.310 -4.961 -8.435 1.00 0.00 C ATOM 1117 CD GLU A 76 0.661 -6.415 -8.111 1.00 0.00 C ATOM 1118 OE1 GLU A 76 0.361 -7.275 -8.967 1.00 0.00 O ATOM 1119 OE2 GLU A 76 1.221 -6.633 -7.016 1.00 0.00 O ATOM 0 H GLU A 76 0.819 -3.521 -10.667 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.099 -3.427 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.811 -5.178 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.831 -5.586 -10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.153 -4.482 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.132 -4.411 -7.511 1.00 0.00 H new ATOM 1126 N GLY A 77 -2.160 -2.440 -7.958 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.272 -1.513 -6.845 1.00 0.00 C ATOM 1128 C GLY A 77 -2.595 -2.254 -5.546 1.00 0.00 C ATOM 1129 O GLY A 77 -3.018 -3.409 -5.574 1.00 0.00 O ATOM 0 H GLY A 77 -2.952 -3.073 -8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.339 -0.961 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.052 -0.781 -7.054 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.383 -1.559 -4.438 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.646 -2.136 -3.131 1.00 0.00 C ATOM 1135 C LEU A 78 -4.158 -2.230 -2.914 1.00 0.00 C ATOM 1136 O LEU A 78 -4.934 -1.631 -3.658 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.917 -1.348 -2.040 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.449 -1.020 -2.319 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.059 -1.778 -3.546 1.00 0.00 C ATOM 1140 CD2 LEU A 78 -0.241 0.490 -2.450 1.00 0.00 C ATOM 0 H LEU A 78 -2.032 -0.601 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.252 -3.151 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.453 -0.413 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.972 -1.915 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 78 0.144 -1.354 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.105 -1.527 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.033 -2.851 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.533 -1.498 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.811 0.697 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.847 0.871 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.539 0.980 -1.523 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.532 -2.986 -1.893 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.937 -3.166 -1.569 1.00 0.00 C ATOM 1154 C VAL A 79 -6.093 -3.310 -0.054 1.00 0.00 C ATOM 1155 O VAL A 79 -5.918 -4.398 0.491 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.504 -4.358 -2.344 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -8.011 -4.491 -2.120 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -6.179 -4.247 -3.835 1.00 0.00 C ATOM 0 H VAL A 79 -3.886 -3.482 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.514 -2.293 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.028 -5.262 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.388 -5.345 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.209 -4.638 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.511 -3.584 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.593 -5.106 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.614 -3.331 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.098 -4.224 -3.971 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.420 -2.195 0.583 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.601 -2.182 2.024 1.00 0.00 C ATOM 1170 C LEU A 80 -8.097 -2.204 2.346 1.00 0.00 C ATOM 1171 O LEU A 80 -8.853 -1.367 1.855 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.855 -1.002 2.648 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.334 -1.139 2.734 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.897 -2.580 2.461 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.640 -0.144 1.801 1.00 0.00 C ATOM 0 H LEU A 80 -6.564 -1.294 0.127 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.165 -3.076 2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.087 -0.106 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.243 -0.844 3.654 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.026 -0.896 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.811 -2.650 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.350 -3.243 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.218 -2.875 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.559 -0.262 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.950 -0.332 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.916 0.872 2.083 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.489 -3.195 3.191 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.881 -3.336 3.584 1.00 0.00 C ATOM 1189 C PRO A 81 -10.275 -2.265 4.603 1.00 0.00 C ATOM 1190 O PRO A 81 -9.641 -2.135 5.649 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.993 -4.749 4.134 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.573 -5.183 4.459 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.622 -4.203 3.792 1.00 0.00 C ATOM 0 HA PRO A 81 -10.570 -3.191 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.622 -4.773 5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.448 -5.418 3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.415 -5.195 5.537 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.392 -6.196 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.940 -3.758 4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.008 -4.697 3.039 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.319 -1.524 4.261 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.804 -0.468 5.133 1.00 0.00 C ATOM 1203 C LEU A 82 -13.315 -0.311 4.945 1.00 0.00 C ATOM 1204 O LEU A 82 -13.842 -0.593 3.870 1.00 0.00 O ATOM 1205 CB LEU A 82 -11.018 0.823 4.900 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.590 2.084 5.551 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.370 2.067 7.066 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -11.015 3.345 4.904 1.00 0.00 C ATOM 0 H LEU A 82 -11.842 -1.634 3.392 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.638 -0.730 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.002 0.678 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.947 0.993 3.826 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.667 2.097 5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.786 2.974 7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.865 1.196 7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.302 2.018 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.438 4.226 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.931 3.352 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.265 3.356 3.843 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.968 0.138 6.007 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.407 0.336 5.972 1.00 0.00 C ATOM 1222 C ALA A 83 -15.708 1.816 5.728 1.00 0.00 C ATOM 1223 O ALA A 83 -15.066 2.688 6.312 1.00 0.00 O ATOM 1224 CB ALA A 83 -16.024 -0.178 7.274 1.00 0.00 C ATOM 0 H ALA A 83 -13.527 0.370 6.897 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.853 -0.230 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.104 -0.030 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.806 -1.240 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.603 0.369 8.117 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.684 2.054 4.864 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.078 3.413 4.536 1.00 0.00 C ATOM 1232 C GLU A 84 -17.419 4.189 5.809 1.00 0.00 C ATOM 1233 O GLU A 84 -17.426 5.419 5.808 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.254 3.422 3.557 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.399 4.789 2.887 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.873 5.165 2.720 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.534 4.512 1.884 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.306 6.096 3.434 1.00 0.00 O ATOM 0 H GLU A 84 -17.214 1.328 4.381 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.237 3.906 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.105 2.655 2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.174 3.173 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.892 5.547 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.911 4.774 1.912 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.694 3.438 6.866 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.035 4.041 8.144 1.00 0.00 C ATOM 1247 C GLU A 85 -16.765 4.362 8.934 1.00 0.00 C ATOM 1248 O GLU A 85 -16.826 5.024 9.970 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.966 3.131 8.948 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.169 2.085 9.730 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.906 0.744 9.761 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -20.064 0.744 10.232 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.295 -0.250 9.313 1.00 0.00 O ATOM 0 H GLU A 85 -17.688 2.418 6.864 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.567 4.973 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.560 3.731 9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.664 2.633 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.188 1.954 9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -18.003 2.436 10.748 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.646 3.880 8.416 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.364 4.108 9.061 1.00 0.00 C ATOM 1262 C GLU A 86 -13.482 5.003 8.188 1.00 0.00 C ATOM 1263 O GLU A 86 -12.402 5.416 8.608 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.663 2.784 9.371 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.608 1.818 10.089 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.921 1.172 11.294 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.693 0.957 11.199 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.638 0.908 12.282 1.00 0.00 O ATOM 0 H GLU A 86 -15.600 3.332 7.557 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.542 4.618 10.008 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.308 2.331 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.786 2.969 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.499 2.353 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.938 1.044 9.396 1.00 0.00 H new ATOM 1275 N LEU A 87 -13.976 5.278 6.990 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.247 6.117 6.054 1.00 0.00 C ATOM 1277 C LEU A 87 -12.664 7.319 6.801 1.00 0.00 C ATOM 1278 O LEU A 87 -11.475 7.609 6.685 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.138 6.501 4.872 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.155 5.520 3.698 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.304 5.833 2.737 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.802 5.496 2.984 1.00 0.00 C ATOM 0 H LEU A 87 -14.873 4.935 6.646 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.408 5.569 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.159 6.619 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.817 7.474 4.502 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.329 4.519 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.293 5.121 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.253 5.758 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.186 6.843 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.841 4.791 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.573 6.492 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.026 5.188 3.685 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.553 8.003 7.570 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.139 9.167 8.335 1.00 0.00 C ATOM 1296 C PRO A 88 -12.335 8.754 9.570 1.00 0.00 C ATOM 1297 O PRO A 88 -11.520 9.527 10.071 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.431 9.890 8.682 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.541 8.867 8.502 1.00 0.00 C ATOM 1300 CD PRO A 88 -14.969 7.689 7.731 1.00 0.00 C ATOM 0 HA PRO A 88 -12.470 9.821 7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.407 10.264 9.705 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.584 10.751 8.031 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.920 8.541 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.380 9.305 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.108 6.755 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.461 7.572 6.765 1.00 0.00 H new ATOM 1308 N THR A 89 -12.593 7.537 10.025 1.00 0.00 N ATOM 1309 CA THR A 89 -11.904 7.012 11.191 1.00 0.00 C ATOM 1310 C THR A 89 -10.735 6.121 10.764 1.00 0.00 C ATOM 1311 O THR A 89 -10.316 5.240 11.513 1.00 0.00 O ATOM 1312 CB THR A 89 -12.933 6.288 12.062 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.030 4.991 11.480 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.340 6.870 11.912 1.00 0.00 C ATOM 0 H THR A 89 -13.270 6.899 9.607 1.00 0.00 H new ATOM 0 HA THR A 89 -11.462 7.813 11.783 1.00 0.00 H new ATOM 0 HB THR A 89 -12.627 6.343 13.107 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.764 4.497 11.901 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.031 6.320 12.551 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.332 7.920 12.204 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.660 6.785 10.874 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.243 6.382 9.562 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.131 5.615 9.026 1.00 0.00 C ATOM 1324 C ALA A 90 -8.174 6.557 8.293 1.00 0.00 C ATOM 1325 O ALA A 90 -8.571 7.638 7.861 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.666 4.506 8.118 1.00 0.00 C ATOM 0 H ALA A 90 -10.594 7.114 8.944 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.572 5.137 9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.832 3.931 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.317 3.848 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.231 4.948 7.297 1.00 0.00 H new ATOM 1332 N THR A 91 -6.931 6.112 8.176 1.00 0.00 N ATOM 1333 CA THR A 91 -5.914 6.902 7.503 1.00 0.00 C ATOM 1334 C THR A 91 -4.923 5.989 6.778 1.00 0.00 C ATOM 1335 O THR A 91 -4.572 4.923 7.282 1.00 0.00 O ATOM 1336 CB THR A 91 -5.255 7.810 8.543 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.338 8.241 9.364 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.713 9.104 7.932 1.00 0.00 C ATOM 0 H THR A 91 -6.606 5.215 8.536 1.00 0.00 H new ATOM 0 HA THR A 91 -6.351 7.534 6.730 1.00 0.00 H new ATOM 0 HB THR A 91 -4.443 7.272 9.032 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.000 8.834 10.067 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.256 9.712 8.713 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.966 8.864 7.175 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.530 9.659 7.472 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.500 6.441 5.607 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.556 5.678 4.808 1.00 0.00 C ATOM 1348 C LEU A 92 -2.173 6.327 4.901 1.00 0.00 C ATOM 1349 O LEU A 92 -2.063 7.534 5.111 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.068 5.526 3.374 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.039 5.065 2.340 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.665 3.597 2.555 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -3.537 5.326 0.917 1.00 0.00 C ATOM 0 H LEU A 92 -4.793 7.325 5.192 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.460 4.664 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.894 4.815 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.474 6.484 3.051 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.131 5.652 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.932 3.295 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.240 3.472 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.556 2.977 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.787 4.989 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.467 4.782 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.713 6.393 0.783 1.00 0.00 H new ATOM 1365 N THR A 93 -1.153 5.497 4.742 1.00 0.00 N ATOM 1366 CA THR A 93 0.218 5.975 4.806 1.00 0.00 C ATOM 1367 C THR A 93 1.104 5.182 3.844 1.00 0.00 C ATOM 1368 O THR A 93 1.347 3.994 4.055 1.00 0.00 O ATOM 1369 CB THR A 93 0.678 5.896 6.263 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.105 6.883 6.928 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.119 6.377 6.448 1.00 0.00 C ATOM 0 H THR A 93 -1.248 4.496 4.569 1.00 0.00 H new ATOM 0 HA THR A 93 0.291 7.014 4.483 1.00 0.00 H new ATOM 0 HB THR A 93 0.589 4.869 6.617 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.128 6.899 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.396 6.300 7.499 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.789 5.758 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.200 7.415 6.126 1.00 0.00 H new ATOM 1379 N LEU A 94 1.564 5.870 2.809 1.00 0.00 N ATOM 1380 CA LEU A 94 2.419 5.244 1.815 1.00 0.00 C ATOM 1381 C LEU A 94 3.837 5.119 2.374 1.00 0.00 C ATOM 1382 O LEU A 94 4.398 6.091 2.877 1.00 0.00 O ATOM 1383 CB LEU A 94 2.345 6.005 0.490 1.00 0.00 C ATOM 1384 CG LEU A 94 1.219 5.591 -0.460 1.00 0.00 C ATOM 1385 CD1 LEU A 94 1.197 6.480 -1.705 1.00 0.00 C ATOM 1386 CD2 LEU A 94 1.323 4.107 -0.818 1.00 0.00 C ATOM 0 H LEU A 94 1.361 6.855 2.637 1.00 0.00 H new ATOM 0 HA LEU A 94 2.073 4.234 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.236 7.067 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.295 5.883 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 94 0.268 5.733 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.388 6.164 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.040 7.517 -1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.148 6.393 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.511 3.838 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.279 3.916 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.252 3.508 0.090 1.00 0.00 H new ATOM 1398 N THR A 95 4.377 3.914 2.266 1.00 0.00 N ATOM 1399 CA THR A 95 5.720 3.649 2.755 1.00 0.00 C ATOM 1400 C THR A 95 6.532 2.895 1.700 1.00 0.00 C ATOM 1401 O THR A 95 6.179 1.780 1.319 1.00 0.00 O ATOM 1402 CB THR A 95 5.600 2.897 4.082 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.195 2.797 4.299 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.103 3.721 5.269 1.00 0.00 C ATOM 0 H THR A 95 3.909 3.110 1.847 1.00 0.00 H new ATOM 0 HA THR A 95 6.265 4.575 2.938 1.00 0.00 H new ATOM 0 HB THR A 95 6.162 1.965 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.027 2.321 5.139 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.996 3.141 6.186 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.153 3.972 5.119 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.519 4.638 5.349 1.00 0.00 H new ATOM 1412 N LEU A 96 7.605 3.534 1.258 1.00 0.00 N ATOM 1413 CA LEU A 96 8.471 2.938 0.255 1.00 0.00 C ATOM 1414 C LEU A 96 9.682 2.305 0.943 1.00 0.00 C ATOM 1415 O LEU A 96 10.645 2.995 1.271 1.00 0.00 O ATOM 1416 CB LEU A 96 8.840 3.968 -0.815 1.00 0.00 C ATOM 1417 CG LEU A 96 10.014 3.599 -1.724 1.00 0.00 C ATOM 1418 CD1 LEU A 96 9.582 2.601 -2.799 1.00 0.00 C ATOM 1419 CD2 LEU A 96 10.654 4.851 -2.328 1.00 0.00 C ATOM 0 H LEU A 96 7.895 4.459 1.576 1.00 0.00 H new ATOM 0 HA LEU A 96 7.950 2.139 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.964 4.144 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.072 4.910 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 96 10.775 3.109 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.435 2.355 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.209 1.693 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.793 3.042 -3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.486 4.561 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.912 5.391 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.020 5.494 -1.528 1.00 0.00 H new ATOM 1431 N ARG A 97 9.593 0.998 1.142 1.00 0.00 N ATOM 1432 CA ARG A 97 10.669 0.264 1.785 1.00 0.00 C ATOM 1433 C ARG A 97 11.601 -0.342 0.734 1.00 0.00 C ATOM 1434 O ARG A 97 11.205 -0.537 -0.414 1.00 0.00 O ATOM 1435 CB ARG A 97 10.119 -0.854 2.674 1.00 0.00 C ATOM 1436 CG ARG A 97 9.248 -0.284 3.795 1.00 0.00 C ATOM 1437 CD ARG A 97 8.026 -1.170 4.044 1.00 0.00 C ATOM 1438 NE ARG A 97 8.445 -2.452 4.653 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.690 -3.558 4.671 1.00 0.00 C ATOM 1440 NH1 ARG A 97 6.471 -3.547 4.114 1.00 0.00 N ATOM 1441 NH2 ARG A 97 8.152 -4.676 5.247 1.00 0.00 N ATOM 0 H ARG A 97 8.792 0.429 0.869 1.00 0.00 H new ATOM 0 HA ARG A 97 11.224 0.967 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.534 -1.548 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.945 -1.422 3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.835 -0.202 4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.924 0.723 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.324 -0.658 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.505 -1.357 3.105 1.00 0.00 H new ATOM 0 HE ARG A 97 9.367 -2.496 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.118 -2.696 3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.896 -4.390 4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.079 -4.685 5.672 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.577 -5.518 5.260 1.00 0.00 H new ATOM 1455 N THR A 98 12.823 -0.623 1.164 1.00 0.00 N ATOM 1456 CA THR A 98 13.814 -1.202 0.274 1.00 0.00 C ATOM 1457 C THR A 98 14.163 -2.624 0.718 1.00 0.00 C ATOM 1458 O THR A 98 14.336 -2.882 1.908 1.00 0.00 O ATOM 1459 CB THR A 98 15.022 -0.263 0.236 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.222 0.099 1.600 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.711 1.063 -0.460 1.00 0.00 C ATOM 0 H THR A 98 13.149 -0.460 2.117 1.00 0.00 H new ATOM 0 HA THR A 98 13.427 -1.298 -0.740 1.00 0.00 H new ATOM 0 HB THR A 98 15.849 -0.755 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.988 0.706 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.601 1.692 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.403 0.871 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.907 1.573 0.071 1.00 0.00 H new ATOM 1469 N CYS A 99 14.257 -3.510 -0.263 1.00 0.00 N ATOM 1470 CA CYS A 99 14.583 -4.899 0.012 1.00 0.00 C ATOM 1471 C CYS A 99 15.897 -4.939 0.795 1.00 0.00 C ATOM 1472 O CYS A 99 15.919 -4.658 1.992 1.00 0.00 O ATOM 1473 CB CYS A 99 14.658 -5.727 -1.272 1.00 0.00 C ATOM 1474 SG CYS A 99 15.219 -7.426 -0.889 1.00 0.00 S ATOM 0 H CYS A 99 14.113 -3.293 -1.249 1.00 0.00 H new ATOM 0 HA CYS A 99 13.791 -5.349 0.611 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.680 -5.758 -1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.345 -5.259 -1.977 1.00 0.00 H new ATOM 0 HG CYS A 99 15.277 -8.121 -1.986 1.00 0.00 H new ATOM 1599 N VAL A 107 11.650 3.553 6.557 1.00 0.00 N ATOM 1600 CA VAL A 107 11.296 3.359 5.161 1.00 0.00 C ATOM 1601 C VAL A 107 12.067 4.360 4.299 1.00 0.00 C ATOM 1602 O VAL A 107 12.674 5.294 4.820 1.00 0.00 O ATOM 1603 CB VAL A 107 9.779 3.463 4.986 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.049 2.548 5.971 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.309 4.912 5.133 1.00 0.00 C ATOM 0 HA VAL A 107 11.580 2.360 4.831 1.00 0.00 H new ATOM 0 HB VAL A 107 9.535 3.131 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.973 2.641 5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.350 1.515 5.799 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.303 2.835 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.228 4.959 5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.573 5.281 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.791 5.530 4.375 1.00 0.00 H new ATOM 1615 N ALA A 108 12.019 4.131 2.995 1.00 0.00 N ATOM 1616 CA ALA A 108 12.706 5.001 2.056 1.00 0.00 C ATOM 1617 C ALA A 108 11.979 6.346 1.989 1.00 0.00 C ATOM 1618 O ALA A 108 12.581 7.364 1.649 1.00 0.00 O ATOM 1619 CB ALA A 108 12.789 4.315 0.691 1.00 0.00 C ATOM 0 H ALA A 108 11.515 3.355 2.566 1.00 0.00 H new ATOM 0 HA ALA A 108 13.727 5.193 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.304 4.968 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.339 3.379 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.783 4.109 0.326 1.00 0.00 H new ATOM 1625 N GLY A 109 10.697 6.307 2.319 1.00 0.00 N ATOM 1626 CA GLY A 109 9.882 7.510 2.300 1.00 0.00 C ATOM 1627 C GLY A 109 8.477 7.229 2.837 1.00 0.00 C ATOM 1628 O GLY A 109 7.841 6.254 2.440 1.00 0.00 O ATOM 0 H GLY A 109 10.202 5.461 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.357 8.285 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.816 7.893 1.282 1.00 0.00 H new ATOM 1632 N GLU A 110 8.035 8.102 3.731 1.00 0.00 N ATOM 1633 CA GLU A 110 6.717 7.960 4.326 1.00 0.00 C ATOM 1634 C GLU A 110 5.778 9.048 3.802 1.00 0.00 C ATOM 1635 O GLU A 110 6.038 10.237 3.981 1.00 0.00 O ATOM 1636 CB GLU A 110 6.798 7.995 5.853 1.00 0.00 C ATOM 1637 CG GLU A 110 6.793 6.580 6.435 1.00 0.00 C ATOM 1638 CD GLU A 110 7.650 6.504 7.700 1.00 0.00 C ATOM 1639 OE1 GLU A 110 8.651 7.251 7.753 1.00 0.00 O ATOM 1640 OE2 GLU A 110 7.286 5.700 8.585 1.00 0.00 O ATOM 0 H GLU A 110 8.566 8.909 4.057 1.00 0.00 H new ATOM 0 HA GLU A 110 6.313 6.989 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.705 8.515 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.955 8.559 6.253 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.770 6.282 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.171 5.876 5.693 1.00 0.00 H new ATOM 1647 N LEU A 111 4.705 8.603 3.164 1.00 0.00 N ATOM 1648 CA LEU A 111 3.726 9.525 2.613 1.00 0.00 C ATOM 1649 C LEU A 111 2.399 9.357 3.356 1.00 0.00 C ATOM 1650 O LEU A 111 2.056 8.255 3.781 1.00 0.00 O ATOM 1651 CB LEU A 111 3.610 9.340 1.098 1.00 0.00 C ATOM 1652 CG LEU A 111 3.933 10.569 0.246 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.394 10.159 -1.154 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.744 11.532 0.200 1.00 0.00 C ATOM 0 H LEU A 111 4.492 7.616 3.016 1.00 0.00 H new ATOM 0 HA LEU A 111 4.047 10.556 2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.275 8.530 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.594 9.020 0.868 1.00 0.00 H new ATOM 0 HG LEU A 111 4.761 11.102 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.617 11.051 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.290 9.543 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.604 9.591 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.000 12.397 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.881 11.025 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.503 11.861 1.211 1.00 0.00 H new ATOM 1666 N ARG A 112 1.689 10.468 3.491 1.00 0.00 N ATOM 1667 CA ARG A 112 0.407 10.458 4.176 1.00 0.00 C ATOM 1668 C ARG A 112 -0.722 10.778 3.194 1.00 0.00 C ATOM 1669 O ARG A 112 -0.534 11.555 2.259 1.00 0.00 O ATOM 1670 CB ARG A 112 0.385 11.477 5.317 1.00 0.00 C ATOM 1671 CG ARG A 112 -1.044 11.718 5.808 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.629 10.451 6.436 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.767 10.628 7.899 1.00 0.00 N ATOM 1674 CZ ARG A 112 -0.804 10.339 8.784 1.00 0.00 C ATOM 1675 NH1 ARG A 112 0.372 9.857 8.361 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -1.018 10.531 10.093 1.00 0.00 N ATOM 0 H ARG A 112 1.977 11.381 3.138 1.00 0.00 H new ATOM 0 HA ARG A 112 0.260 9.461 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.001 11.119 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.821 12.417 4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.050 12.527 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.670 12.037 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.601 10.232 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.983 9.599 6.224 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.650 10.993 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.534 9.710 7.365 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.105 9.637 9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.914 10.897 10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.285 10.311 10.767 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.869 10.162 3.440 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.028 10.372 2.589 1.00 0.00 C ATOM 1692 C LEU A 113 -4.301 10.236 3.426 1.00 0.00 C ATOM 1693 O LEU A 113 -4.242 9.857 4.595 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.983 9.433 1.382 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.700 9.472 0.549 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.665 8.321 -0.458 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.527 10.832 -0.129 1.00 0.00 C ATOM 0 H LEU A 113 -2.021 9.518 4.216 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.022 11.382 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.133 8.413 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.823 9.671 0.730 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.853 9.338 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.743 8.372 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.707 7.371 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.520 8.399 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.608 10.832 -0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.376 11.022 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.474 11.613 0.630 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.422 10.553 2.796 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.708 10.471 3.469 1.00 0.00 C ATOM 1711 C GLY A 114 -7.716 9.684 2.630 1.00 0.00 C ATOM 1712 O GLY A 114 -7.590 9.610 1.408 1.00 0.00 O ATOM 0 H GLY A 114 -5.467 10.867 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.584 9.991 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.090 11.475 3.656 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.695 9.116 3.318 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.725 8.337 2.652 1.00 0.00 C ATOM 1718 C LEU A 115 -11.060 9.079 2.746 1.00 0.00 C ATOM 1719 O LEU A 115 -11.914 8.941 1.871 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.771 6.915 3.215 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.437 6.344 3.702 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.293 6.752 2.772 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.166 6.744 5.154 1.00 0.00 C ATOM 0 H LEU A 115 -8.797 9.180 4.331 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.494 8.228 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.477 6.897 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.168 6.253 2.445 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.501 5.256 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.357 6.333 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.488 6.375 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.218 7.839 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.212 6.325 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.130 7.831 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.963 6.361 5.792 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.199 9.849 3.814 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.416 10.613 4.034 1.00 0.00 C ATOM 1737 C ASP A 116 -12.652 11.541 2.841 1.00 0.00 C ATOM 1738 O ASP A 116 -13.773 11.993 2.614 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.304 11.477 5.291 1.00 0.00 C ATOM 1740 CG ASP A 116 -13.219 12.703 5.316 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -14.410 12.529 4.977 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -12.708 13.786 5.674 1.00 0.00 O ATOM 0 H ASP A 116 -10.489 9.961 4.538 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.240 9.909 4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.527 10.858 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.271 11.811 5.394 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.577 11.798 2.110 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.653 12.665 0.946 1.00 0.00 C ATOM 1749 C GLY A 117 -11.322 14.111 1.317 1.00 0.00 C ATOM 1750 O GLY A 117 -12.188 14.983 1.266 1.00 0.00 O ATOM 0 H GLY A 117 -10.649 11.421 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -10.960 12.314 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.654 12.616 0.516 1.00 0.00 H new ATOM 1754 N THR A 118 -10.066 14.322 1.682 1.00 0.00 N ATOM 1755 CA THR A 118 -9.609 15.648 2.062 1.00 0.00 C ATOM 1756 C THR A 118 -8.215 15.916 1.490 1.00 0.00 C ATOM 1757 O THR A 118 -8.070 16.665 0.525 1.00 0.00 O ATOM 1758 CB THR A 118 -9.670 15.751 3.587 1.00 0.00 C ATOM 1759 OG1 THR A 118 -8.681 16.725 3.909 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.180 14.478 4.280 1.00 0.00 C ATOM 0 H THR A 118 -9.350 13.597 1.723 1.00 0.00 H new ATOM 0 HA THR A 118 -10.252 16.422 1.644 1.00 0.00 H new ATOM 0 HB THR A 118 -10.694 15.961 3.896 1.00 0.00 H new ATOM 0 HG1 THR A 118 -8.654 16.855 4.880 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.244 14.604 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.801 13.636 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.145 14.286 3.998 1.00 0.00 H new ATOM 1768 N SER A 119 -7.226 15.290 2.110 1.00 0.00 N ATOM 1769 CA SER A 119 -5.849 15.451 1.675 1.00 0.00 C ATOM 1770 C SER A 119 -5.726 15.106 0.189 1.00 0.00 C ATOM 1771 O SER A 119 -5.091 15.837 -0.570 1.00 0.00 O ATOM 1772 CB SER A 119 -4.904 14.578 2.503 1.00 0.00 C ATOM 1773 OG SER A 119 -4.626 15.152 3.777 1.00 0.00 O ATOM 0 H SER A 119 -7.351 14.670 2.910 1.00 0.00 H new ATOM 0 HA SER A 119 -5.562 16.492 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.347 13.592 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.971 14.436 1.958 1.00 0.00 H new ATOM 0 HG SER A 119 -4.021 14.564 4.276 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.342 13.993 -0.180 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.309 13.543 -1.561 1.00 0.00 C ATOM 1781 C VAL A 120 -7.661 12.924 -1.924 1.00 0.00 C ATOM 1782 O VAL A 120 -8.229 12.164 -1.141 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.136 12.583 -1.771 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -3.828 13.351 -1.969 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.022 11.595 -0.608 1.00 0.00 C ATOM 0 H VAL A 120 -6.867 13.390 0.453 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.146 14.385 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.329 12.011 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.010 12.645 -2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -3.913 13.995 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.627 13.961 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.181 10.924 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.863 12.143 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.941 11.013 -0.533 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.149 13.281 -3.142 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.422 12.769 -3.617 1.00 0.00 C ATOM 1797 C PRO A 121 -9.297 11.309 -4.058 1.00 0.00 C ATOM 1798 O PRO A 121 -8.189 10.789 -4.187 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.822 13.699 -4.751 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.547 14.411 -5.175 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.503 14.179 -4.095 1.00 0.00 C ATOM 0 HA PRO A 121 -10.186 12.758 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.252 13.140 -5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.577 14.413 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.196 14.028 -6.133 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.731 15.477 -5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.598 13.733 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.209 15.115 -3.620 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.447 10.689 -4.275 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.479 9.299 -4.698 1.00 0.00 C ATOM 1811 C LEU A 122 -10.621 9.237 -6.221 1.00 0.00 C ATOM 1812 O LEU A 122 -11.094 10.186 -6.843 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.573 8.536 -3.948 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.315 8.285 -2.461 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.601 7.869 -1.744 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.193 7.263 -2.264 1.00 0.00 C ATOM 0 H LEU A 122 -11.364 11.123 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.543 8.802 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.507 9.089 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.719 7.574 -4.439 1.00 0.00 H new ATOM 0 HG LEU A 122 -10.982 9.220 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.390 7.697 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.344 8.661 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -12.987 6.953 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.030 7.103 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.473 6.320 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.276 7.637 -2.719 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.201 8.110 -6.776 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.275 7.911 -8.214 1.00 0.00 C ATOM 1830 C GLY A 123 -9.514 9.010 -8.959 1.00 0.00 C ATOM 1831 O GLY A 123 -9.706 9.199 -10.159 1.00 0.00 O ATOM 0 H GLY A 123 -9.808 7.325 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.859 6.937 -8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.318 7.907 -8.531 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.667 9.707 -8.216 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.877 10.783 -8.791 1.00 0.00 C ATOM 1837 C ALA A 124 -6.391 10.493 -8.569 1.00 0.00 C ATOM 1838 O ALA A 124 -5.902 10.569 -7.443 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.309 12.117 -8.179 1.00 0.00 C ATOM 0 H ALA A 124 -8.510 9.548 -7.221 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.043 10.849 -9.866 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.717 12.924 -8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.364 12.289 -8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.154 12.090 -7.100 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.715 10.167 -9.661 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.295 9.866 -9.599 1.00 0.00 C ATOM 1847 C ALA A 125 -3.506 11.171 -9.479 1.00 0.00 C ATOM 1848 O ALA A 125 -3.628 12.055 -10.325 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.892 9.053 -10.831 1.00 0.00 C ATOM 0 H ALA A 125 -6.124 10.105 -10.593 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.069 9.262 -8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.827 8.827 -10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.460 8.123 -10.855 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.102 9.629 -11.732 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.713 11.251 -8.420 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.904 12.433 -8.177 1.00 0.00 C ATOM 1857 C GLN A 126 -0.534 12.034 -7.626 1.00 0.00 C ATOM 1858 O GLN A 126 -0.413 11.037 -6.916 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.617 13.400 -7.230 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.272 12.648 -6.070 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.754 13.009 -5.950 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -5.604 12.174 -5.687 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.016 14.297 -6.157 1.00 0.00 N ATOM 0 H GLN A 126 -2.614 10.516 -7.720 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.755 12.950 -9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.903 14.126 -6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.374 13.960 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.167 11.574 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -2.759 12.889 -5.139 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -4.257 14.943 -6.373 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -5.976 14.638 -6.099 1.00 0.00 H new ATOM 1872 N TRP A 127 0.464 12.834 -7.973 1.00 0.00 N ATOM 1873 CA TRP A 127 1.821 12.578 -7.521 1.00 0.00 C ATOM 1874 C TRP A 127 1.963 13.143 -6.107 1.00 0.00 C ATOM 1875 O TRP A 127 1.206 14.027 -5.709 1.00 0.00 O ATOM 1876 CB TRP A 127 2.843 13.155 -8.502 1.00 0.00 C ATOM 1877 CG TRP A 127 3.114 12.263 -9.715 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.478 12.261 -10.895 1.00 0.00 C ATOM 1879 CD2 TRP A 127 4.124 11.238 -9.821 1.00 0.00 C ATOM 1880 NE1 TRP A 127 3.002 11.312 -11.749 1.00 0.00 N ATOM 1881 CE2 TRP A 127 4.035 10.671 -11.075 1.00 0.00 C ATOM 1882 CE3 TRP A 127 5.081 10.804 -8.887 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.874 9.638 -11.511 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.912 9.772 -9.337 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.835 9.190 -10.598 1.00 0.00 C ATOM 0 H TRP A 127 0.360 13.660 -8.562 1.00 0.00 H new ATOM 0 HA TRP A 127 2.022 11.507 -7.489 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.490 14.126 -8.850 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.781 13.327 -7.974 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.659 12.919 -11.146 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.689 11.117 -12.700 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.168 11.233 -7.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.784 9.210 -12.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.666 9.402 -8.658 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.514 8.396 -10.871 1.00 0.00 H new ATOM 1896 N GLY A 128 2.939 12.611 -5.386 1.00 0.00 N ATOM 1897 CA GLY A 128 3.190 13.052 -4.024 1.00 0.00 C ATOM 1898 C GLY A 128 4.651 12.819 -3.634 1.00 0.00 C ATOM 1899 O GLY A 128 5.228 11.784 -3.963 1.00 0.00 O ATOM 0 H GLY A 128 3.566 11.878 -5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.949 14.111 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.536 12.514 -3.337 1.00 0.00 H new ATOM 1903 N GLU A 129 5.207 13.800 -2.938 1.00 0.00 N ATOM 1904 CA GLU A 129 6.590 13.716 -2.499 1.00 0.00 C ATOM 1905 C GLU A 129 6.676 12.996 -1.151 1.00 0.00 C ATOM 1906 O GLU A 129 5.904 13.286 -0.238 1.00 0.00 O ATOM 1907 CB GLU A 129 7.226 15.105 -2.420 1.00 0.00 C ATOM 1908 CG GLU A 129 8.554 15.058 -1.662 1.00 0.00 C ATOM 1909 CD GLU A 129 9.144 16.460 -1.501 1.00 0.00 C ATOM 1910 OE1 GLU A 129 9.190 17.177 -2.524 1.00 0.00 O ATOM 1911 OE2 GLU A 129 9.534 16.784 -0.359 1.00 0.00 O ATOM 0 H GLU A 129 4.725 14.657 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 129 7.150 13.138 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.391 15.491 -3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.543 15.794 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.401 14.609 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.260 14.422 -2.197 1.00 0.00 H new ATOM 1918 N LEU A 130 7.622 12.072 -1.069 1.00 0.00 N ATOM 1919 CA LEU A 130 7.819 11.309 0.151 1.00 0.00 C ATOM 1920 C LEU A 130 8.356 12.234 1.245 1.00 0.00 C ATOM 1921 O LEU A 130 9.295 12.994 1.014 1.00 0.00 O ATOM 1922 CB LEU A 130 8.707 10.092 -0.115 1.00 0.00 C ATOM 1923 CG LEU A 130 8.096 8.995 -0.990 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.177 8.051 -1.520 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.997 8.242 -0.238 1.00 0.00 C ATOM 0 H LEU A 130 8.261 11.835 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 130 6.869 10.910 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.628 10.435 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.984 9.653 0.843 1.00 0.00 H new ATOM 0 HG LEU A 130 7.629 9.468 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.716 7.281 -2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.893 8.616 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.693 7.582 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.580 7.468 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.418 7.782 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.209 8.939 0.049 1.00 0.00 H new ATOM 1937 N LYS A 131 7.737 12.140 2.413 1.00 0.00 N ATOM 1938 CA LYS A 131 8.141 12.959 3.543 1.00 0.00 C ATOM 1939 C LYS A 131 9.541 12.539 3.996 1.00 0.00 C ATOM 1940 O LYS A 131 10.324 13.370 4.454 1.00 0.00 O ATOM 1941 CB LYS A 131 7.090 12.896 4.653 1.00 0.00 C ATOM 1942 CG LYS A 131 5.713 13.308 4.129 1.00 0.00 C ATOM 1943 CD LYS A 131 5.724 14.757 3.638 1.00 0.00 C ATOM 1944 CE LYS A 131 5.497 14.826 2.126 1.00 0.00 C ATOM 1945 NZ LYS A 131 5.293 16.227 1.696 1.00 0.00 N ATOM 0 H LYS A 131 6.958 11.509 2.601 1.00 0.00 H new ATOM 0 HA LYS A 131 8.201 14.008 3.252 1.00 0.00 H new ATOM 0 HB2 LYS A 131 7.042 11.884 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.382 13.552 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.417 12.647 3.315 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.970 13.193 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.948 15.325 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.678 15.222 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 131 6.354 14.400 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 131 4.628 14.226 1.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.140 16.256 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.462 16.621 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.133 16.790 1.937 1.00 0.00 H new