USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 582 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 85 GLN : amide:sc=-0.00156 X(o=-0.14,f=0) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.2) USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= -0.247 (180deg=-0.957) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.274 K(o=-0.27,f=-2.2!) USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0056) USER MOD Single : A 84 HIS : no HE2:sc= 0.414 K(o=0.41,f=-2.6!) USER MOD Single : B 168 SER OG : rot 180:sc= -1.47 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= -0.804 K(o=-0.8,f=-5.1!) USER MOD Single : B 175 ASN : amide:sc= -0.226 K(o=-0.23,f=-0.84) USER MOD Single : B 176 MET CE :methyl 153:sc= -5.59! (180deg=-8.53!) USER MOD Single : B 184 THR OG1 : rot 180:sc= -0.0947 USER MOD Single : B 185 MET CE :methyl 129:sc= 0 (180deg=-0.239) USER MOD Single : B 188 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.21) USER MOD Single : B 189 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : B 191 SER OG : rot 117:sc= 0.394 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ 155:sc= 0 (180deg=-1.26) USER MOD Single : B 197 GLN : amide:sc= -2.43 K(o=-2.4,f=-4.5!) USER MOD Single : B 198 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.066) USER MOD Single : B 199 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 -0.152 -18.747 2.262 1.00 0.00 N ATOM 162 CA LEU A 62 -0.183 -17.516 1.412 1.00 0.00 C ATOM 163 C LEU A 62 -1.402 -16.661 1.769 1.00 0.00 C ATOM 164 O LEU A 62 -1.386 -15.452 1.622 1.00 0.00 O ATOM 165 CB LEU A 62 -0.287 -18.020 -0.028 1.00 0.00 C ATOM 166 CG LEU A 62 -0.237 -16.833 -0.990 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.205 -16.606 -1.448 1.00 0.00 C ATOM 168 CD2 LEU A 62 -1.116 -17.126 -2.208 1.00 0.00 C ATOM 0 HA LEU A 62 0.700 -16.894 1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.529 -18.710 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.216 -18.573 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.602 -15.940 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.240 -15.760 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.833 -16.398 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.571 -17.499 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.081 -16.280 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.750 -18.019 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.144 -17.288 -1.884 1.00 0.00 H new ATOM 180 N GLU A 63 -2.456 -17.281 2.237 1.00 0.00 N ATOM 181 CA GLU A 63 -3.682 -16.508 2.606 1.00 0.00 C ATOM 182 C GLU A 63 -3.402 -15.628 3.826 1.00 0.00 C ATOM 183 O GLU A 63 -3.986 -14.573 3.987 1.00 0.00 O ATOM 184 CB GLU A 63 -4.740 -17.563 2.937 1.00 0.00 C ATOM 185 CG GLU A 63 -6.126 -17.030 2.568 1.00 0.00 C ATOM 186 CD GLU A 63 -6.478 -15.850 3.477 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.898 -16.095 4.595 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.321 -14.723 3.038 1.00 0.00 O ATOM 0 H GLU A 63 -2.521 -18.289 2.380 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.008 -15.847 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.535 -18.483 2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.704 -17.809 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.140 -16.716 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.871 -17.819 2.674 1.00 0.00 H new ATOM 195 N GLU A 64 -2.511 -16.056 4.682 1.00 0.00 N ATOM 196 CA GLU A 64 -2.184 -15.247 5.897 1.00 0.00 C ATOM 197 C GLU A 64 -1.416 -13.990 5.493 1.00 0.00 C ATOM 198 O GLU A 64 -1.712 -12.899 5.941 1.00 0.00 O ATOM 199 CB GLU A 64 -1.313 -16.156 6.766 1.00 0.00 C ATOM 200 CG GLU A 64 -2.208 -17.039 7.636 1.00 0.00 C ATOM 201 CD GLU A 64 -1.511 -17.317 8.969 1.00 0.00 C ATOM 202 OE1 GLU A 64 -0.305 -17.504 8.957 1.00 0.00 O ATOM 203 OE2 GLU A 64 -2.194 -17.338 9.980 1.00 0.00 O ATOM 0 H GLU A 64 -1.995 -16.931 4.593 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.077 -14.920 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.674 -16.776 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.655 -15.555 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.165 -16.546 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.421 -17.977 7.123 1.00 0.00 H new ATOM 210 N THR A 65 -0.434 -14.141 4.644 1.00 0.00 N ATOM 211 CA THR A 65 0.360 -12.957 4.194 1.00 0.00 C ATOM 212 C THR A 65 -0.547 -11.983 3.443 1.00 0.00 C ATOM 213 O THR A 65 -0.347 -10.784 3.474 1.00 0.00 O ATOM 214 CB THR A 65 1.436 -13.522 3.262 1.00 0.00 C ATOM 215 OG1 THR A 65 2.088 -14.611 3.899 1.00 0.00 O ATOM 216 CG2 THR A 65 2.458 -12.430 2.940 1.00 0.00 C ATOM 0 H THR A 65 -0.146 -15.033 4.242 1.00 0.00 H new ATOM 0 HA THR A 65 0.801 -12.411 5.028 1.00 0.00 H new ATOM 0 HB THR A 65 0.972 -13.867 2.338 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.776 -14.975 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.224 -12.832 2.277 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.956 -11.595 2.451 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.923 -12.083 3.863 1.00 0.00 H new ATOM 224 N LYS A 66 -1.551 -12.495 2.775 1.00 0.00 N ATOM 225 CA LYS A 66 -2.487 -11.605 2.026 1.00 0.00 C ATOM 226 C LYS A 66 -3.252 -10.710 3.005 1.00 0.00 C ATOM 227 O LYS A 66 -3.657 -9.613 2.670 1.00 0.00 O ATOM 228 CB LYS A 66 -3.448 -12.547 1.296 1.00 0.00 C ATOM 229 CG LYS A 66 -2.951 -12.779 -0.132 1.00 0.00 C ATOM 230 CD LYS A 66 -3.570 -11.737 -1.065 1.00 0.00 C ATOM 231 CE LYS A 66 -3.020 -11.928 -2.481 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.565 -10.782 -3.262 1.00 0.00 N ATOM 0 H LYS A 66 -1.762 -13.491 2.717 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.963 -10.949 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.516 -13.496 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.450 -12.119 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.864 -12.712 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.218 -13.783 -0.463 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.655 -11.836 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.343 -10.733 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.930 -11.926 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.339 -12.881 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.232 -10.842 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.604 -10.814 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.240 -9.889 -2.841 1.00 0.00 H new ATOM 246 N GLU A 67 -3.449 -11.175 4.214 1.00 0.00 N ATOM 247 CA GLU A 67 -4.186 -10.355 5.224 1.00 0.00 C ATOM 248 C GLU A 67 -3.421 -9.065 5.512 1.00 0.00 C ATOM 249 O GLU A 67 -4.005 -8.006 5.654 1.00 0.00 O ATOM 250 CB GLU A 67 -4.261 -11.227 6.480 1.00 0.00 C ATOM 251 CG GLU A 67 -5.550 -10.915 7.243 1.00 0.00 C ATOM 252 CD GLU A 67 -5.411 -11.378 8.694 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.695 -12.535 8.956 1.00 0.00 O ATOM 254 OE2 GLU A 67 -5.022 -10.567 9.518 1.00 0.00 O ATOM 0 H GLU A 67 -3.132 -12.086 4.545 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.178 -10.068 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.235 -12.282 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.396 -11.042 7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.754 -9.845 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.395 -11.416 6.770 1.00 0.00 H new ATOM 261 N GLN A 68 -2.118 -9.145 5.591 1.00 0.00 N ATOM 262 CA GLN A 68 -1.305 -7.921 5.862 1.00 0.00 C ATOM 263 C GLN A 68 -1.231 -7.063 4.598 1.00 0.00 C ATOM 264 O GLN A 68 -1.147 -5.851 4.664 1.00 0.00 O ATOM 265 CB GLN A 68 0.083 -8.436 6.250 1.00 0.00 C ATOM 266 CG GLN A 68 0.993 -7.253 6.594 1.00 0.00 C ATOM 267 CD GLN A 68 0.468 -6.549 7.847 1.00 0.00 C ATOM 268 OE1 GLN A 68 0.688 -7.004 8.952 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.224 -5.449 7.721 1.00 0.00 N ATOM 0 H GLN A 68 -1.581 -10.005 5.480 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.734 -7.301 6.649 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.006 -9.109 7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.511 -9.010 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.012 -7.602 6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.028 -6.553 5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.409 -5.066 6.794 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.579 -4.972 8.550 1.00 0.00 H new ATOM 278 N ILE A 69 -1.272 -7.689 3.451 1.00 0.00 N ATOM 279 CA ILE A 69 -1.216 -6.921 2.171 1.00 0.00 C ATOM 280 C ILE A 69 -2.581 -6.289 1.888 1.00 0.00 C ATOM 281 O ILE A 69 -2.677 -5.268 1.233 1.00 0.00 O ATOM 282 CB ILE A 69 -0.859 -7.952 1.093 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.474 -8.623 1.440 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.733 -7.252 -0.262 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.671 -9.855 0.555 1.00 0.00 C ATOM 0 H ILE A 69 -1.342 -8.701 3.345 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.487 -6.111 2.203 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.644 -8.707 1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.295 -7.922 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.485 -8.912 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.479 -7.985 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.680 -6.776 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.050 -6.496 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.619 -10.332 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.144 -10.559 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.679 -9.553 -0.492 1.00 0.00 H new ATOM 297 N LEU A 70 -3.639 -6.886 2.385 1.00 0.00 N ATOM 298 CA LEU A 70 -5.002 -6.319 2.155 1.00 0.00 C ATOM 299 C LEU A 70 -5.211 -5.092 3.046 1.00 0.00 C ATOM 300 O LEU A 70 -5.893 -4.156 2.675 1.00 0.00 O ATOM 301 CB LEU A 70 -5.976 -7.437 2.541 1.00 0.00 C ATOM 302 CG LEU A 70 -6.553 -8.079 1.276 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.368 -9.316 1.655 1.00 0.00 C ATOM 304 CD2 LEU A 70 -7.459 -7.071 0.565 1.00 0.00 C ATOM 0 H LEU A 70 -3.615 -7.742 2.940 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.148 -5.998 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.462 -8.189 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.781 -7.035 3.156 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.739 -8.372 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.778 -9.772 0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.725 -10.034 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.183 -9.026 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.871 -7.525 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.272 -6.781 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.879 -6.189 0.294 1.00 0.00 H new ATOM 316 N LYS A 71 -4.622 -5.090 4.216 1.00 0.00 N ATOM 317 CA LYS A 71 -4.778 -3.921 5.136 1.00 0.00 C ATOM 318 C LYS A 71 -4.045 -2.708 4.562 1.00 0.00 C ATOM 319 O LYS A 71 -4.452 -1.578 4.754 1.00 0.00 O ATOM 320 CB LYS A 71 -4.140 -4.357 6.456 1.00 0.00 C ATOM 321 CG LYS A 71 -4.840 -3.653 7.620 1.00 0.00 C ATOM 322 CD LYS A 71 -6.137 -4.392 7.968 1.00 0.00 C ATOM 323 CE LYS A 71 -5.907 -5.295 9.182 1.00 0.00 C ATOM 324 NZ LYS A 71 -5.297 -6.538 8.632 1.00 0.00 N ATOM 0 H LYS A 71 -4.040 -5.847 4.574 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.822 -3.636 5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.219 -5.438 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.078 -4.114 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.182 -3.625 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.060 -2.619 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.929 -3.675 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.467 -4.988 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.247 -4.820 9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.844 -5.510 9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.434 -7.319 9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.751 -6.777 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.279 -6.387 8.479 1.00 0.00 H new ATOM 338 N LEU A 72 -2.970 -2.942 3.852 1.00 0.00 N ATOM 339 CA LEU A 72 -2.204 -1.807 3.253 1.00 0.00 C ATOM 340 C LEU A 72 -3.017 -1.168 2.124 1.00 0.00 C ATOM 341 O LEU A 72 -2.888 0.011 1.847 1.00 0.00 O ATOM 342 CB LEU A 72 -0.919 -2.433 2.703 1.00 0.00 C ATOM 343 CG LEU A 72 0.243 -2.153 3.660 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.490 -2.895 3.178 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.524 -0.647 3.697 1.00 0.00 C ATOM 0 H LEU A 72 -2.590 -3.869 3.661 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.990 -1.023 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.051 -3.508 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.697 -2.024 1.717 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.019 -2.497 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.318 -2.696 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.289 -3.966 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.753 -2.552 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.351 -0.448 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.786 -0.301 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.365 -0.119 4.042 1.00 0.00 H new ATOM 357 N GLU A 73 -3.851 -1.938 1.473 1.00 0.00 N ATOM 358 CA GLU A 73 -4.679 -1.381 0.359 1.00 0.00 C ATOM 359 C GLU A 73 -5.712 -0.400 0.915 1.00 0.00 C ATOM 360 O GLU A 73 -6.061 0.574 0.276 1.00 0.00 O ATOM 361 CB GLU A 73 -5.370 -2.589 -0.277 1.00 0.00 C ATOM 362 CG GLU A 73 -5.430 -2.403 -1.794 1.00 0.00 C ATOM 363 CD GLU A 73 -4.052 -2.679 -2.399 1.00 0.00 C ATOM 364 OE1 GLU A 73 -3.068 -2.361 -1.753 1.00 0.00 O ATOM 365 OE2 GLU A 73 -4.005 -3.205 -3.500 1.00 0.00 O ATOM 0 H GLU A 73 -3.995 -2.929 1.664 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.077 -0.835 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.827 -3.502 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.377 -2.700 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.169 -3.078 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.747 -1.388 -2.034 1.00 0.00 H new ATOM 372 N GLU A 74 -6.198 -0.649 2.104 1.00 0.00 N ATOM 373 CA GLU A 74 -7.206 0.271 2.712 1.00 0.00 C ATOM 374 C GLU A 74 -6.510 1.531 3.226 1.00 0.00 C ATOM 375 O GLU A 74 -7.064 2.614 3.199 1.00 0.00 O ATOM 376 CB GLU A 74 -7.822 -0.513 3.874 1.00 0.00 C ATOM 377 CG GLU A 74 -9.193 -1.054 3.462 1.00 0.00 C ATOM 378 CD GLU A 74 -9.591 -2.200 4.393 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.864 -1.929 5.551 1.00 0.00 O ATOM 380 OE2 GLU A 74 -9.615 -3.330 3.933 1.00 0.00 O ATOM 0 H GLU A 74 -5.940 -1.450 2.680 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.964 0.587 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.166 -1.336 4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.922 0.131 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.938 -0.259 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.162 -1.404 2.430 1.00 0.00 H new ATOM 387 N LYS A 75 -5.296 1.392 3.689 1.00 0.00 N ATOM 388 CA LYS A 75 -4.544 2.575 4.204 1.00 0.00 C ATOM 389 C LYS A 75 -4.055 3.429 3.032 1.00 0.00 C ATOM 390 O LYS A 75 -3.923 4.633 3.144 1.00 0.00 O ATOM 391 CB LYS A 75 -3.360 1.994 4.978 1.00 0.00 C ATOM 392 CG LYS A 75 -3.107 2.833 6.233 1.00 0.00 C ATOM 393 CD LYS A 75 -2.210 2.053 7.198 1.00 0.00 C ATOM 394 CE LYS A 75 -1.974 2.885 8.461 1.00 0.00 C ATOM 395 NZ LYS A 75 -1.085 2.047 9.312 1.00 0.00 N ATOM 0 H LYS A 75 -4.791 0.507 3.733 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.160 3.216 4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.565 0.960 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.470 1.985 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.634 3.777 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.053 3.078 6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.677 1.103 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.259 1.821 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.507 3.841 8.223 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.913 3.107 8.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.877 2.550 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.559 1.147 9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.197 1.858 8.805 1.00 0.00 H new ATOM 409 N LEU A 76 -3.794 2.810 1.907 1.00 0.00 N ATOM 410 CA LEU A 76 -3.319 3.579 0.718 1.00 0.00 C ATOM 411 C LEU A 76 -4.497 4.301 0.064 1.00 0.00 C ATOM 412 O LEU A 76 -4.348 5.366 -0.506 1.00 0.00 O ATOM 413 CB LEU A 76 -2.735 2.532 -0.232 1.00 0.00 C ATOM 414 CG LEU A 76 -1.985 3.233 -1.365 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.636 3.735 -0.851 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.756 2.245 -2.512 1.00 0.00 C ATOM 0 H LEU A 76 -3.890 1.805 1.762 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.582 4.337 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.060 1.870 0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.532 1.910 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.575 4.077 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.102 4.235 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.797 4.438 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.046 2.891 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.221 2.744 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.166 1.401 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.717 1.886 -2.880 1.00 0.00 H new ATOM 428 N LEU A 77 -5.670 3.727 0.151 1.00 0.00 N ATOM 429 CA LEU A 77 -6.872 4.374 -0.454 1.00 0.00 C ATOM 430 C LEU A 77 -7.334 5.531 0.433 1.00 0.00 C ATOM 431 O LEU A 77 -7.826 6.535 -0.047 1.00 0.00 O ATOM 432 CB LEU A 77 -7.940 3.275 -0.513 1.00 0.00 C ATOM 433 CG LEU A 77 -8.130 2.814 -1.961 1.00 0.00 C ATOM 434 CD1 LEU A 77 -6.845 2.154 -2.464 1.00 0.00 C ATOM 435 CD2 LEU A 77 -9.278 1.804 -2.026 1.00 0.00 C ATOM 0 H LEU A 77 -5.847 2.837 0.616 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.670 4.785 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.642 2.432 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.883 3.649 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.363 3.675 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.983 1.827 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.025 2.871 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.609 1.293 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.415 1.475 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.042 0.945 -1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.195 2.273 -1.670 1.00 0.00 H new ATOM 447 N ALA A 78 -7.171 5.395 1.724 1.00 0.00 N ATOM 448 CA ALA A 78 -7.591 6.486 2.653 1.00 0.00 C ATOM 449 C ALA A 78 -6.619 7.663 2.551 1.00 0.00 C ATOM 450 O ALA A 78 -6.989 8.804 2.758 1.00 0.00 O ATOM 451 CB ALA A 78 -7.538 5.869 4.052 1.00 0.00 C ATOM 0 H ALA A 78 -6.765 4.575 2.175 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.585 6.867 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.835 6.614 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.219 5.019 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.523 5.533 4.263 1.00 0.00 H new ATOM 457 N LEU A 79 -5.380 7.392 2.227 1.00 0.00 N ATOM 458 CA LEU A 79 -4.376 8.491 2.103 1.00 0.00 C ATOM 459 C LEU A 79 -4.606 9.263 0.802 1.00 0.00 C ATOM 460 O LEU A 79 -4.482 10.473 0.762 1.00 0.00 O ATOM 461 CB LEU A 79 -3.013 7.790 2.082 1.00 0.00 C ATOM 462 CG LEU A 79 -1.956 8.696 2.718 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.285 8.916 4.196 1.00 0.00 C ATOM 464 CD2 LEU A 79 -0.583 8.034 2.598 1.00 0.00 C ATOM 0 H LEU A 79 -5.020 6.455 2.043 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.446 9.210 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.070 6.846 2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.732 7.552 1.056 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.948 9.657 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.530 9.561 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.264 9.387 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.296 7.957 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.172 8.677 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.596 7.073 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.344 7.879 1.546 1.00 0.00 H new ATOM 476 N GLN A 80 -4.949 8.572 -0.254 1.00 0.00 N ATOM 477 CA GLN A 80 -5.200 9.265 -1.554 1.00 0.00 C ATOM 478 C GLN A 80 -6.506 10.058 -1.473 1.00 0.00 C ATOM 479 O GLN A 80 -6.663 11.078 -2.118 1.00 0.00 O ATOM 480 CB GLN A 80 -5.311 8.147 -2.595 1.00 0.00 C ATOM 481 CG GLN A 80 -3.980 8.001 -3.334 1.00 0.00 C ATOM 482 CD GLN A 80 -3.927 8.996 -4.495 1.00 0.00 C ATOM 483 OE1 GLN A 80 -4.950 9.376 -5.030 1.00 0.00 O ATOM 484 NE2 GLN A 80 -2.771 9.436 -4.911 1.00 0.00 N ATOM 0 H GLN A 80 -5.066 7.559 -0.273 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.409 9.970 -1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.573 7.208 -2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.109 8.373 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.151 8.180 -2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.870 6.983 -3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.912 9.117 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.726 10.099 -5.685 1.00 0.00 H new ATOM 493 N GLU A 81 -7.437 9.598 -0.677 1.00 0.00 N ATOM 494 CA GLU A 81 -8.735 10.325 -0.538 1.00 0.00 C ATOM 495 C GLU A 81 -8.516 11.641 0.210 1.00 0.00 C ATOM 496 O GLU A 81 -9.230 12.606 0.008 1.00 0.00 O ATOM 497 CB GLU A 81 -9.639 9.391 0.270 1.00 0.00 C ATOM 498 CG GLU A 81 -10.503 8.565 -0.685 1.00 0.00 C ATOM 499 CD GLU A 81 -11.817 9.303 -0.950 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.432 9.739 0.008 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.185 9.419 -2.108 1.00 0.00 O ATOM 0 H GLU A 81 -7.354 8.750 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.175 10.572 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.035 8.732 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.273 9.971 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.971 8.399 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.705 7.584 -0.254 1.00 0.00 H new ATOM 508 N GLU A 82 -7.532 11.686 1.073 1.00 0.00 N ATOM 509 CA GLU A 82 -7.257 12.940 1.838 1.00 0.00 C ATOM 510 C GLU A 82 -6.754 14.030 0.887 1.00 0.00 C ATOM 511 O GLU A 82 -7.167 15.172 0.971 1.00 0.00 O ATOM 512 CB GLU A 82 -6.174 12.568 2.859 1.00 0.00 C ATOM 513 CG GLU A 82 -6.789 12.489 4.259 1.00 0.00 C ATOM 514 CD GLU A 82 -5.673 12.456 5.305 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.925 11.493 5.312 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.588 13.393 6.081 1.00 0.00 O ATOM 0 H GLU A 82 -6.907 10.907 1.281 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.150 13.328 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.725 11.611 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.376 13.310 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.438 13.347 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.410 11.597 4.345 1.00 0.00 H new ATOM 523 N LYS A 83 -5.874 13.684 -0.020 1.00 0.00 N ATOM 524 CA LYS A 83 -5.353 14.702 -0.985 1.00 0.00 C ATOM 525 C LYS A 83 -6.502 15.239 -1.842 1.00 0.00 C ATOM 526 O LYS A 83 -6.472 16.366 -2.298 1.00 0.00 O ATOM 527 CB LYS A 83 -4.334 13.960 -1.853 1.00 0.00 C ATOM 528 CG LYS A 83 -3.695 14.936 -2.841 1.00 0.00 C ATOM 529 CD LYS A 83 -2.365 14.366 -3.337 1.00 0.00 C ATOM 530 CE LYS A 83 -2.629 13.155 -4.233 1.00 0.00 C ATOM 531 NZ LYS A 83 -2.848 13.723 -5.592 1.00 0.00 N ATOM 0 H LYS A 83 -5.495 12.744 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.899 15.555 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.566 13.508 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.823 13.149 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.365 15.108 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.532 15.901 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.815 15.127 -3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.743 14.076 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.785 12.466 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.501 12.595 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.484 13.101 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.276 14.667 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.937 13.799 -6.088 1.00 0.00 H new ATOM 545 N HIS A 84 -7.517 14.438 -2.056 1.00 0.00 N ATOM 546 CA HIS A 84 -8.678 14.896 -2.877 1.00 0.00 C ATOM 547 C HIS A 84 -9.365 16.079 -2.192 1.00 0.00 C ATOM 548 O HIS A 84 -9.904 16.956 -2.843 1.00 0.00 O ATOM 549 CB HIS A 84 -9.625 13.697 -2.950 1.00 0.00 C ATOM 550 CG HIS A 84 -10.483 13.808 -4.180 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.875 15.032 -4.699 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.034 12.858 -5.004 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.628 14.787 -5.788 1.00 0.00 C ATOM 554 NE2 HIS A 84 -11.755 13.478 -6.018 1.00 0.00 N ATOM 0 H HIS A 84 -7.591 13.486 -1.697 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.374 15.228 -3.870 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.053 12.770 -2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.252 13.661 -2.059 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -10.637 15.950 -4.324 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.924 11.790 -4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -12.075 15.556 -6.401 1.00 0.00 H new ATOM 562 N GLN A 85 -9.345 16.108 -0.884 1.00 0.00 N ATOM 563 CA GLN A 85 -9.994 17.237 -0.147 1.00 0.00 C ATOM 564 C GLN A 85 -9.307 18.558 -0.507 1.00 0.00 C ATOM 565 O GLN A 85 -9.951 19.575 -0.680 1.00 0.00 O ATOM 566 CB GLN A 85 -9.799 16.919 1.337 1.00 0.00 C ATOM 567 CG GLN A 85 -10.878 17.630 2.171 1.00 0.00 C ATOM 568 CD GLN A 85 -10.220 18.452 3.282 1.00 0.00 C ATOM 569 OE1 GLN A 85 -10.258 18.075 4.437 1.00 0.00 O ATOM 570 NE2 GLN A 85 -9.614 19.568 2.979 1.00 0.00 N ATOM 0 H GLN A 85 -8.908 15.400 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.049 17.341 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.854 15.842 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.808 17.239 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.475 18.280 1.531 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.558 16.896 2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.582 19.884 2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.172 20.124 3.712 1.00 0.00 H new ATOM 579 N LEU A 86 -8.003 18.543 -0.623 1.00 0.00 N ATOM 580 CA LEU A 86 -7.261 19.794 -0.974 1.00 0.00 C ATOM 581 C LEU A 86 -7.717 20.311 -2.341 1.00 0.00 C ATOM 582 O LEU A 86 -7.793 21.504 -2.568 1.00 0.00 O ATOM 583 CB LEU A 86 -5.786 19.390 -1.020 1.00 0.00 C ATOM 584 CG LEU A 86 -5.167 19.552 0.369 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.059 18.514 0.560 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.574 20.958 0.501 1.00 0.00 C ATOM 0 H LEU A 86 -7.419 17.718 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.439 20.592 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.692 18.356 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.252 20.008 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.936 19.406 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.618 18.630 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.478 17.512 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.290 18.659 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.132 21.075 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.806 21.102 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.362 21.699 0.365 1.00 0.00 H new ATOM 598 N PHE A 87 -8.020 19.420 -3.252 1.00 0.00 N ATOM 599 CA PHE A 87 -8.474 19.855 -4.610 1.00 0.00 C ATOM 600 C PHE A 87 -9.766 20.666 -4.494 1.00 0.00 C ATOM 601 O PHE A 87 -9.973 21.626 -5.211 1.00 0.00 O ATOM 602 CB PHE A 87 -8.717 18.563 -5.394 1.00 0.00 C ATOM 603 CG PHE A 87 -7.468 18.195 -6.159 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.491 17.390 -5.561 1.00 0.00 C ATOM 605 CD2 PHE A 87 -7.289 18.656 -7.468 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.335 17.049 -6.271 1.00 0.00 C ATOM 607 CE2 PHE A 87 -6.132 18.314 -8.179 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.154 17.511 -7.580 1.00 0.00 C ATOM 0 H PHE A 87 -7.973 18.410 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.739 20.490 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.989 17.757 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.552 18.694 -6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.630 17.032 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.043 19.276 -7.930 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.581 16.429 -5.809 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.994 18.670 -9.189 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.261 17.248 -8.127 1.00 0.00 H new ATOM 618 N LEU A 88 -10.628 20.287 -3.588 1.00 0.00 N ATOM 619 CA LEU A 88 -11.908 21.035 -3.405 1.00 0.00 C ATOM 620 C LEU A 88 -11.642 22.332 -2.636 1.00 0.00 C ATOM 621 O LEU A 88 -12.334 23.318 -2.805 1.00 0.00 O ATOM 622 CB LEU A 88 -12.808 20.101 -2.593 1.00 0.00 C ATOM 623 CG LEU A 88 -13.556 19.163 -3.540 1.00 0.00 C ATOM 624 CD1 LEU A 88 -12.659 17.977 -3.898 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.825 18.652 -2.854 1.00 0.00 C ATOM 0 H LEU A 88 -10.501 19.490 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.369 21.310 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.209 19.523 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.518 20.683 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.825 19.703 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.193 17.308 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -11.754 18.339 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -12.390 17.437 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.359 17.983 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.556 18.112 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.465 19.496 -2.598 1.00 0.00 H new ATOM 637 N GLN A 89 -10.639 22.333 -1.796 1.00 0.00 N ATOM 638 CA GLN A 89 -10.307 23.558 -1.011 1.00 0.00 C ATOM 639 C GLN A 89 -9.212 24.379 -1.710 1.00 0.00 C ATOM 640 O GLN A 89 -8.809 25.418 -1.221 1.00 0.00 O ATOM 641 CB GLN A 89 -9.802 23.031 0.333 1.00 0.00 C ATOM 642 CG GLN A 89 -9.694 24.185 1.331 1.00 0.00 C ATOM 643 CD GLN A 89 -9.574 23.624 2.751 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.151 24.159 3.677 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.846 22.561 2.963 1.00 0.00 N ATOM 0 H GLN A 89 -10.032 21.532 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.167 24.220 -0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.482 22.270 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.830 22.555 0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.826 24.801 1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.571 24.828 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.361 22.111 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.762 22.180 3.905 1.00 0.00 H new ATOM 654 N LEU A 90 -8.724 23.928 -2.847 1.00 0.00 N ATOM 655 CA LEU A 90 -7.653 24.692 -3.564 1.00 0.00 C ATOM 656 C LEU A 90 -8.146 26.102 -3.906 1.00 0.00 C ATOM 657 O LEU A 90 -7.716 27.035 -3.246 1.00 0.00 O ATOM 658 CB LEU A 90 -7.378 23.898 -4.844 1.00 0.00 C ATOM 659 CG LEU A 90 -6.236 24.556 -5.620 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.939 24.449 -4.815 1.00 0.00 C ATOM 661 CD2 LEU A 90 -6.062 23.848 -6.965 1.00 0.00 C ATOM 662 OXT LEU A 90 -8.944 26.225 -4.820 1.00 0.00 O ATOM 0 H LEU A 90 -9.022 23.067 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.756 24.805 -2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.118 22.869 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.276 23.860 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.470 25.607 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.127 24.918 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.063 24.953 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.702 23.399 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.248 24.316 -7.520 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.828 22.797 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.985 23.926 -7.540 1.00 0.00 H new ATOM 675 N GLY B 166 -10.204 28.462 -0.898 1.00 0.00 N ATOM 676 CA GLY B 166 -8.732 28.643 -1.044 1.00 0.00 C ATOM 677 C GLY B 166 -8.231 29.633 0.009 1.00 0.00 C ATOM 678 O GLY B 166 -8.978 30.075 0.860 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.224 27.685 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -8.498 29.010 -2.043 1.00 0.00 H new ATOM 684 N LEU B 167 -6.972 29.984 -0.048 1.00 0.00 N ATOM 685 CA LEU B 167 -6.410 30.949 0.947 1.00 0.00 C ATOM 686 C LEU B 167 -5.462 31.942 0.265 1.00 0.00 C ATOM 687 O LEU B 167 -5.566 33.139 0.467 1.00 0.00 O ATOM 688 CB LEU B 167 -5.670 30.104 2.004 1.00 0.00 C ATOM 689 CG LEU B 167 -4.715 29.079 1.355 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.273 29.592 1.413 1.00 0.00 C ATOM 691 CD2 LEU B 167 -4.819 27.750 2.108 1.00 0.00 C ATOM 0 H LEU B 167 -6.307 29.644 -0.742 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.198 31.543 1.410 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.103 30.762 2.663 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.397 29.581 2.625 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.995 28.935 0.311 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.608 28.861 0.953 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.201 30.537 0.875 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.982 29.743 2.453 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -4.147 27.021 1.655 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -4.541 27.900 3.151 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -5.843 27.381 2.055 1.00 0.00 H new ATOM 703 N SER B 168 -4.541 31.465 -0.536 1.00 0.00 N ATOM 704 CA SER B 168 -3.593 32.396 -1.226 1.00 0.00 C ATOM 705 C SER B 168 -3.033 31.783 -2.520 1.00 0.00 C ATOM 706 O SER B 168 -2.075 32.285 -3.077 1.00 0.00 O ATOM 707 CB SER B 168 -2.467 32.620 -0.217 1.00 0.00 C ATOM 708 OG SER B 168 -3.028 32.830 1.073 1.00 0.00 O ATOM 0 H SER B 168 -4.404 30.475 -0.742 1.00 0.00 H new ATOM 0 HA SER B 168 -4.088 33.321 -1.522 1.00 0.00 H new ATOM 0 HB2 SER B 168 -1.801 31.758 -0.201 1.00 0.00 H new ATOM 0 HB3 SER B 168 -1.866 33.481 -0.510 1.00 0.00 H new ATOM 0 HG SER B 168 -2.309 32.973 1.723 1.00 0.00 H new ATOM 714 N LYS B 169 -3.614 30.707 -3.008 1.00 0.00 N ATOM 715 CA LYS B 169 -3.110 30.062 -4.266 1.00 0.00 C ATOM 716 C LYS B 169 -1.593 29.848 -4.206 1.00 0.00 C ATOM 717 O LYS B 169 -0.924 29.796 -5.221 1.00 0.00 O ATOM 718 CB LYS B 169 -3.469 31.035 -5.389 1.00 0.00 C ATOM 719 CG LYS B 169 -3.441 30.297 -6.729 1.00 0.00 C ATOM 720 CD LYS B 169 -4.625 29.330 -6.803 1.00 0.00 C ATOM 721 CE LYS B 169 -4.901 28.973 -8.266 1.00 0.00 C ATOM 722 NZ LYS B 169 -6.374 28.764 -8.337 1.00 0.00 N ATOM 0 H LYS B 169 -4.420 30.247 -2.585 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.555 29.078 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -4.458 31.459 -5.215 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -2.764 31.866 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -3.489 31.011 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -2.504 29.751 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -4.407 28.427 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -5.509 29.785 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.583 29.773 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -4.360 28.075 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.643 28.515 -9.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.647 27.993 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -6.863 29.638 -8.056 1.00 0.00 H new ATOM 736 N GLU B 170 -1.054 29.724 -3.021 1.00 0.00 N ATOM 737 CA GLU B 170 0.414 29.513 -2.879 1.00 0.00 C ATOM 738 C GLU B 170 0.704 28.735 -1.597 1.00 0.00 C ATOM 739 O GLU B 170 1.451 27.774 -1.602 1.00 0.00 O ATOM 740 CB GLU B 170 1.016 30.919 -2.805 1.00 0.00 C ATOM 741 CG GLU B 170 1.622 31.293 -4.161 1.00 0.00 C ATOM 742 CD GLU B 170 1.622 32.814 -4.320 1.00 0.00 C ATOM 743 OE1 GLU B 170 0.550 33.371 -4.494 1.00 0.00 O ATOM 744 OE2 GLU B 170 2.691 33.397 -4.265 1.00 0.00 O ATOM 0 H GLU B 170 -1.571 29.760 -2.143 1.00 0.00 H new ATOM 0 HA GLU B 170 0.834 28.939 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU B 170 0.247 31.640 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU B 170 1.782 30.957 -2.031 1.00 0.00 H new ATOM 0 HG2 GLU B 170 2.640 30.909 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU B 170 1.049 30.833 -4.966 1.00 0.00 H new ATOM 751 N GLU B 171 0.109 29.138 -0.504 1.00 0.00 N ATOM 752 CA GLU B 171 0.338 28.414 0.778 1.00 0.00 C ATOM 753 C GLU B 171 -0.423 27.091 0.747 1.00 0.00 C ATOM 754 O GLU B 171 0.023 26.093 1.282 1.00 0.00 O ATOM 755 CB GLU B 171 -0.203 29.336 1.875 1.00 0.00 C ATOM 756 CG GLU B 171 0.963 29.997 2.614 1.00 0.00 C ATOM 757 CD GLU B 171 1.375 31.275 1.879 1.00 0.00 C ATOM 758 OE1 GLU B 171 1.813 31.167 0.746 1.00 0.00 O ATOM 759 OE2 GLU B 171 1.248 32.338 2.463 1.00 0.00 O ATOM 0 H GLU B 171 -0.524 29.936 -0.446 1.00 0.00 H new ATOM 0 HA GLU B 171 1.389 28.183 0.950 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.848 30.098 1.438 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -0.813 28.765 2.575 1.00 0.00 H new ATOM 0 HG2 GLU B 171 0.672 30.231 3.638 1.00 0.00 H new ATOM 0 HG3 GLU B 171 1.807 29.310 2.672 1.00 0.00 H new ATOM 766 N LEU B 172 -1.558 27.076 0.099 1.00 0.00 N ATOM 767 CA LEU B 172 -2.351 25.817 -0.005 1.00 0.00 C ATOM 768 C LEU B 172 -1.693 24.886 -1.027 1.00 0.00 C ATOM 769 O LEU B 172 -1.821 23.679 -0.954 1.00 0.00 O ATOM 770 CB LEU B 172 -3.738 26.249 -0.485 1.00 0.00 C ATOM 771 CG LEU B 172 -4.798 25.327 0.119 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.192 25.875 -0.191 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.656 23.926 -0.483 1.00 0.00 C ATOM 0 H LEU B 172 -1.971 27.885 -0.364 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.408 25.279 0.941 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.930 27.281 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.786 26.211 -1.573 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.661 25.276 1.199 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.946 25.217 0.240 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -6.294 26.873 0.236 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.331 25.927 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.411 23.267 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.792 23.979 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.664 23.534 -0.261 1.00 0.00 H new ATOM 785 N ILE B 173 -0.979 25.445 -1.976 1.00 0.00 N ATOM 786 CA ILE B 173 -0.298 24.602 -3.004 1.00 0.00 C ATOM 787 C ILE B 173 0.848 23.825 -2.351 1.00 0.00 C ATOM 788 O ILE B 173 1.179 22.729 -2.763 1.00 0.00 O ATOM 789 CB ILE B 173 0.247 25.589 -4.048 1.00 0.00 C ATOM 790 CG1 ILE B 173 -0.901 26.429 -4.636 1.00 0.00 C ATOM 791 CG2 ILE B 173 0.944 24.815 -5.173 1.00 0.00 C ATOM 792 CD1 ILE B 173 -1.938 25.523 -5.310 1.00 0.00 C ATOM 0 H ILE B 173 -0.840 26.450 -2.081 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.972 23.875 -3.457 1.00 0.00 H new ATOM 0 HB ILE B 173 0.962 26.255 -3.565 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.376 27.010 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.505 27.140 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.330 25.517 -5.913 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.768 24.235 -4.759 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.230 24.143 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.743 26.133 -5.720 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.463 24.961 -6.114 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.347 24.829 -4.576 1.00 0.00 H new ATOM 804 N GLN B 174 1.449 24.388 -1.333 1.00 0.00 N ATOM 805 CA GLN B 174 2.575 23.687 -0.641 1.00 0.00 C ATOM 806 C GLN B 174 2.037 22.525 0.197 1.00 0.00 C ATOM 807 O GLN B 174 2.716 21.540 0.414 1.00 0.00 O ATOM 808 CB GLN B 174 3.217 24.747 0.258 1.00 0.00 C ATOM 809 CG GLN B 174 4.735 24.559 0.267 1.00 0.00 C ATOM 810 CD GLN B 174 5.135 23.677 1.451 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.350 22.877 1.920 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.332 23.788 1.957 1.00 0.00 N ATOM 0 H GLN B 174 1.209 25.303 -0.951 1.00 0.00 H new ATOM 0 HA GLN B 174 3.293 23.266 -1.345 1.00 0.00 H new ATOM 0 HB2 GLN B 174 2.966 25.745 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.824 24.666 1.271 1.00 0.00 H new ATOM 0 HG2 GLN B 174 5.061 24.101 -0.667 1.00 0.00 H new ATOM 0 HG3 GLN B 174 5.231 25.527 0.337 1.00 0.00 H new ATOM 0 HE21 GLN B 174 6.992 24.459 1.564 1.00 0.00 H new ATOM 0 HE22 GLN B 174 6.608 23.203 2.746 1.00 0.00 H new ATOM 821 N ASN B 175 0.819 22.635 0.664 1.00 0.00 N ATOM 822 CA ASN B 175 0.224 21.538 1.487 1.00 0.00 C ATOM 823 C ASN B 175 -0.163 20.360 0.591 1.00 0.00 C ATOM 824 O ASN B 175 -0.158 19.220 1.015 1.00 0.00 O ATOM 825 CB ASN B 175 -1.018 22.151 2.137 1.00 0.00 C ATOM 826 CG ASN B 175 -0.600 23.297 3.059 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.462 23.260 3.650 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.394 24.321 3.210 1.00 0.00 N ATOM 0 H ASN B 175 0.210 23.439 0.511 1.00 0.00 H new ATOM 0 HA ASN B 175 0.922 21.156 2.232 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.699 22.518 1.369 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.556 21.392 2.704 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.124 25.090 3.823 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.285 24.353 2.715 1.00 0.00 H new ATOM 835 N MET B 176 -0.495 20.630 -0.647 1.00 0.00 N ATOM 836 CA MET B 176 -0.880 19.529 -1.581 1.00 0.00 C ATOM 837 C MET B 176 0.362 18.734 -1.990 1.00 0.00 C ATOM 838 O MET B 176 0.290 17.550 -2.262 1.00 0.00 O ATOM 839 CB MET B 176 -1.500 20.226 -2.800 1.00 0.00 C ATOM 840 CG MET B 176 -3.014 19.998 -2.814 1.00 0.00 C ATOM 841 SD MET B 176 -3.611 20.001 -4.523 1.00 0.00 S ATOM 842 CE MET B 176 -5.122 20.955 -4.235 1.00 0.00 C ATOM 0 H MET B 176 -0.516 21.566 -1.051 1.00 0.00 H new ATOM 0 HA MET B 176 -1.577 18.826 -1.124 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.284 21.294 -2.768 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.056 19.838 -3.717 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.254 19.048 -2.336 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.515 20.779 -2.241 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.399 21.482 -5.148 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.928 20.281 -3.946 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.950 21.677 -3.437 1.00 0.00 H new ATOM 852 N ASP B 177 1.500 19.379 -2.030 1.00 0.00 N ATOM 853 CA ASP B 177 2.757 18.668 -2.416 1.00 0.00 C ATOM 854 C ASP B 177 3.262 17.828 -1.243 1.00 0.00 C ATOM 855 O ASP B 177 3.884 16.798 -1.429 1.00 0.00 O ATOM 856 CB ASP B 177 3.756 19.775 -2.755 1.00 0.00 C ATOM 857 CG ASP B 177 3.685 20.087 -4.251 1.00 0.00 C ATOM 858 OD1 ASP B 177 4.225 19.313 -5.024 1.00 0.00 O ATOM 859 OD2 ASP B 177 3.091 21.095 -4.598 1.00 0.00 O ATOM 0 H ASP B 177 1.613 20.369 -1.812 1.00 0.00 H new ATOM 0 HA ASP B 177 2.608 17.989 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.533 20.671 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.765 19.464 -2.485 1.00 0.00 H new ATOM 864 N ARG B 178 2.993 18.259 -0.038 1.00 0.00 N ATOM 865 CA ARG B 178 3.449 17.488 1.157 1.00 0.00 C ATOM 866 C ARG B 178 2.519 16.296 1.390 1.00 0.00 C ATOM 867 O ARG B 178 2.933 15.258 1.870 1.00 0.00 O ATOM 868 CB ARG B 178 3.369 18.475 2.330 1.00 0.00 C ATOM 869 CG ARG B 178 4.783 18.875 2.773 1.00 0.00 C ATOM 870 CD ARG B 178 5.174 18.086 4.026 1.00 0.00 C ATOM 871 NE ARG B 178 5.689 16.785 3.514 1.00 0.00 N ATOM 872 CZ ARG B 178 6.512 16.078 4.241 1.00 0.00 C ATOM 873 NH1 ARG B 178 6.107 15.560 5.368 1.00 0.00 N ATOM 874 NH2 ARG B 178 7.740 15.891 3.840 1.00 0.00 N ATOM 0 H ARG B 178 2.476 19.113 0.170 1.00 0.00 H new ATOM 0 HA ARG B 178 4.457 17.091 1.036 1.00 0.00 H new ATOM 0 HB2 ARG B 178 2.807 19.361 2.034 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.832 18.021 3.163 1.00 0.00 H new ATOM 0 HG2 ARG B 178 5.495 18.679 1.971 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.821 19.945 2.978 1.00 0.00 H new ATOM 0 HD2 ARG B 178 5.934 18.612 4.603 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.318 17.940 4.685 1.00 0.00 H new ATOM 0 HE ARG B 178 5.399 16.447 2.596 1.00 0.00 H new ATOM 0 HH11 ARG B 178 5.148 15.707 5.681 1.00 0.00 H new ATOM 0 HH12 ARG B 178 6.750 15.008 5.936 1.00 0.00 H new ATOM 0 HH21 ARG B 178 8.056 16.297 2.959 1.00 0.00 H new ATOM 0 HH22 ARG B 178 8.383 15.339 4.407 1.00 0.00 H new ATOM 888 N VAL B 179 1.266 16.439 1.041 1.00 0.00 N ATOM 889 CA VAL B 179 0.298 15.318 1.228 1.00 0.00 C ATOM 890 C VAL B 179 0.491 14.285 0.116 1.00 0.00 C ATOM 891 O VAL B 179 0.282 13.103 0.313 1.00 0.00 O ATOM 892 CB VAL B 179 -1.091 15.962 1.139 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.171 14.890 1.309 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.245 17.008 2.247 1.00 0.00 C ATOM 0 H VAL B 179 0.871 17.287 0.633 1.00 0.00 H new ATOM 0 HA VAL B 179 0.435 14.801 2.178 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.200 16.439 0.165 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.156 15.352 1.245 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -2.069 14.143 0.522 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -2.058 14.410 2.281 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.233 17.464 2.182 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.130 16.528 3.219 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.482 17.777 2.130 1.00 0.00 H new ATOM 904 N ASP B 180 0.895 14.726 -1.047 1.00 0.00 N ATOM 905 CA ASP B 180 1.116 13.777 -2.179 1.00 0.00 C ATOM 906 C ASP B 180 2.431 13.021 -1.973 1.00 0.00 C ATOM 907 O ASP B 180 2.583 11.895 -2.408 1.00 0.00 O ATOM 908 CB ASP B 180 1.187 14.652 -3.431 1.00 0.00 C ATOM 909 CG ASP B 180 1.197 13.762 -4.675 1.00 0.00 C ATOM 910 OD1 ASP B 180 1.958 12.809 -4.692 1.00 0.00 O ATOM 911 OD2 ASP B 180 0.443 14.050 -5.591 1.00 0.00 O ATOM 0 H ASP B 180 1.082 15.705 -1.262 1.00 0.00 H new ATOM 0 HA ASP B 180 0.325 13.031 -2.256 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.334 15.330 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.085 15.270 -3.406 1.00 0.00 H new ATOM 916 N ARG B 181 3.376 13.633 -1.307 1.00 0.00 N ATOM 917 CA ARG B 181 4.685 12.955 -1.061 1.00 0.00 C ATOM 918 C ARG B 181 4.516 11.881 0.019 1.00 0.00 C ATOM 919 O ARG B 181 5.219 10.888 0.033 1.00 0.00 O ATOM 920 CB ARG B 181 5.636 14.063 -0.582 1.00 0.00 C ATOM 921 CG ARG B 181 6.850 14.142 -1.512 1.00 0.00 C ATOM 922 CD ARG B 181 6.585 15.173 -2.612 1.00 0.00 C ATOM 923 NE ARG B 181 7.913 15.782 -2.895 1.00 0.00 N ATOM 924 CZ ARG B 181 8.414 15.724 -4.099 1.00 0.00 C ATOM 925 NH1 ARG B 181 8.566 14.569 -4.687 1.00 0.00 N ATOM 926 NH2 ARG B 181 8.763 16.821 -4.715 1.00 0.00 N ATOM 0 H ARG B 181 3.298 14.574 -0.922 1.00 0.00 H new ATOM 0 HA ARG B 181 5.069 12.459 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.115 15.020 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.961 13.860 0.439 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.738 14.420 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.047 13.165 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.169 14.702 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG B 181 5.867 15.925 -2.284 1.00 0.00 H new ATOM 0 HE ARG B 181 8.432 16.245 -2.148 1.00 0.00 H new ATOM 0 HH11 ARG B 181 8.293 13.712 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG B 181 8.957 14.523 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG B 181 8.644 17.724 -4.255 1.00 0.00 H new ATOM 0 HH22 ARG B 181 9.154 16.775 -5.656 1.00 0.00 H new ATOM 940 N GLU B 182 3.586 12.076 0.921 1.00 0.00 N ATOM 941 CA GLU B 182 3.363 11.067 2.002 1.00 0.00 C ATOM 942 C GLU B 182 2.717 9.810 1.420 1.00 0.00 C ATOM 943 O GLU B 182 2.945 8.711 1.891 1.00 0.00 O ATOM 944 CB GLU B 182 2.419 11.744 2.998 1.00 0.00 C ATOM 945 CG GLU B 182 2.795 11.330 4.421 1.00 0.00 C ATOM 946 CD GLU B 182 1.563 11.424 5.324 1.00 0.00 C ATOM 947 OE1 GLU B 182 1.229 12.527 5.723 1.00 0.00 O ATOM 948 OE2 GLU B 182 0.975 10.391 5.599 1.00 0.00 O ATOM 0 H GLU B 182 2.972 12.890 0.955 1.00 0.00 H new ATOM 0 HA GLU B 182 4.295 10.759 2.476 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.481 12.827 2.895 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.388 11.462 2.787 1.00 0.00 H new ATOM 0 HG2 GLU B 182 3.184 10.312 4.424 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.587 11.975 4.801 1.00 0.00 H new ATOM 955 N ILE B 183 1.919 9.965 0.395 1.00 0.00 N ATOM 956 CA ILE B 183 1.257 8.779 -0.229 1.00 0.00 C ATOM 957 C ILE B 183 2.290 7.964 -1.013 1.00 0.00 C ATOM 958 O ILE B 183 2.175 6.761 -1.142 1.00 0.00 O ATOM 959 CB ILE B 183 0.187 9.355 -1.166 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.803 10.191 -0.351 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.568 8.213 -1.856 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.780 10.895 -1.292 1.00 0.00 C ATOM 0 H ILE B 183 1.697 10.862 -0.037 1.00 0.00 H new ATOM 0 HA ILE B 183 0.816 8.111 0.511 1.00 0.00 H new ATOM 0 HB ILE B 183 0.667 9.979 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.348 9.552 0.343 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.266 10.927 0.248 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.327 8.627 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.132 7.612 -2.436 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.047 7.587 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.483 11.489 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.228 11.547 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.327 10.151 -1.871 1.00 0.00 H new ATOM 974 N THR B 184 3.302 8.616 -1.528 1.00 0.00 N ATOM 975 CA THR B 184 4.355 7.886 -2.300 1.00 0.00 C ATOM 976 C THR B 184 5.176 7.006 -1.355 1.00 0.00 C ATOM 977 O THR B 184 5.630 5.940 -1.726 1.00 0.00 O ATOM 978 CB THR B 184 5.234 8.976 -2.918 1.00 0.00 C ATOM 979 OG1 THR B 184 4.458 10.149 -3.121 1.00 0.00 O ATOM 980 CG2 THR B 184 5.787 8.488 -4.258 1.00 0.00 C ATOM 0 H THR B 184 3.445 9.623 -1.447 1.00 0.00 H new ATOM 0 HA THR B 184 3.930 7.233 -3.062 1.00 0.00 H new ATOM 0 HB THR B 184 6.063 9.201 -2.246 1.00 0.00 H new ATOM 0 HG1 THR B 184 5.020 10.849 -3.515 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.413 9.264 -4.698 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.382 7.588 -4.100 1.00 0.00 H new ATOM 0 HG23 THR B 184 4.961 8.263 -4.932 1.00 0.00 H new ATOM 988 N MET B 185 5.363 7.444 -0.135 1.00 0.00 N ATOM 989 CA MET B 185 6.148 6.632 0.842 1.00 0.00 C ATOM 990 C MET B 185 5.339 5.404 1.262 1.00 0.00 C ATOM 991 O MET B 185 5.847 4.298 1.294 1.00 0.00 O ATOM 992 CB MET B 185 6.385 7.555 2.040 1.00 0.00 C ATOM 993 CG MET B 185 7.665 8.361 1.817 1.00 0.00 C ATOM 994 SD MET B 185 7.748 9.708 3.024 1.00 0.00 S ATOM 995 CE MET B 185 8.193 8.700 4.459 1.00 0.00 C ATOM 0 H MET B 185 5.006 8.329 0.226 1.00 0.00 H new ATOM 0 HA MET B 185 7.087 6.273 0.421 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.537 8.227 2.168 1.00 0.00 H new ATOM 0 HB3 MET B 185 6.467 6.968 2.955 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.537 7.714 1.917 1.00 0.00 H new ATOM 0 HG3 MET B 185 7.682 8.764 0.804 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.066 9.130 4.949 1.00 0.00 H new ATOM 0 HE2 MET B 185 7.358 8.676 5.160 1.00 0.00 H new ATOM 0 HE3 MET B 185 8.423 7.685 4.134 1.00 0.00 H new ATOM 1005 N VAL B 186 4.082 5.591 1.571 1.00 0.00 N ATOM 1006 CA VAL B 186 3.227 4.434 1.977 1.00 0.00 C ATOM 1007 C VAL B 186 2.941 3.561 0.755 1.00 0.00 C ATOM 1008 O VAL B 186 2.799 2.358 0.861 1.00 0.00 O ATOM 1009 CB VAL B 186 1.934 5.053 2.520 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.985 3.943 2.977 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.260 5.958 3.711 1.00 0.00 C ATOM 0 H VAL B 186 3.610 6.495 1.560 1.00 0.00 H new ATOM 0 HA VAL B 186 3.705 3.801 2.725 1.00 0.00 H new ATOM 0 HB VAL B 186 1.459 5.639 1.733 1.00 0.00 H new ATOM 0 HG11 VAL B 186 0.067 4.385 3.363 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.749 3.295 2.133 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.462 3.356 3.762 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.340 6.398 4.096 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.737 5.370 4.495 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.935 6.752 3.391 1.00 0.00 H new ATOM 1021 N GLU B 187 2.867 4.163 -0.404 1.00 0.00 N ATOM 1022 CA GLU B 187 2.602 3.377 -1.646 1.00 0.00 C ATOM 1023 C GLU B 187 3.860 2.604 -2.048 1.00 0.00 C ATOM 1024 O GLU B 187 3.785 1.550 -2.652 1.00 0.00 O ATOM 1025 CB GLU B 187 2.245 4.413 -2.714 1.00 0.00 C ATOM 1026 CG GLU B 187 1.820 3.698 -3.998 1.00 0.00 C ATOM 1027 CD GLU B 187 3.058 3.370 -4.834 1.00 0.00 C ATOM 1028 OE1 GLU B 187 3.910 4.233 -4.960 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.131 2.260 -5.337 1.00 0.00 O ATOM 0 H GLU B 187 2.979 5.167 -0.544 1.00 0.00 H new ATOM 0 HA GLU B 187 1.802 2.648 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.438 5.054 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.102 5.058 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU B 187 1.279 2.783 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.139 4.329 -4.570 1.00 0.00 H new ATOM 1036 N GLN B 188 5.016 3.121 -1.712 1.00 0.00 N ATOM 1037 CA GLN B 188 6.286 2.420 -2.066 1.00 0.00 C ATOM 1038 C GLN B 188 6.464 1.181 -1.186 1.00 0.00 C ATOM 1039 O GLN B 188 7.060 0.202 -1.594 1.00 0.00 O ATOM 1040 CB GLN B 188 7.398 3.436 -1.794 1.00 0.00 C ATOM 1041 CG GLN B 188 8.741 2.876 -2.274 1.00 0.00 C ATOM 1042 CD GLN B 188 8.705 2.668 -3.792 1.00 0.00 C ATOM 1043 OE1 GLN B 188 9.121 1.637 -4.284 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.225 3.608 -4.560 1.00 0.00 N ATOM 0 H GLN B 188 5.134 3.999 -1.207 1.00 0.00 H new ATOM 0 HA GLN B 188 6.294 2.081 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.180 4.373 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.447 3.659 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.546 3.562 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.951 1.931 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.876 4.474 -4.149 1.00 0.00 H new ATOM 0 HE22 GLN B 188 8.199 3.477 -5.571 1.00 0.00 H new ATOM 1053 N GLN B 189 5.946 1.219 0.014 1.00 0.00 N ATOM 1054 CA GLN B 189 6.076 0.043 0.927 1.00 0.00 C ATOM 1055 C GLN B 189 5.148 -1.082 0.464 1.00 0.00 C ATOM 1056 O GLN B 189 5.484 -2.249 0.549 1.00 0.00 O ATOM 1057 CB GLN B 189 5.655 0.555 2.308 1.00 0.00 C ATOM 1058 CG GLN B 189 6.590 -0.017 3.378 1.00 0.00 C ATOM 1059 CD GLN B 189 7.677 1.007 3.715 1.00 0.00 C ATOM 1060 OE1 GLN B 189 8.036 1.173 4.863 1.00 0.00 O ATOM 1061 NE2 GLN B 189 8.219 1.706 2.754 1.00 0.00 N ATOM 0 H GLN B 189 5.438 2.014 0.402 1.00 0.00 H new ATOM 0 HA GLN B 189 7.088 -0.360 0.940 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.687 1.644 2.328 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.626 0.263 2.517 1.00 0.00 H new ATOM 0 HG2 GLN B 189 6.022 -0.267 4.274 1.00 0.00 H new ATOM 0 HG3 GLN B 189 7.045 -0.941 3.021 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.918 1.567 1.790 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.944 2.391 2.968 1.00 0.00 H new ATOM 1070 N ILE B 190 3.986 -0.736 -0.031 1.00 0.00 N ATOM 1071 CA ILE B 190 3.032 -1.782 -0.509 1.00 0.00 C ATOM 1072 C ILE B 190 3.559 -2.403 -1.804 1.00 0.00 C ATOM 1073 O ILE B 190 3.335 -3.567 -2.081 1.00 0.00 O ATOM 1074 CB ILE B 190 1.707 -1.049 -0.755 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.243 -0.386 0.547 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.644 -2.048 -1.224 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.016 0.446 0.286 1.00 0.00 C ATOM 0 H ILE B 190 3.657 0.225 -0.125 1.00 0.00 H new ATOM 0 HA ILE B 190 2.907 -2.591 0.211 1.00 0.00 H new ATOM 0 HB ILE B 190 1.852 -0.289 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE B 190 1.037 -1.147 1.300 1.00 0.00 H new ATOM 0 HG13 ILE B 190 2.034 0.250 0.944 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.296 -1.524 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.972 -2.521 -2.149 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.498 -2.810 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.341 0.915 1.215 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.204 1.217 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.808 -0.201 -0.091 1.00 0.00 H new ATOM 1089 N SER B 191 4.268 -1.633 -2.590 1.00 0.00 N ATOM 1090 CA SER B 191 4.827 -2.172 -3.866 1.00 0.00 C ATOM 1091 C SER B 191 5.905 -3.209 -3.554 1.00 0.00 C ATOM 1092 O SER B 191 6.021 -4.217 -4.225 1.00 0.00 O ATOM 1093 CB SER B 191 5.431 -0.967 -4.588 1.00 0.00 C ATOM 1094 OG SER B 191 4.418 -0.317 -5.344 1.00 0.00 O ATOM 0 H SER B 191 4.484 -0.654 -2.403 1.00 0.00 H new ATOM 0 HA SER B 191 4.070 -2.662 -4.477 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.863 -0.274 -3.866 1.00 0.00 H new ATOM 0 HB3 SER B 191 6.240 -1.289 -5.244 1.00 0.00 H new ATOM 0 HG SER B 191 4.290 0.593 -5.005 1.00 0.00 H new ATOM 1100 N LYS B 192 6.685 -2.973 -2.529 1.00 0.00 N ATOM 1101 CA LYS B 192 7.750 -3.949 -2.158 1.00 0.00 C ATOM 1102 C LYS B 192 7.113 -5.163 -1.482 1.00 0.00 C ATOM 1103 O LYS B 192 7.581 -6.278 -1.617 1.00 0.00 O ATOM 1104 CB LYS B 192 8.663 -3.202 -1.183 1.00 0.00 C ATOM 1105 CG LYS B 192 9.388 -2.074 -1.923 1.00 0.00 C ATOM 1106 CD LYS B 192 10.788 -1.891 -1.333 1.00 0.00 C ATOM 1107 CE LYS B 192 11.742 -1.402 -2.426 1.00 0.00 C ATOM 1108 NZ LYS B 192 13.103 -1.542 -1.837 1.00 0.00 N ATOM 0 H LYS B 192 6.629 -2.146 -1.934 1.00 0.00 H new ATOM 0 HA LYS B 192 8.306 -4.312 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS B 192 8.077 -2.793 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.388 -3.890 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS B 192 9.458 -2.308 -2.985 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.822 -1.146 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.758 -1.173 -0.514 1.00 0.00 H new ATOM 0 HD3 LYS B 192 11.146 -2.833 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.641 -1.997 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.534 -0.367 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 13.814 -1.226 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 13.171 -0.959 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 13.275 -2.538 -1.594 1.00 0.00 H new ATOM 1122 N LEU B 193 6.036 -4.952 -0.767 1.00 0.00 N ATOM 1123 CA LEU B 193 5.346 -6.089 -0.089 1.00 0.00 C ATOM 1124 C LEU B 193 4.651 -6.958 -1.140 1.00 0.00 C ATOM 1125 O LEU B 193 4.534 -8.160 -0.987 1.00 0.00 O ATOM 1126 CB LEU B 193 4.319 -5.442 0.849 1.00 0.00 C ATOM 1127 CG LEU B 193 4.430 -6.064 2.247 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.216 -4.981 3.307 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.365 -7.152 2.410 1.00 0.00 C ATOM 0 H LEU B 193 5.605 -4.039 -0.624 1.00 0.00 H new ATOM 0 HA LEU B 193 6.034 -6.730 0.462 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.490 -4.367 0.904 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.312 -5.585 0.456 1.00 0.00 H new ATOM 0 HG LEU B 193 5.420 -6.503 2.369 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.295 -5.423 4.300 1.00 0.00 H new ATOM 0 HD12 LEU B 193 4.974 -4.206 3.194 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.226 -4.541 3.183 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.445 -7.593 3.403 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.375 -6.713 2.286 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.516 -7.925 1.657 1.00 0.00 H new ATOM 1141 N LYS B 194 4.203 -6.355 -2.214 1.00 0.00 N ATOM 1142 CA LYS B 194 3.525 -7.139 -3.291 1.00 0.00 C ATOM 1143 C LYS B 194 4.547 -8.037 -3.985 1.00 0.00 C ATOM 1144 O LYS B 194 4.308 -9.212 -4.196 1.00 0.00 O ATOM 1145 CB LYS B 194 2.970 -6.098 -4.265 1.00 0.00 C ATOM 1146 CG LYS B 194 1.911 -6.747 -5.158 1.00 0.00 C ATOM 1147 CD LYS B 194 0.586 -6.835 -4.398 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.493 -7.411 -5.318 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.116 -6.226 -5.969 1.00 0.00 N ATOM 0 H LYS B 194 4.278 -5.353 -2.391 1.00 0.00 H new ATOM 0 HA LYS B 194 2.734 -7.782 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.535 -5.265 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.775 -5.690 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.781 -6.163 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.236 -7.743 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.701 -7.465 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.290 -5.847 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.062 -8.087 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -1.229 -7.984 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.867 -6.540 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.524 -5.604 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -0.393 -5.704 -6.505 1.00 0.00 H new ATOM 1163 N LYS B 195 5.691 -7.497 -4.324 1.00 0.00 N ATOM 1164 CA LYS B 195 6.740 -8.327 -4.988 1.00 0.00 C ATOM 1165 C LYS B 195 7.213 -9.410 -4.016 1.00 0.00 C ATOM 1166 O LYS B 195 7.602 -10.490 -4.416 1.00 0.00 O ATOM 1167 CB LYS B 195 7.878 -7.357 -5.329 1.00 0.00 C ATOM 1168 CG LYS B 195 8.297 -7.551 -6.790 1.00 0.00 C ATOM 1169 CD LYS B 195 9.548 -6.719 -7.083 1.00 0.00 C ATOM 1170 CE LYS B 195 10.793 -7.598 -6.942 1.00 0.00 C ATOM 1171 NZ LYS B 195 11.936 -6.645 -6.912 1.00 0.00 N ATOM 0 H LYS B 195 5.943 -6.521 -4.170 1.00 0.00 H new ATOM 0 HA LYS B 195 6.376 -8.829 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.554 -6.329 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.728 -7.532 -4.670 1.00 0.00 H new ATOM 0 HG2 LYS B 195 8.496 -8.605 -6.984 1.00 0.00 H new ATOM 0 HG3 LYS B 195 7.486 -7.252 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS B 195 9.494 -6.305 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS B 195 9.606 -5.876 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.753 -8.195 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS B 195 10.881 -8.294 -7.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 12.826 -7.174 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 11.953 -6.095 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 11.829 -5.999 -6.104 1.00 0.00 H new ATOM 1185 N LYS B 196 7.161 -9.129 -2.735 1.00 0.00 N ATOM 1186 CA LYS B 196 7.586 -10.143 -1.722 1.00 0.00 C ATOM 1187 C LYS B 196 6.673 -11.365 -1.820 1.00 0.00 C ATOM 1188 O LYS B 196 7.106 -12.492 -1.672 1.00 0.00 O ATOM 1189 CB LYS B 196 7.424 -9.451 -0.365 1.00 0.00 C ATOM 1190 CG LYS B 196 7.843 -10.401 0.760 1.00 0.00 C ATOM 1191 CD LYS B 196 7.116 -10.018 2.051 1.00 0.00 C ATOM 1192 CE LYS B 196 5.612 -10.253 1.883 1.00 0.00 C ATOM 1193 NZ LYS B 196 5.115 -10.557 3.254 1.00 0.00 N ATOM 0 H LYS B 196 6.842 -8.240 -2.349 1.00 0.00 H new ATOM 0 HA LYS B 196 8.610 -10.486 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.032 -8.547 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.388 -9.144 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.606 -11.430 0.488 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.922 -10.351 0.909 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.496 -10.610 2.884 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.306 -8.972 2.291 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.119 -9.373 1.470 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.415 -11.079 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 4.105 -10.317 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 5.244 -11.570 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.649 -9.997 3.949 1.00 0.00 H new ATOM 1207 N GLN B 197 5.412 -11.141 -2.086 1.00 0.00 N ATOM 1208 CA GLN B 197 4.455 -12.282 -2.218 1.00 0.00 C ATOM 1209 C GLN B 197 4.870 -13.154 -3.403 1.00 0.00 C ATOM 1210 O GLN B 197 4.670 -14.354 -3.406 1.00 0.00 O ATOM 1211 CB GLN B 197 3.088 -11.640 -2.473 1.00 0.00 C ATOM 1212 CG GLN B 197 2.017 -12.731 -2.593 1.00 0.00 C ATOM 1213 CD GLN B 197 1.236 -12.838 -1.279 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.036 -13.020 -1.288 1.00 0.00 O ATOM 1215 NE2 GLN B 197 1.872 -12.732 -0.144 1.00 0.00 N ATOM 0 H GLN B 197 5.002 -10.216 -2.218 1.00 0.00 H new ATOM 0 HA GLN B 197 4.435 -12.917 -1.332 1.00 0.00 H new ATOM 0 HB2 GLN B 197 2.838 -10.960 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN B 197 3.119 -11.046 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN B 197 1.337 -12.498 -3.413 1.00 0.00 H new ATOM 0 HG3 GLN B 197 2.484 -13.687 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN B 197 2.880 -12.579 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN B 197 1.361 -12.802 0.736 1.00 0.00 H new ATOM 1224 N GLN B 198 5.457 -12.552 -4.407 1.00 0.00 N ATOM 1225 CA GLN B 198 5.905 -13.332 -5.604 1.00 0.00 C ATOM 1226 C GLN B 198 6.902 -14.412 -5.181 1.00 0.00 C ATOM 1227 O GLN B 198 6.838 -15.540 -5.632 1.00 0.00 O ATOM 1228 CB GLN B 198 6.581 -12.312 -6.522 1.00 0.00 C ATOM 1229 CG GLN B 198 6.820 -12.939 -7.896 1.00 0.00 C ATOM 1230 CD GLN B 198 6.821 -11.841 -8.961 1.00 0.00 C ATOM 1231 OE1 GLN B 198 7.742 -11.740 -9.747 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.820 -11.008 -9.019 1.00 0.00 N ATOM 0 H GLN B 198 5.646 -11.551 -4.450 1.00 0.00 H new ATOM 0 HA GLN B 198 5.075 -13.835 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN B 198 5.956 -11.425 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.528 -11.989 -6.089 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.771 -13.471 -7.905 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.043 -13.672 -8.114 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.047 -11.093 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN B 198 5.810 -10.271 -9.724 1.00 0.00 H new ATOM 1241 N GLN B 199 7.816 -14.070 -4.312 1.00 0.00 N ATOM 1242 CA GLN B 199 8.820 -15.072 -3.841 1.00 0.00 C ATOM 1243 C GLN B 199 8.105 -16.211 -3.112 1.00 0.00 C ATOM 1244 O GLN B 199 8.448 -17.369 -3.260 1.00 0.00 O ATOM 1245 CB GLN B 199 9.737 -14.310 -2.881 1.00 0.00 C ATOM 1246 CG GLN B 199 11.176 -14.802 -3.050 1.00 0.00 C ATOM 1247 CD GLN B 199 12.147 -13.689 -2.653 1.00 0.00 C ATOM 1248 OE1 GLN B 199 13.033 -13.898 -1.849 1.00 0.00 O ATOM 1249 NE2 GLN B 199 12.018 -12.505 -3.187 1.00 0.00 N ATOM 0 H GLN B 199 7.912 -13.139 -3.907 1.00 0.00 H new ATOM 0 HA GLN B 199 9.383 -15.514 -4.663 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.682 -13.240 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.409 -14.459 -1.852 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.345 -15.684 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN B 199 11.351 -15.099 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN B 199 11.274 -12.328 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN B 199 12.661 -11.756 -2.929 1.00 0.00 H new ATOM 1258 N LEU B 200 7.102 -15.885 -2.337 1.00 0.00 N ATOM 1259 CA LEU B 200 6.340 -16.940 -1.604 1.00 0.00 C ATOM 1260 C LEU B 200 5.436 -17.695 -2.581 1.00 0.00 C ATOM 1261 O LEU B 200 5.130 -18.857 -2.388 1.00 0.00 O ATOM 1262 CB LEU B 200 5.504 -16.185 -0.567 1.00 0.00 C ATOM 1263 CG LEU B 200 4.841 -17.185 0.382 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.868 -17.681 1.401 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.686 -16.499 1.117 1.00 0.00 C ATOM 0 H LEU B 200 6.777 -14.931 -2.180 1.00 0.00 H new ATOM 0 HA LEU B 200 6.993 -17.675 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU B 200 6.137 -15.499 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.745 -15.583 -1.066 1.00 0.00 H new ATOM 0 HG LEU B 200 4.460 -18.031 -0.190 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.395 -18.393 2.077 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.692 -18.168 0.880 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.250 -16.836 1.974 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.212 -17.210 1.794 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.069 -15.654 1.689 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.953 -16.144 0.392 1.00 0.00 H new ATOM 1277 N GLU B 201 5.010 -17.039 -3.634 1.00 0.00 N ATOM 1278 CA GLU B 201 4.130 -17.710 -4.636 1.00 0.00 C ATOM 1279 C GLU B 201 4.968 -18.610 -5.545 1.00 0.00 C ATOM 1280 O GLU B 201 4.500 -19.624 -6.029 1.00 0.00 O ATOM 1281 CB GLU B 201 3.497 -16.571 -5.441 1.00 0.00 C ATOM 1282 CG GLU B 201 2.175 -16.161 -4.791 1.00 0.00 C ATOM 1283 CD GLU B 201 1.024 -16.926 -5.446 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.012 -17.009 -6.663 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.175 -17.416 -4.720 1.00 0.00 O ATOM 0 H GLU B 201 5.236 -16.066 -3.841 1.00 0.00 H new ATOM 0 HA GLU B 201 3.374 -18.341 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU B 201 4.175 -15.718 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU B 201 3.326 -16.890 -6.469 1.00 0.00 H new ATOM 0 HG2 GLU B 201 2.203 -16.371 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.021 -15.088 -4.901 1.00 0.00 H new