USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 702 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 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 17 GLN : amide:sc= -0.246 X(o=-0.031,f=-0.021) USER MOD Set 1.3: B 210 THR OG1 : rot 30:sc= 0.215 USER MOD Single : A 10 THR OG1 : rot 20:sc= 0.268 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 44:sc= 0.115 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -136:sc= 0.723 (180deg=-3.74!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 37:sc= 0.477 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -18:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= -0.0286 (180deg=-0.194) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -0.0194 (180deg=-0.138) USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 140:sc= 0 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -172:sc= -0.117 (180deg=-0.468) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 46:sc= 0.266 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -22:sc= 1.28 USER MOD Single : B 242 LYS NZ :NH3+ 163:sc= -0.0584 (180deg=-0.354) USER MOD Single : B 246 LYS NZ :NH3+ -120:sc= -0.0217 (180deg=-0.0591) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.560 -10.704 -5.968 1.00 33.31 N ATOM 138 CA THR A 10 -8.213 -11.162 -5.904 1.00 52.23 C ATOM 139 C THR A 10 -7.253 -10.058 -6.324 1.00 23.01 C ATOM 140 O THR A 10 -7.009 -9.835 -7.510 1.00 13.25 O ATOM 141 CB THR A 10 -8.017 -12.421 -6.750 1.00 3.54 C ATOM 142 OG1 THR A 10 -9.074 -13.350 -6.436 1.00 11.42 O ATOM 143 CG2 THR A 10 -6.694 -13.071 -6.404 1.00 0.11 C ATOM 0 HA THR A 10 -7.992 -11.427 -4.870 1.00 52.23 H new ATOM 0 HB THR A 10 -8.030 -12.156 -7.807 1.00 3.54 H new ATOM 0 HG1 THR A 10 -9.821 -12.868 -6.023 1.00 11.42 H new ATOM 0 HG21 THR A 10 -6.560 -13.967 -7.010 1.00 0.11 H new ATOM 0 HG22 THR A 10 -5.882 -12.372 -6.605 1.00 0.11 H new ATOM 0 HG23 THR A 10 -6.687 -13.342 -5.348 1.00 0.11 H new ATOM 151 N CYS A 11 -6.756 -9.347 -5.352 1.00 65.30 N ATOM 152 CA CYS A 11 -5.866 -8.255 -5.599 1.00 63.04 C ATOM 153 C CYS A 11 -4.560 -8.529 -4.857 1.00 65.15 C ATOM 154 O CYS A 11 -4.576 -9.094 -3.754 1.00 31.10 O ATOM 155 CB CYS A 11 -6.479 -6.965 -5.043 1.00 40.55 C ATOM 156 SG CYS A 11 -8.268 -6.676 -5.424 1.00 32.42 S ATOM 0 H CYS A 11 -6.958 -9.511 -4.366 1.00 65.30 H new ATOM 0 HA CYS A 11 -5.691 -8.149 -6.670 1.00 63.04 H new ATOM 0 HB2 CYS A 11 -6.356 -6.967 -3.960 1.00 40.55 H new ATOM 0 HB3 CYS A 11 -5.907 -6.121 -5.427 1.00 40.55 H new ATOM 161 N VAL A 12 -3.441 -8.138 -5.427 1.00 44.23 N ATOM 162 CA VAL A 12 -2.157 -8.337 -4.778 1.00 74.21 C ATOM 163 C VAL A 12 -1.373 -7.036 -4.758 1.00 71.01 C ATOM 164 O VAL A 12 -1.543 -6.184 -5.636 1.00 45.13 O ATOM 165 CB VAL A 12 -1.298 -9.485 -5.427 1.00 43.54 C ATOM 166 CG1 VAL A 12 -1.997 -10.827 -5.316 1.00 35.35 C ATOM 167 CG2 VAL A 12 -0.942 -9.193 -6.886 1.00 50.31 C ATOM 0 H VAL A 12 -3.391 -7.681 -6.337 1.00 44.23 H new ATOM 0 HA VAL A 12 -2.371 -8.655 -3.758 1.00 74.21 H new ATOM 0 HB VAL A 12 -0.366 -9.528 -4.863 1.00 43.54 H new ATOM 0 HG11 VAL A 12 -1.378 -11.599 -5.774 1.00 35.35 H new ATOM 0 HG12 VAL A 12 -2.159 -11.067 -4.265 1.00 35.35 H new ATOM 0 HG13 VAL A 12 -2.957 -10.781 -5.829 1.00 35.35 H new ATOM 0 HG21 VAL A 12 -0.349 -10.015 -7.287 1.00 50.31 H new ATOM 0 HG22 VAL A 12 -1.857 -9.086 -7.469 1.00 50.31 H new ATOM 0 HG23 VAL A 12 -0.366 -8.269 -6.942 1.00 50.31 H new ATOM 177 N SER A 13 -0.552 -6.857 -3.764 1.00 3.41 N ATOM 178 CA SER A 13 0.226 -5.658 -3.683 1.00 41.40 C ATOM 179 C SER A 13 1.681 -5.947 -3.392 1.00 40.35 C ATOM 180 O SER A 13 2.009 -6.761 -2.521 1.00 22.20 O ATOM 181 CB SER A 13 -0.385 -4.667 -2.678 1.00 3.35 C ATOM 182 OG SER A 13 -0.564 -5.241 -1.388 1.00 11.14 O ATOM 0 H SER A 13 -0.405 -7.521 -3.004 1.00 3.41 H new ATOM 0 HA SER A 13 0.199 -5.181 -4.663 1.00 41.40 H new ATOM 0 HB2 SER A 13 0.260 -3.792 -2.597 1.00 3.35 H new ATOM 0 HB3 SER A 13 -1.347 -4.319 -3.054 1.00 3.35 H new ATOM 0 HG SER A 13 -0.953 -4.574 -0.784 1.00 11.14 H new ATOM 188 N LEU A 14 2.540 -5.318 -4.150 1.00 51.43 N ATOM 189 CA LEU A 14 3.954 -5.444 -3.989 1.00 14.25 C ATOM 190 C LEU A 14 4.541 -4.136 -3.558 1.00 43.22 C ATOM 191 O LEU A 14 4.391 -3.112 -4.240 1.00 45.02 O ATOM 192 CB LEU A 14 4.580 -5.919 -5.287 1.00 1.15 C ATOM 193 CG LEU A 14 4.355 -7.386 -5.612 1.00 42.23 C ATOM 194 CD1 LEU A 14 4.700 -7.669 -7.061 1.00 25.55 C ATOM 195 CD2 LEU A 14 5.237 -8.228 -4.686 1.00 35.34 C ATOM 0 H LEU A 14 2.266 -4.694 -4.909 1.00 51.43 H new ATOM 0 HA LEU A 14 4.165 -6.182 -3.215 1.00 14.25 H new ATOM 0 HB2 LEU A 14 4.184 -5.317 -6.105 1.00 1.15 H new ATOM 0 HB3 LEU A 14 5.653 -5.733 -5.244 1.00 1.15 H new ATOM 0 HG LEU A 14 3.305 -7.639 -5.461 1.00 42.23 H new ATOM 0 HD11 LEU A 14 4.533 -8.725 -7.275 1.00 25.55 H new ATOM 0 HD12 LEU A 14 4.069 -7.062 -7.710 1.00 25.55 H new ATOM 0 HD13 LEU A 14 5.747 -7.424 -7.240 1.00 25.55 H new ATOM 0 HD21 LEU A 14 5.089 -9.285 -4.905 1.00 35.34 H new ATOM 0 HD22 LEU A 14 6.284 -7.968 -4.845 1.00 35.34 H new ATOM 0 HD23 LEU A 14 4.967 -8.031 -3.648 1.00 35.34 H new ATOM 207 N THR A 15 5.176 -4.147 -2.434 1.00 33.20 N ATOM 208 CA THR A 15 5.792 -2.978 -1.922 1.00 31.14 C ATOM 209 C THR A 15 7.251 -2.933 -2.336 1.00 12.35 C ATOM 210 O THR A 15 8.049 -3.800 -1.965 1.00 33.30 O ATOM 211 CB THR A 15 5.631 -2.887 -0.389 1.00 53.11 C ATOM 212 OG1 THR A 15 6.053 -4.120 0.227 1.00 31.04 O ATOM 213 CG2 THR A 15 4.183 -2.601 -0.021 1.00 63.31 C ATOM 0 H THR A 15 5.280 -4.973 -1.845 1.00 33.20 H new ATOM 0 HA THR A 15 5.292 -2.107 -2.346 1.00 31.14 H new ATOM 0 HB THR A 15 6.255 -2.070 -0.025 1.00 53.11 H new ATOM 0 HG1 THR A 15 6.892 -4.419 -0.181 1.00 31.04 H new ATOM 0 HG21 THR A 15 4.088 -2.540 1.063 1.00 63.31 H new ATOM 0 HG22 THR A 15 3.875 -1.655 -0.466 1.00 63.31 H new ATOM 0 HG23 THR A 15 3.547 -3.403 -0.396 1.00 63.31 H new ATOM 221 N THR A 16 7.585 -1.952 -3.110 1.00 63.10 N ATOM 222 CA THR A 16 8.889 -1.808 -3.644 1.00 32.24 C ATOM 223 C THR A 16 9.189 -0.325 -3.776 1.00 54.33 C ATOM 224 O THR A 16 8.265 0.472 -3.948 1.00 54.54 O ATOM 225 CB THR A 16 9.000 -2.516 -5.031 1.00 14.24 C ATOM 226 OG1 THR A 16 10.344 -2.457 -5.513 1.00 5.34 O ATOM 227 CG2 THR A 16 8.062 -1.886 -6.067 1.00 33.44 C ATOM 0 H THR A 16 6.939 -1.214 -3.392 1.00 63.10 H new ATOM 0 HA THR A 16 9.614 -2.277 -2.979 1.00 32.24 H new ATOM 0 HB THR A 16 8.704 -3.555 -4.888 1.00 14.24 H new ATOM 0 HG1 THR A 16 10.400 -2.906 -6.382 1.00 5.34 H new ATOM 0 HG21 THR A 16 8.169 -2.407 -7.019 1.00 33.44 H new ATOM 0 HG22 THR A 16 7.031 -1.968 -5.722 1.00 33.44 H new ATOM 0 HG23 THR A 16 8.318 -0.835 -6.198 1.00 33.44 H new ATOM 235 N GLN A 17 10.462 0.033 -3.668 1.00 32.21 N ATOM 236 CA GLN A 17 10.927 1.419 -3.778 1.00 3.34 C ATOM 237 C GLN A 17 10.467 2.254 -2.576 1.00 2.11 C ATOM 238 O GLN A 17 9.819 1.744 -1.651 1.00 21.12 O ATOM 239 CB GLN A 17 10.465 2.086 -5.107 1.00 33.03 C ATOM 240 CG GLN A 17 10.850 1.326 -6.375 1.00 14.44 C ATOM 241 CD GLN A 17 12.333 1.090 -6.493 1.00 12.13 C ATOM 242 OE1 GLN A 17 13.065 1.906 -7.050 1.00 51.41 O ATOM 243 NE2 GLN A 17 12.786 -0.027 -5.989 1.00 64.21 N ATOM 0 H GLN A 17 11.214 -0.636 -3.499 1.00 32.21 H new ATOM 0 HA GLN A 17 12.016 1.387 -3.784 1.00 3.34 H new ATOM 0 HB2 GLN A 17 9.381 2.198 -5.083 1.00 33.03 H new ATOM 0 HB3 GLN A 17 10.888 3.089 -5.159 1.00 33.03 H new ATOM 0 HG2 GLN A 17 10.333 0.367 -6.388 1.00 14.44 H new ATOM 0 HG3 GLN A 17 10.506 1.885 -7.245 1.00 14.44 H new ATOM 0 HE21 GLN A 17 12.146 -0.678 -5.535 1.00 64.21 H new ATOM 0 HE22 GLN A 17 13.780 -0.248 -6.050 1.00 64.21 H new ATOM 252 N ARG A 18 10.832 3.508 -2.581 1.00 45.43 N ATOM 253 CA ARG A 18 10.456 4.439 -1.531 1.00 53.23 C ATOM 254 C ARG A 18 10.445 5.845 -2.087 1.00 53.11 C ATOM 255 O ARG A 18 10.518 6.826 -1.346 1.00 0.34 O ATOM 256 CB ARG A 18 11.448 4.359 -0.366 1.00 41.20 C ATOM 257 CG ARG A 18 12.896 4.589 -0.765 1.00 31.30 C ATOM 258 CD ARG A 18 13.788 4.655 0.449 1.00 35.04 C ATOM 259 NE ARG A 18 13.504 5.838 1.271 1.00 32.05 N ATOM 260 CZ ARG A 18 13.895 6.016 2.537 1.00 34.22 C ATOM 261 NH1 ARG A 18 14.547 5.053 3.186 1.00 1.01 N ATOM 262 NH2 ARG A 18 13.624 7.160 3.146 1.00 2.01 N ATOM 0 H ARG A 18 11.404 3.923 -3.317 1.00 45.43 H new ATOM 0 HA ARG A 18 9.463 4.177 -1.166 1.00 53.23 H new ATOM 0 HB2 ARG A 18 11.168 5.097 0.386 1.00 41.20 H new ATOM 0 HB3 ARG A 18 11.363 3.378 0.102 1.00 41.20 H new ATOM 0 HG2 ARG A 18 13.228 3.785 -1.421 1.00 31.30 H new ATOM 0 HG3 ARG A 18 12.978 5.517 -1.331 1.00 31.30 H new ATOM 0 HD2 ARG A 18 13.653 3.755 1.049 1.00 35.04 H new ATOM 0 HD3 ARG A 18 14.831 4.674 0.133 1.00 35.04 H new ATOM 0 HE ARG A 18 12.963 6.587 0.840 1.00 32.05 H new ATOM 0 HH11 ARG A 18 14.752 4.171 2.717 1.00 1.01 H new ATOM 0 HH12 ARG A 18 14.841 5.198 4.152 1.00 1.01 H new ATOM 0 HH21 ARG A 18 13.121 7.896 2.649 1.00 2.01 H new ATOM 0 HH22 ARG A 18 13.918 7.306 4.112 1.00 2.01 H new ATOM 276 N LEU A 19 10.317 5.946 -3.383 1.00 53.23 N ATOM 277 CA LEU A 19 10.370 7.227 -4.034 1.00 3.22 C ATOM 278 C LEU A 19 8.968 7.757 -4.256 1.00 24.42 C ATOM 279 O LEU A 19 8.067 6.998 -4.609 1.00 20.11 O ATOM 280 CB LEU A 19 11.172 7.187 -5.364 1.00 72.44 C ATOM 281 CG LEU A 19 12.685 6.847 -5.278 1.00 31.11 C ATOM 282 CD1 LEU A 19 12.939 5.396 -4.885 1.00 41.13 C ATOM 283 CD2 LEU A 19 13.389 7.183 -6.577 1.00 22.42 C ATOM 0 H LEU A 19 10.175 5.154 -4.010 1.00 53.23 H new ATOM 0 HA LEU A 19 10.906 7.908 -3.373 1.00 3.22 H new ATOM 0 HB2 LEU A 19 10.700 6.456 -6.020 1.00 72.44 H new ATOM 0 HB3 LEU A 19 11.072 8.159 -5.846 1.00 72.44 H new ATOM 0 HG LEU A 19 13.101 7.467 -4.484 1.00 31.11 H new ATOM 0 HD11 LEU A 19 14.013 5.214 -4.840 1.00 41.13 H new ATOM 0 HD12 LEU A 19 12.497 5.201 -3.908 1.00 41.13 H new ATOM 0 HD13 LEU A 19 12.489 4.734 -5.626 1.00 41.13 H new ATOM 0 HD21 LEU A 19 14.447 6.936 -6.492 1.00 22.42 H new ATOM 0 HD22 LEU A 19 12.946 6.608 -7.390 1.00 22.42 H new ATOM 0 HD23 LEU A 19 13.281 8.247 -6.785 1.00 22.42 H new ATOM 295 N PRO A 20 8.760 9.058 -4.031 1.00 62.22 N ATOM 296 CA PRO A 20 7.455 9.682 -4.183 1.00 24.25 C ATOM 297 C PRO A 20 6.931 9.634 -5.618 1.00 42.03 C ATOM 298 O PRO A 20 7.689 9.808 -6.595 1.00 12.50 O ATOM 299 CB PRO A 20 7.693 11.134 -3.758 1.00 70.25 C ATOM 300 CG PRO A 20 9.158 11.341 -3.919 1.00 23.13 C ATOM 301 CD PRO A 20 9.785 10.025 -3.599 1.00 13.22 C ATOM 0 HA PRO A 20 6.701 9.164 -3.591 1.00 24.25 H new ATOM 0 HB2 PRO A 20 7.125 11.826 -4.379 1.00 70.25 H new ATOM 0 HB3 PRO A 20 7.381 11.301 -2.727 1.00 70.25 H new ATOM 0 HG2 PRO A 20 9.401 11.655 -4.934 1.00 23.13 H new ATOM 0 HG3 PRO A 20 9.520 12.121 -3.249 1.00 23.13 H new ATOM 0 HD2 PRO A 20 10.724 9.884 -4.134 1.00 13.22 H new ATOM 0 HD3 PRO A 20 10.007 9.931 -2.536 1.00 13.22 H new ATOM 309 N VAL A 21 5.653 9.414 -5.731 1.00 41.11 N ATOM 310 CA VAL A 21 4.965 9.383 -6.998 1.00 73.53 C ATOM 311 C VAL A 21 3.939 10.495 -6.993 1.00 73.44 C ATOM 312 O VAL A 21 3.563 10.983 -5.909 1.00 11.40 O ATOM 313 CB VAL A 21 4.258 8.006 -7.236 1.00 32.34 C ATOM 314 CG1 VAL A 21 5.283 6.882 -7.310 1.00 13.35 C ATOM 315 CG2 VAL A 21 3.234 7.708 -6.132 1.00 52.24 C ATOM 0 H VAL A 21 5.043 9.247 -4.930 1.00 41.11 H new ATOM 0 HA VAL A 21 5.686 9.519 -7.804 1.00 73.53 H new ATOM 0 HB VAL A 21 3.729 8.067 -8.187 1.00 32.34 H new ATOM 0 HG11 VAL A 21 4.772 5.934 -7.476 1.00 13.35 H new ATOM 0 HG12 VAL A 21 5.972 7.071 -8.133 1.00 13.35 H new ATOM 0 HG13 VAL A 21 5.840 6.835 -6.374 1.00 13.35 H new ATOM 0 HG21 VAL A 21 2.760 6.746 -6.325 1.00 52.24 H new ATOM 0 HG22 VAL A 21 3.739 7.676 -5.166 1.00 52.24 H new ATOM 0 HG23 VAL A 21 2.475 8.490 -6.119 1.00 52.24 H new ATOM 325 N SER A 22 3.492 10.918 -8.147 1.00 23.51 N ATOM 326 CA SER A 22 2.498 11.955 -8.194 1.00 51.30 C ATOM 327 C SER A 22 1.128 11.331 -7.966 1.00 70.51 C ATOM 328 O SER A 22 0.520 10.802 -8.897 1.00 31.51 O ATOM 329 CB SER A 22 2.567 12.731 -9.523 1.00 71.52 C ATOM 330 OG SER A 22 1.620 13.795 -9.575 1.00 35.13 O ATOM 0 H SER A 22 3.796 10.565 -9.055 1.00 23.51 H new ATOM 0 HA SER A 22 2.687 12.683 -7.405 1.00 51.30 H new ATOM 0 HB2 SER A 22 3.571 13.134 -9.655 1.00 71.52 H new ATOM 0 HB3 SER A 22 2.387 12.046 -10.352 1.00 71.52 H new ATOM 0 HG SER A 22 1.699 14.261 -10.433 1.00 35.13 H new ATOM 336 N ARG A 23 0.705 11.358 -6.682 1.00 14.02 N ATOM 337 CA ARG A 23 -0.551 10.777 -6.124 1.00 44.34 C ATOM 338 C ARG A 23 -0.648 9.256 -6.303 1.00 41.41 C ATOM 339 O ARG A 23 0.050 8.650 -7.118 1.00 12.53 O ATOM 340 CB ARG A 23 -1.870 11.437 -6.643 1.00 64.34 C ATOM 341 CG ARG A 23 -2.233 11.123 -8.086 1.00 2.35 C ATOM 342 CD ARG A 23 -3.614 11.618 -8.457 1.00 23.11 C ATOM 343 NE ARG A 23 -3.923 11.303 -9.857 1.00 51.30 N ATOM 344 CZ ARG A 23 -5.080 10.814 -10.313 1.00 20.34 C ATOM 345 NH1 ARG A 23 -6.079 10.535 -9.474 1.00 30.03 N ATOM 346 NH2 ARG A 23 -5.228 10.599 -11.611 1.00 63.23 N ATOM 0 H ARG A 23 1.261 11.813 -5.958 1.00 14.02 H new ATOM 0 HA ARG A 23 -0.467 11.009 -5.062 1.00 44.34 H new ATOM 0 HB2 ARG A 23 -2.692 11.119 -6.002 1.00 64.34 H new ATOM 0 HB3 ARG A 23 -1.782 12.518 -6.535 1.00 64.34 H new ATOM 0 HG2 ARG A 23 -1.497 11.578 -8.749 1.00 2.35 H new ATOM 0 HG3 ARG A 23 -2.182 10.046 -8.244 1.00 2.35 H new ATOM 0 HD2 ARG A 23 -4.357 11.160 -7.804 1.00 23.11 H new ATOM 0 HD3 ARG A 23 -3.673 12.695 -8.300 1.00 23.11 H new ATOM 0 HE ARG A 23 -3.188 11.473 -10.544 1.00 51.30 H new ATOM 0 HH11 ARG A 23 -5.964 10.695 -8.473 1.00 30.03 H new ATOM 0 HH12 ARG A 23 -6.958 10.162 -9.833 1.00 30.03 H new ATOM 0 HH21 ARG A 23 -4.463 10.806 -12.253 1.00 63.23 H new ATOM 0 HH22 ARG A 23 -6.107 10.226 -11.969 1.00 63.23 H new ATOM 360 N ILE A 24 -1.511 8.649 -5.517 1.00 11.10 N ATOM 361 CA ILE A 24 -1.828 7.251 -5.682 1.00 32.11 C ATOM 362 C ILE A 24 -2.812 7.216 -6.827 1.00 55.34 C ATOM 363 O ILE A 24 -3.974 7.625 -6.671 1.00 52.12 O ATOM 364 CB ILE A 24 -2.515 6.650 -4.412 1.00 63.02 C ATOM 365 CG1 ILE A 24 -1.739 6.996 -3.109 1.00 34.21 C ATOM 366 CG2 ILE A 24 -2.660 5.138 -4.550 1.00 32.12 C ATOM 367 CD1 ILE A 24 -0.316 6.516 -3.049 1.00 3.31 C ATOM 0 H ILE A 24 -2.007 9.107 -4.753 1.00 11.10 H new ATOM 0 HA ILE A 24 -0.924 6.668 -5.857 1.00 32.11 H new ATOM 0 HB ILE A 24 -3.504 7.101 -4.336 1.00 63.02 H new ATOM 0 HG12 ILE A 24 -1.743 8.079 -2.983 1.00 34.21 H new ATOM 0 HG13 ILE A 24 -2.281 6.574 -2.263 1.00 34.21 H new ATOM 0 HG21 ILE A 24 -3.140 4.736 -3.658 1.00 32.12 H new ATOM 0 HG22 ILE A 24 -3.269 4.909 -5.424 1.00 32.12 H new ATOM 0 HG23 ILE A 24 -1.675 4.687 -4.667 1.00 32.12 H new ATOM 0 HD11 ILE A 24 0.128 6.812 -2.099 1.00 3.31 H new ATOM 0 HD12 ILE A 24 -0.294 5.430 -3.137 1.00 3.31 H new ATOM 0 HD13 ILE A 24 0.252 6.958 -3.868 1.00 3.31 H new ATOM 379 N LYS A 25 -2.350 6.816 -7.971 1.00 22.04 N ATOM 380 CA LYS A 25 -3.154 6.873 -9.150 1.00 13.12 C ATOM 381 C LYS A 25 -3.613 5.495 -9.542 1.00 44.04 C ATOM 382 O LYS A 25 -2.955 4.501 -9.214 1.00 14.00 O ATOM 383 CB LYS A 25 -2.344 7.507 -10.271 1.00 3.45 C ATOM 384 CG LYS A 25 -1.150 6.703 -10.722 1.00 55.12 C ATOM 385 CD LYS A 25 -0.341 7.495 -11.705 1.00 2.21 C ATOM 386 CE LYS A 25 0.352 8.645 -11.023 1.00 64.15 C ATOM 387 NZ LYS A 25 0.867 9.628 -11.969 1.00 52.13 N ATOM 0 H LYS A 25 -1.411 6.443 -8.113 1.00 22.04 H new ATOM 0 HA LYS A 25 -4.040 7.478 -8.957 1.00 13.12 H new ATOM 0 HB2 LYS A 25 -2.999 7.669 -11.127 1.00 3.45 H new ATOM 0 HB3 LYS A 25 -2.001 8.488 -9.942 1.00 3.45 H new ATOM 0 HG2 LYS A 25 -0.535 6.437 -9.863 1.00 55.12 H new ATOM 0 HG3 LYS A 25 -1.481 5.770 -11.178 1.00 55.12 H new ATOM 0 HD2 LYS A 25 0.398 6.849 -12.179 1.00 2.21 H new ATOM 0 HD3 LYS A 25 -0.989 7.872 -12.496 1.00 2.21 H new ATOM 0 HE2 LYS A 25 -0.345 9.132 -10.341 1.00 64.15 H new ATOM 0 HE3 LYS A 25 1.174 8.262 -10.418 1.00 64.15 H new ATOM 0 HZ1 LYS A 25 1.828 9.910 -11.688 1.00 52.13 H new ATOM 0 HZ2 LYS A 25 0.892 9.213 -12.922 1.00 52.13 H new ATOM 0 HZ3 LYS A 25 0.248 10.464 -11.972 1.00 52.13 H new ATOM 401 N THR A 26 -4.729 5.434 -10.223 1.00 15.32 N ATOM 402 CA THR A 26 -5.256 4.197 -10.676 1.00 42.31 C ATOM 403 C THR A 26 -5.303 4.094 -12.188 1.00 73.45 C ATOM 404 O THR A 26 -5.767 5.007 -12.885 1.00 42.42 O ATOM 405 CB THR A 26 -6.649 3.909 -10.078 1.00 73.01 C ATOM 406 OG1 THR A 26 -7.463 5.097 -10.100 1.00 30.03 O ATOM 407 CG2 THR A 26 -6.550 3.357 -8.673 1.00 73.55 C ATOM 0 H THR A 26 -5.290 6.249 -10.473 1.00 15.32 H new ATOM 0 HA THR A 26 -4.563 3.436 -10.318 1.00 42.31 H new ATOM 0 HB THR A 26 -7.124 3.148 -10.697 1.00 73.01 H new ATOM 0 HG1 THR A 26 -8.344 4.897 -9.719 1.00 30.03 H new ATOM 0 HG21 THR A 26 -7.551 3.167 -8.285 1.00 73.55 H new ATOM 0 HG22 THR A 26 -5.983 2.426 -8.687 1.00 73.55 H new ATOM 0 HG23 THR A 26 -6.044 4.080 -8.033 1.00 73.55 H new ATOM 415 N TYR A 27 -4.780 3.015 -12.684 1.00 41.05 N ATOM 416 CA TYR A 27 -4.886 2.673 -14.074 1.00 62.35 C ATOM 417 C TYR A 27 -5.759 1.475 -14.188 1.00 53.24 C ATOM 418 O TYR A 27 -5.671 0.569 -13.365 1.00 72.33 O ATOM 419 CB TYR A 27 -3.516 2.401 -14.700 1.00 3.52 C ATOM 420 CG TYR A 27 -2.664 3.631 -14.826 1.00 52.21 C ATOM 421 CD1 TYR A 27 -2.814 4.480 -15.910 1.00 12.51 C ATOM 422 CD2 TYR A 27 -1.723 3.951 -13.868 1.00 42.14 C ATOM 423 CE1 TYR A 27 -2.046 5.613 -16.035 1.00 75.12 C ATOM 424 CE2 TYR A 27 -0.954 5.085 -13.988 1.00 65.30 C ATOM 425 CZ TYR A 27 -1.120 5.911 -15.072 1.00 34.45 C ATOM 426 OH TYR A 27 -0.350 7.038 -15.192 1.00 43.25 O ATOM 0 H TYR A 27 -4.260 2.336 -12.129 1.00 41.05 H new ATOM 0 HA TYR A 27 -5.316 3.513 -14.618 1.00 62.35 H new ATOM 0 HB2 TYR A 27 -2.989 1.663 -14.096 1.00 3.52 H new ATOM 0 HB3 TYR A 27 -3.657 1.962 -15.688 1.00 3.52 H new ATOM 0 HD1 TYR A 27 -3.546 4.248 -16.669 1.00 12.51 H new ATOM 0 HD2 TYR A 27 -1.589 3.303 -13.014 1.00 42.14 H new ATOM 0 HE1 TYR A 27 -2.172 6.264 -16.887 1.00 75.12 H new ATOM 0 HE2 TYR A 27 -0.222 5.325 -13.232 1.00 65.30 H new ATOM 0 HH TYR A 27 0.256 7.104 -14.424 1.00 43.25 H new ATOM 436 N THR A 28 -6.622 1.466 -15.143 1.00 32.10 N ATOM 437 CA THR A 28 -7.480 0.354 -15.316 1.00 4.30 C ATOM 438 C THR A 28 -7.121 -0.364 -16.612 1.00 51.30 C ATOM 439 O THR A 28 -6.987 0.257 -17.667 1.00 24.21 O ATOM 440 CB THR A 28 -8.958 0.786 -15.320 1.00 43.11 C ATOM 441 OG1 THR A 28 -9.170 1.664 -14.201 1.00 31.31 O ATOM 442 CG2 THR A 28 -9.860 -0.431 -15.134 1.00 12.12 C ATOM 0 H THR A 28 -6.750 2.221 -15.817 1.00 32.10 H new ATOM 0 HA THR A 28 -7.345 -0.329 -14.478 1.00 4.30 H new ATOM 0 HB THR A 28 -9.190 1.276 -16.266 1.00 43.11 H new ATOM 0 HG1 THR A 28 -10.106 1.953 -14.185 1.00 31.31 H new ATOM 0 HG21 THR A 28 -10.903 -0.115 -15.138 1.00 12.12 H new ATOM 0 HG22 THR A 28 -9.691 -1.137 -15.948 1.00 12.12 H new ATOM 0 HG23 THR A 28 -9.631 -0.912 -14.183 1.00 12.12 H new ATOM 450 N ILE A 29 -6.912 -1.638 -16.508 1.00 23.34 N ATOM 451 CA ILE A 29 -6.592 -2.456 -17.634 1.00 40.41 C ATOM 452 C ILE A 29 -7.814 -3.234 -18.018 1.00 11.21 C ATOM 453 O ILE A 29 -8.479 -3.794 -17.181 1.00 54.33 O ATOM 454 CB ILE A 29 -5.446 -3.439 -17.307 1.00 35.43 C ATOM 455 CG1 ILE A 29 -4.198 -2.660 -16.899 1.00 32.12 C ATOM 456 CG2 ILE A 29 -5.155 -4.333 -18.515 1.00 51.20 C ATOM 457 CD1 ILE A 29 -3.095 -3.488 -16.323 1.00 30.44 C ATOM 0 H ILE A 29 -6.960 -2.147 -15.625 1.00 23.34 H new ATOM 0 HA ILE A 29 -6.265 -1.815 -18.452 1.00 40.41 H new ATOM 0 HB ILE A 29 -5.747 -4.076 -16.476 1.00 35.43 H new ATOM 0 HG12 ILE A 29 -3.817 -2.131 -17.773 1.00 32.12 H new ATOM 0 HG13 ILE A 29 -4.483 -1.903 -16.168 1.00 32.12 H new ATOM 0 HG21 ILE A 29 -4.345 -5.021 -18.272 1.00 51.20 H new ATOM 0 HG22 ILE A 29 -6.049 -4.901 -18.771 1.00 51.20 H new ATOM 0 HG23 ILE A 29 -4.863 -3.714 -19.363 1.00 51.20 H new ATOM 0 HD11 ILE A 29 -2.254 -2.845 -16.065 1.00 30.44 H new ATOM 0 HD12 ILE A 29 -3.451 -3.996 -15.427 1.00 30.44 H new ATOM 0 HD13 ILE A 29 -2.774 -4.228 -17.056 1.00 30.44 H new ATOM 469 N THR A 30 -8.107 -3.222 -19.245 1.00 22.54 N ATOM 470 CA THR A 30 -9.212 -3.946 -19.782 1.00 11.14 C ATOM 471 C THR A 30 -8.758 -4.667 -21.035 1.00 62.24 C ATOM 472 O THR A 30 -8.463 -4.022 -22.060 1.00 14.15 O ATOM 473 CB THR A 30 -10.425 -3.021 -20.091 1.00 40.34 C ATOM 474 OG1 THR A 30 -10.031 -1.945 -20.968 1.00 4.44 O ATOM 475 CG2 THR A 30 -11.032 -2.441 -18.814 1.00 53.43 C ATOM 0 H THR A 30 -7.579 -2.697 -19.942 1.00 22.54 H new ATOM 0 HA THR A 30 -9.551 -4.665 -19.037 1.00 11.14 H new ATOM 0 HB THR A 30 -11.181 -3.633 -20.583 1.00 40.34 H new ATOM 0 HG1 THR A 30 -9.379 -2.277 -21.620 1.00 4.44 H new ATOM 0 HG21 THR A 30 -11.876 -1.801 -19.071 1.00 53.43 H new ATOM 0 HG22 THR A 30 -11.374 -3.253 -18.172 1.00 53.43 H new ATOM 0 HG23 THR A 30 -10.279 -1.855 -18.287 1.00 53.43 H new ATOM 483 N GLU A 31 -8.637 -5.961 -20.957 1.00 52.32 N ATOM 484 CA GLU A 31 -8.213 -6.713 -22.110 1.00 40.02 C ATOM 485 C GLU A 31 -9.036 -7.978 -22.242 1.00 25.24 C ATOM 486 O GLU A 31 -9.160 -8.734 -21.293 1.00 64.33 O ATOM 487 CB GLU A 31 -6.658 -6.938 -22.088 1.00 24.54 C ATOM 488 CG GLU A 31 -6.057 -7.878 -21.025 1.00 60.23 C ATOM 489 CD GLU A 31 -5.951 -9.341 -21.483 1.00 1.21 C ATOM 490 OE1 GLU A 31 -4.984 -9.645 -22.226 1.00 1.43 O ATOM 491 OE2 GLU A 31 -6.741 -10.183 -21.080 1.00 74.43 O ATOM 0 H GLU A 31 -8.822 -6.515 -20.121 1.00 52.32 H new ATOM 0 HA GLU A 31 -8.403 -6.143 -23.019 1.00 40.02 H new ATOM 0 HB2 GLU A 31 -6.366 -7.318 -23.067 1.00 24.54 H new ATOM 0 HB3 GLU A 31 -6.185 -5.963 -21.971 1.00 24.54 H new ATOM 0 HG2 GLU A 31 -5.064 -7.518 -20.754 1.00 60.23 H new ATOM 0 HG3 GLU A 31 -6.669 -7.832 -20.124 1.00 60.23 H new ATOM 498 N GLY A 32 -9.670 -8.145 -23.395 1.00 4.53 N ATOM 499 CA GLY A 32 -10.502 -9.309 -23.655 1.00 62.21 C ATOM 500 C GLY A 32 -11.767 -9.328 -22.799 1.00 23.10 C ATOM 501 O GLY A 32 -12.846 -8.917 -23.237 1.00 61.24 O ATOM 0 H GLY A 32 -9.622 -7.483 -24.169 1.00 4.53 H new ATOM 0 HA2 GLY A 32 -10.780 -9.324 -24.709 1.00 62.21 H new ATOM 0 HA3 GLY A 32 -9.925 -10.214 -23.464 1.00 62.21 H new ATOM 505 N SER A 33 -11.627 -9.811 -21.593 1.00 71.22 N ATOM 506 CA SER A 33 -12.697 -9.880 -20.621 1.00 64.12 C ATOM 507 C SER A 33 -12.096 -9.715 -19.224 1.00 33.32 C ATOM 508 O SER A 33 -12.722 -10.035 -18.214 1.00 23.00 O ATOM 509 CB SER A 33 -13.400 -11.237 -20.722 1.00 4.11 C ATOM 510 OG SER A 33 -13.956 -11.440 -22.021 1.00 72.40 O ATOM 0 H SER A 33 -10.742 -10.179 -21.245 1.00 71.22 H new ATOM 0 HA SER A 33 -13.424 -9.091 -20.811 1.00 64.12 H new ATOM 0 HB2 SER A 33 -12.690 -12.034 -20.500 1.00 4.11 H new ATOM 0 HB3 SER A 33 -14.190 -11.296 -19.973 1.00 4.11 H new ATOM 0 HG SER A 33 -14.396 -12.315 -22.055 1.00 72.40 H new ATOM 516 N LEU A 34 -10.915 -9.159 -19.187 1.00 4.42 N ATOM 517 CA LEU A 34 -10.149 -9.023 -17.978 1.00 34.32 C ATOM 518 C LEU A 34 -10.056 -7.559 -17.591 1.00 54.51 C ATOM 519 O LEU A 34 -9.761 -6.706 -18.435 1.00 32.11 O ATOM 520 CB LEU A 34 -8.743 -9.676 -18.232 1.00 65.30 C ATOM 521 CG LEU A 34 -7.654 -9.653 -17.125 1.00 63.14 C ATOM 522 CD1 LEU A 34 -7.048 -8.261 -16.935 1.00 30.23 C ATOM 523 CD2 LEU A 34 -8.212 -10.191 -15.816 1.00 44.25 C ATOM 0 H LEU A 34 -10.450 -8.781 -20.012 1.00 4.42 H new ATOM 0 HA LEU A 34 -10.624 -9.533 -17.140 1.00 34.32 H new ATOM 0 HB2 LEU A 34 -8.915 -10.720 -18.493 1.00 65.30 H new ATOM 0 HB3 LEU A 34 -8.318 -9.193 -19.112 1.00 65.30 H new ATOM 0 HG LEU A 34 -6.844 -10.305 -17.453 1.00 63.14 H new ATOM 0 HD11 LEU A 34 -6.292 -8.297 -16.150 1.00 30.23 H new ATOM 0 HD12 LEU A 34 -6.588 -7.934 -17.867 1.00 30.23 H new ATOM 0 HD13 LEU A 34 -7.832 -7.559 -16.651 1.00 30.23 H new ATOM 0 HD21 LEU A 34 -7.435 -10.167 -15.052 1.00 44.25 H new ATOM 0 HD22 LEU A 34 -9.052 -9.574 -15.498 1.00 44.25 H new ATOM 0 HD23 LEU A 34 -8.549 -11.218 -15.959 1.00 44.25 H new ATOM 535 N ARG A 35 -10.338 -7.268 -16.329 1.00 62.52 N ATOM 536 CA ARG A 35 -10.240 -5.915 -15.813 1.00 23.31 C ATOM 537 C ARG A 35 -9.153 -5.872 -14.796 1.00 34.23 C ATOM 538 O ARG A 35 -8.984 -6.802 -14.069 1.00 65.24 O ATOM 539 CB ARG A 35 -11.536 -5.498 -15.142 1.00 45.13 C ATOM 540 CG ARG A 35 -12.716 -5.376 -16.060 1.00 22.21 C ATOM 541 CD ARG A 35 -13.949 -5.024 -15.269 1.00 42.30 C ATOM 542 NE ARG A 35 -15.111 -4.819 -16.126 1.00 43.52 N ATOM 543 CZ ARG A 35 -16.267 -4.300 -15.716 1.00 31.21 C ATOM 544 NH1 ARG A 35 -16.427 -3.941 -14.440 1.00 0.12 N ATOM 545 NH2 ARG A 35 -17.260 -4.134 -16.581 1.00 71.35 N ATOM 0 H ARG A 35 -10.639 -7.958 -15.641 1.00 62.52 H new ATOM 0 HA ARG A 35 -10.034 -5.238 -16.642 1.00 23.31 H new ATOM 0 HB2 ARG A 35 -11.774 -6.223 -14.364 1.00 45.13 H new ATOM 0 HB3 ARG A 35 -11.379 -4.539 -14.647 1.00 45.13 H new ATOM 0 HG2 ARG A 35 -12.525 -4.610 -16.812 1.00 22.21 H new ATOM 0 HG3 ARG A 35 -12.871 -6.314 -16.593 1.00 22.21 H new ATOM 0 HD2 ARG A 35 -14.161 -5.821 -14.556 1.00 42.30 H new ATOM 0 HD3 ARG A 35 -13.762 -4.119 -14.690 1.00 42.30 H new ATOM 0 HE ARG A 35 -15.033 -5.092 -17.106 1.00 43.52 H new ATOM 0 HH11 ARG A 35 -15.663 -4.064 -13.776 1.00 0.12 H new ATOM 0 HH12 ARG A 35 -17.314 -3.544 -14.129 1.00 0.12 H new ATOM 0 HH21 ARG A 35 -17.137 -4.404 -17.557 1.00 71.35 H new ATOM 0 HH22 ARG A 35 -18.146 -3.737 -16.270 1.00 71.35 H new ATOM 559 N CYS A 36 -8.394 -4.842 -14.769 1.00 74.25 N ATOM 560 CA CYS A 36 -7.377 -4.738 -13.772 1.00 31.23 C ATOM 561 C CYS A 36 -7.309 -3.314 -13.269 1.00 62.12 C ATOM 562 O CYS A 36 -7.539 -2.393 -14.027 1.00 61.11 O ATOM 563 CB CYS A 36 -6.043 -5.149 -14.342 1.00 35.41 C ATOM 564 SG CYS A 36 -4.931 -5.883 -13.083 1.00 12.31 S ATOM 0 H CYS A 36 -8.450 -4.058 -15.419 1.00 74.25 H new ATOM 0 HA CYS A 36 -7.620 -5.403 -12.943 1.00 31.23 H new ATOM 0 HB2 CYS A 36 -6.202 -5.869 -15.145 1.00 35.41 H new ATOM 0 HB3 CYS A 36 -5.559 -4.279 -14.786 1.00 35.41 H new ATOM 569 N VAL A 37 -7.019 -3.129 -12.011 1.00 34.22 N ATOM 570 CA VAL A 37 -6.896 -1.806 -11.448 1.00 62.54 C ATOM 571 C VAL A 37 -5.554 -1.715 -10.767 1.00 51.35 C ATOM 572 O VAL A 37 -5.190 -2.596 -9.984 1.00 20.45 O ATOM 573 CB VAL A 37 -8.016 -1.486 -10.425 1.00 51.54 C ATOM 574 CG1 VAL A 37 -7.928 -0.051 -9.950 1.00 70.42 C ATOM 575 CG2 VAL A 37 -9.393 -1.795 -10.984 1.00 25.32 C ATOM 0 H VAL A 37 -6.861 -3.886 -11.346 1.00 34.22 H new ATOM 0 HA VAL A 37 -6.988 -1.079 -12.255 1.00 62.54 H new ATOM 0 HB VAL A 37 -7.863 -2.135 -9.563 1.00 51.54 H new ATOM 0 HG11 VAL A 37 -8.726 0.145 -9.234 1.00 70.42 H new ATOM 0 HG12 VAL A 37 -6.962 0.116 -9.472 1.00 70.42 H new ATOM 0 HG13 VAL A 37 -8.032 0.621 -10.802 1.00 70.42 H new ATOM 0 HG21 VAL A 37 -10.151 -1.557 -10.237 1.00 25.32 H new ATOM 0 HG22 VAL A 37 -9.565 -1.197 -11.879 1.00 25.32 H new ATOM 0 HG23 VAL A 37 -9.453 -2.853 -11.238 1.00 25.32 H new ATOM 585 N ILE A 38 -4.831 -0.680 -11.064 1.00 24.22 N ATOM 586 CA ILE A 38 -3.501 -0.503 -10.554 1.00 55.52 C ATOM 587 C ILE A 38 -3.444 0.719 -9.681 1.00 3.30 C ATOM 588 O ILE A 38 -3.725 1.809 -10.141 1.00 33.10 O ATOM 589 CB ILE A 38 -2.526 -0.268 -11.714 1.00 22.40 C ATOM 590 CG1 ILE A 38 -2.633 -1.392 -12.726 1.00 33.03 C ATOM 591 CG2 ILE A 38 -1.089 -0.151 -11.196 1.00 2.25 C ATOM 592 CD1 ILE A 38 -1.861 -1.128 -13.971 1.00 50.44 C ATOM 0 H ILE A 38 -5.148 0.075 -11.673 1.00 24.22 H new ATOM 0 HA ILE A 38 -3.233 -1.397 -9.991 1.00 55.52 H new ATOM 0 HB ILE A 38 -2.791 0.669 -12.203 1.00 22.40 H new ATOM 0 HG12 ILE A 38 -2.276 -2.317 -12.273 1.00 33.03 H new ATOM 0 HG13 ILE A 38 -3.682 -1.546 -12.981 1.00 33.03 H new ATOM 0 HG21 ILE A 38 -0.412 0.015 -12.034 1.00 2.25 H new ATOM 0 HG22 ILE A 38 -1.020 0.686 -10.502 1.00 2.25 H new ATOM 0 HG23 ILE A 38 -0.811 -1.072 -10.683 1.00 2.25 H new ATOM 0 HD11 ILE A 38 -1.977 -1.968 -14.656 1.00 50.44 H new ATOM 0 HD12 ILE A 38 -2.234 -0.220 -14.444 1.00 50.44 H new ATOM 0 HD13 ILE A 38 -0.806 -1.003 -13.726 1.00 50.44 H new ATOM 604 N PHE A 39 -3.109 0.524 -8.448 1.00 61.21 N ATOM 605 CA PHE A 39 -2.905 1.586 -7.517 1.00 64.14 C ATOM 606 C PHE A 39 -1.423 1.826 -7.373 1.00 31.14 C ATOM 607 O PHE A 39 -0.711 0.963 -6.832 1.00 74.51 O ATOM 608 CB PHE A 39 -3.469 1.225 -6.153 1.00 62.22 C ATOM 609 CG PHE A 39 -4.955 1.183 -6.082 1.00 44.14 C ATOM 610 CD1 PHE A 39 -5.665 0.151 -6.651 1.00 51.22 C ATOM 611 CD2 PHE A 39 -5.640 2.176 -5.422 1.00 13.34 C ATOM 612 CE1 PHE A 39 -7.031 0.105 -6.561 1.00 32.11 C ATOM 613 CE2 PHE A 39 -7.004 2.145 -5.327 1.00 13.04 C ATOM 614 CZ PHE A 39 -7.712 1.107 -5.898 1.00 40.03 C ATOM 0 H PHE A 39 -2.966 -0.404 -8.049 1.00 61.21 H new ATOM 0 HA PHE A 39 -3.413 2.477 -7.886 1.00 64.14 H new ATOM 0 HB2 PHE A 39 -3.078 0.251 -5.860 1.00 62.22 H new ATOM 0 HB3 PHE A 39 -3.105 1.947 -5.422 1.00 62.22 H new ATOM 0 HD1 PHE A 39 -5.139 -0.633 -7.175 1.00 51.22 H new ATOM 0 HD2 PHE A 39 -5.093 2.992 -4.972 1.00 13.34 H new ATOM 0 HE1 PHE A 39 -7.575 -0.714 -7.008 1.00 32.11 H new ATOM 0 HE2 PHE A 39 -7.527 2.933 -4.805 1.00 13.04 H new ATOM 0 HZ PHE A 39 -8.789 1.079 -5.827 1.00 40.03 H new ATOM 624 N ILE A 40 -0.931 2.941 -7.855 1.00 71.43 N ATOM 625 CA ILE A 40 0.490 3.203 -7.719 1.00 33.11 C ATOM 626 C ILE A 40 0.692 3.974 -6.458 1.00 34.52 C ATOM 627 O ILE A 40 0.166 5.074 -6.321 1.00 41.34 O ATOM 628 CB ILE A 40 1.074 4.050 -8.879 1.00 54.15 C ATOM 629 CG1 ILE A 40 0.570 3.537 -10.222 1.00 3.20 C ATOM 630 CG2 ILE A 40 2.604 4.045 -8.825 1.00 0.45 C ATOM 631 CD1 ILE A 40 1.263 4.130 -11.436 1.00 74.23 C ATOM 0 H ILE A 40 -1.469 3.665 -8.332 1.00 71.43 H new ATOM 0 HA ILE A 40 1.000 2.240 -7.723 1.00 33.11 H new ATOM 0 HB ILE A 40 0.735 5.080 -8.765 1.00 54.15 H new ATOM 0 HG12 ILE A 40 0.688 2.454 -10.248 1.00 3.20 H new ATOM 0 HG13 ILE A 40 -0.498 3.743 -10.295 1.00 3.20 H new ATOM 0 HG21 ILE A 40 2.999 4.644 -9.646 1.00 0.45 H new ATOM 0 HG22 ILE A 40 2.936 4.466 -7.876 1.00 0.45 H new ATOM 0 HG23 ILE A 40 2.968 3.021 -8.915 1.00 0.45 H new ATOM 0 HD11 ILE A 40 0.836 3.703 -12.343 1.00 74.23 H new ATOM 0 HD12 ILE A 40 1.124 5.211 -11.443 1.00 74.23 H new ATOM 0 HD13 ILE A 40 2.328 3.902 -11.395 1.00 74.23 H new ATOM 643 N THR A 41 1.422 3.425 -5.538 1.00 55.35 N ATOM 644 CA THR A 41 1.645 4.100 -4.317 1.00 22.34 C ATOM 645 C THR A 41 3.109 4.474 -4.220 1.00 40.45 C ATOM 646 O THR A 41 3.945 3.924 -4.939 1.00 71.25 O ATOM 647 CB THR A 41 1.224 3.255 -3.068 1.00 71.22 C ATOM 648 OG1 THR A 41 2.095 2.130 -2.900 1.00 1.21 O ATOM 649 CG2 THR A 41 -0.196 2.721 -3.219 1.00 71.20 C ATOM 0 H THR A 41 1.869 2.512 -5.617 1.00 55.35 H new ATOM 0 HA THR A 41 1.019 4.993 -4.314 1.00 22.34 H new ATOM 0 HB THR A 41 1.284 3.916 -2.203 1.00 71.22 H new ATOM 0 HG1 THR A 41 2.580 1.964 -3.735 1.00 1.21 H new ATOM 0 HG21 THR A 41 -0.461 2.138 -2.337 1.00 71.20 H new ATOM 0 HG22 THR A 41 -0.889 3.556 -3.324 1.00 71.20 H new ATOM 0 HG23 THR A 41 -0.254 2.087 -4.104 1.00 71.20 H new ATOM 657 N LYS A 42 3.417 5.384 -3.339 1.00 10.24 N ATOM 658 CA LYS A 42 4.803 5.827 -3.140 1.00 54.22 C ATOM 659 C LYS A 42 5.744 4.745 -2.532 1.00 52.03 C ATOM 660 O LYS A 42 6.933 4.986 -2.349 1.00 62.43 O ATOM 661 CB LYS A 42 4.875 7.203 -2.413 1.00 64.43 C ATOM 662 CG LYS A 42 3.948 7.365 -1.196 1.00 23.33 C ATOM 663 CD LYS A 42 4.234 6.375 -0.080 1.00 55.24 C ATOM 664 CE LYS A 42 5.596 6.604 0.581 1.00 45.53 C ATOM 665 NZ LYS A 42 5.716 7.943 1.186 1.00 23.43 N ATOM 0 H LYS A 42 2.736 5.846 -2.736 1.00 10.24 H new ATOM 0 HA LYS A 42 5.209 5.984 -4.139 1.00 54.22 H new ATOM 0 HB2 LYS A 42 5.902 7.368 -2.088 1.00 64.43 H new ATOM 0 HB3 LYS A 42 4.639 7.986 -3.133 1.00 64.43 H new ATOM 0 HG2 LYS A 42 4.047 8.378 -0.806 1.00 23.33 H new ATOM 0 HG3 LYS A 42 2.914 7.247 -1.519 1.00 23.33 H new ATOM 0 HD2 LYS A 42 3.452 6.450 0.675 1.00 55.24 H new ATOM 0 HD3 LYS A 42 4.195 5.362 -0.480 1.00 55.24 H new ATOM 0 HE2 LYS A 42 5.754 5.847 1.349 1.00 45.53 H new ATOM 0 HE3 LYS A 42 6.383 6.474 -0.162 1.00 45.53 H new ATOM 0 HZ1 LYS A 42 6.554 7.972 1.802 1.00 23.43 H new ATOM 0 HZ2 LYS A 42 5.814 8.656 0.435 1.00 23.43 H new ATOM 0 HZ3 LYS A 42 4.865 8.147 1.749 1.00 23.43 H new ATOM 679 N ARG A 43 5.196 3.568 -2.218 1.00 71.22 N ATOM 680 CA ARG A 43 6.009 2.445 -1.755 1.00 72.31 C ATOM 681 C ARG A 43 5.690 1.170 -2.493 1.00 30.30 C ATOM 682 O ARG A 43 5.950 0.077 -1.993 1.00 10.11 O ATOM 683 CB ARG A 43 5.925 2.208 -0.255 1.00 75.22 C ATOM 684 CG ARG A 43 6.609 3.270 0.551 1.00 74.03 C ATOM 685 CD ARG A 43 6.753 2.861 1.987 1.00 11.15 C ATOM 686 NE ARG A 43 7.570 1.640 2.123 1.00 3.10 N ATOM 687 CZ ARG A 43 8.760 1.569 2.749 1.00 70.41 C ATOM 688 NH1 ARG A 43 9.318 2.667 3.252 1.00 2.41 N ATOM 689 NH2 ARG A 43 9.396 0.398 2.849 1.00 42.35 N ATOM 0 H ARG A 43 4.197 3.370 -2.276 1.00 71.22 H new ATOM 0 HA ARG A 43 7.035 2.736 -1.979 1.00 72.31 H new ATOM 0 HB2 ARG A 43 4.877 2.156 0.040 1.00 75.22 H new ATOM 0 HB3 ARG A 43 6.370 1.241 -0.021 1.00 75.22 H new ATOM 0 HG2 ARG A 43 7.593 3.472 0.128 1.00 74.03 H new ATOM 0 HG3 ARG A 43 6.040 4.198 0.491 1.00 74.03 H new ATOM 0 HD2 ARG A 43 7.212 3.672 2.553 1.00 11.15 H new ATOM 0 HD3 ARG A 43 5.767 2.690 2.418 1.00 11.15 H new ATOM 0 HE ARG A 43 7.204 0.782 1.710 1.00 3.10 H new ATOM 0 HH11 ARG A 43 8.844 3.566 3.164 1.00 2.41 H new ATOM 0 HH12 ARG A 43 10.220 2.610 3.726 1.00 2.41 H new ATOM 0 HH21 ARG A 43 8.980 -0.444 2.451 1.00 42.35 H new ATOM 0 HH22 ARG A 43 10.297 0.346 3.324 1.00 42.35 H new ATOM 703 N GLY A 44 5.160 1.289 -3.681 1.00 61.25 N ATOM 704 CA GLY A 44 4.919 0.116 -4.468 1.00 44.32 C ATOM 705 C GLY A 44 3.621 0.172 -5.179 1.00 45.53 C ATOM 706 O GLY A 44 2.966 1.202 -5.200 1.00 44.31 O ATOM 0 H GLY A 44 4.892 2.171 -4.117 1.00 61.25 H new ATOM 0 HA2 GLY A 44 5.723 -0.003 -5.194 1.00 44.32 H new ATOM 0 HA3 GLY A 44 4.939 -0.762 -3.823 1.00 44.32 H new ATOM 710 N LEU A 45 3.221 -0.914 -5.750 1.00 61.54 N ATOM 711 CA LEU A 45 1.982 -0.926 -6.469 1.00 61.34 C ATOM 712 C LEU A 45 1.060 -1.984 -5.950 1.00 33.03 C ATOM 713 O LEU A 45 1.491 -3.056 -5.507 1.00 20.13 O ATOM 714 CB LEU A 45 2.147 -1.058 -8.007 1.00 64.13 C ATOM 715 CG LEU A 45 2.880 0.084 -8.743 1.00 0.23 C ATOM 716 CD1 LEU A 45 4.376 0.081 -8.478 1.00 40.01 C ATOM 717 CD2 LEU A 45 2.578 0.061 -10.232 1.00 53.32 C ATOM 0 H LEU A 45 3.725 -1.800 -5.736 1.00 61.54 H new ATOM 0 HA LEU A 45 1.538 0.054 -6.292 1.00 61.34 H new ATOM 0 HB2 LEU A 45 2.680 -1.987 -8.210 1.00 64.13 H new ATOM 0 HB3 LEU A 45 1.154 -1.158 -8.445 1.00 64.13 H new ATOM 0 HG LEU A 45 2.495 1.019 -8.337 1.00 0.23 H new ATOM 0 HD11 LEU A 45 4.843 0.904 -9.019 1.00 40.01 H new ATOM 0 HD12 LEU A 45 4.557 0.200 -7.410 1.00 40.01 H new ATOM 0 HD13 LEU A 45 4.803 -0.864 -8.815 1.00 40.01 H new ATOM 0 HD21 LEU A 45 3.108 0.877 -10.723 1.00 53.32 H new ATOM 0 HD22 LEU A 45 2.903 -0.890 -10.655 1.00 53.32 H new ATOM 0 HD23 LEU A 45 1.506 0.179 -10.388 1.00 53.32 H new ATOM 729 N LYS A 46 -0.177 -1.664 -5.967 1.00 11.12 N ATOM 730 CA LYS A 46 -1.227 -2.549 -5.604 1.00 41.45 C ATOM 731 C LYS A 46 -2.034 -2.779 -6.864 1.00 64.55 C ATOM 732 O LYS A 46 -2.540 -1.849 -7.454 1.00 64.20 O ATOM 733 CB LYS A 46 -2.034 -1.915 -4.409 1.00 61.35 C ATOM 734 CG LYS A 46 -3.355 -2.578 -3.994 1.00 70.45 C ATOM 735 CD LYS A 46 -4.423 -2.225 -4.985 1.00 71.31 C ATOM 736 CE LYS A 46 -5.803 -2.672 -4.620 1.00 53.12 C ATOM 737 NZ LYS A 46 -6.266 -2.129 -3.318 1.00 50.22 N ATOM 0 H LYS A 46 -0.505 -0.739 -6.246 1.00 11.12 H new ATOM 0 HA LYS A 46 -0.887 -3.518 -5.239 1.00 41.45 H new ATOM 0 HB2 LYS A 46 -1.381 -1.900 -3.537 1.00 61.35 H new ATOM 0 HB3 LYS A 46 -2.248 -0.877 -4.665 1.00 61.35 H new ATOM 0 HG2 LYS A 46 -3.232 -3.660 -3.945 1.00 70.45 H new ATOM 0 HG3 LYS A 46 -3.644 -2.245 -2.997 1.00 70.45 H new ATOM 0 HD2 LYS A 46 -4.432 -1.143 -5.116 1.00 71.31 H new ATOM 0 HD3 LYS A 46 -4.160 -2.661 -5.949 1.00 71.31 H new ATOM 0 HE2 LYS A 46 -6.497 -2.365 -5.402 1.00 53.12 H new ATOM 0 HE3 LYS A 46 -5.828 -3.761 -4.582 1.00 53.12 H new ATOM 0 HZ1 LYS A 46 -7.279 -2.331 -3.198 1.00 50.22 H new ATOM 0 HZ2 LYS A 46 -5.731 -2.575 -2.546 1.00 50.22 H new ATOM 0 HZ3 LYS A 46 -6.113 -1.101 -3.297 1.00 50.22 H new ATOM 751 N VAL A 47 -2.132 -3.994 -7.272 1.00 2.44 N ATOM 752 CA VAL A 47 -2.766 -4.310 -8.526 1.00 64.31 C ATOM 753 C VAL A 47 -3.847 -5.365 -8.339 1.00 25.23 C ATOM 754 O VAL A 47 -3.673 -6.337 -7.594 1.00 21.02 O ATOM 755 CB VAL A 47 -1.710 -4.741 -9.595 1.00 43.12 C ATOM 756 CG1 VAL A 47 -0.962 -6.026 -9.198 1.00 52.22 C ATOM 757 CG2 VAL A 47 -2.340 -4.862 -10.961 1.00 31.44 C ATOM 0 H VAL A 47 -1.781 -4.802 -6.758 1.00 2.44 H new ATOM 0 HA VAL A 47 -3.253 -3.409 -8.898 1.00 64.31 H new ATOM 0 HB VAL A 47 -0.960 -3.951 -9.640 1.00 43.12 H new ATOM 0 HG11 VAL A 47 -0.241 -6.282 -9.974 1.00 52.22 H new ATOM 0 HG12 VAL A 47 -0.439 -5.866 -8.255 1.00 52.22 H new ATOM 0 HG13 VAL A 47 -1.676 -6.842 -9.083 1.00 52.22 H new ATOM 0 HG21 VAL A 47 -1.583 -5.163 -11.685 1.00 31.44 H new ATOM 0 HG22 VAL A 47 -3.132 -5.610 -10.931 1.00 31.44 H new ATOM 0 HG23 VAL A 47 -2.761 -3.900 -11.254 1.00 31.44 H new ATOM 767 N CYS A 48 -4.967 -5.156 -8.959 1.00 32.01 N ATOM 768 CA CYS A 48 -6.054 -6.063 -8.816 1.00 5.15 C ATOM 769 C CYS A 48 -6.652 -6.393 -10.162 1.00 14.34 C ATOM 770 O CYS A 48 -7.286 -5.543 -10.781 1.00 0.04 O ATOM 771 CB CYS A 48 -7.127 -5.444 -7.935 1.00 52.43 C ATOM 772 SG CYS A 48 -8.419 -6.613 -7.440 1.00 61.13 S ATOM 0 H CYS A 48 -5.149 -4.360 -9.571 1.00 32.01 H new ATOM 0 HA CYS A 48 -5.679 -6.979 -8.359 1.00 5.15 H new ATOM 0 HB2 CYS A 48 -6.659 -5.032 -7.041 1.00 52.43 H new ATOM 0 HB3 CYS A 48 -7.586 -4.611 -8.467 1.00 52.43 H new ATOM 777 N CYS A 49 -6.422 -7.592 -10.632 1.00 33.02 N ATOM 778 CA CYS A 49 -7.024 -8.041 -11.865 1.00 53.13 C ATOM 779 C CYS A 49 -8.244 -8.896 -11.573 1.00 74.35 C ATOM 780 O CYS A 49 -8.230 -9.744 -10.679 1.00 2.11 O ATOM 781 CB CYS A 49 -6.042 -8.805 -12.774 1.00 41.04 C ATOM 782 SG CYS A 49 -4.714 -7.834 -13.625 1.00 71.13 S ATOM 0 H CYS A 49 -5.820 -8.279 -10.179 1.00 33.02 H new ATOM 0 HA CYS A 49 -7.324 -7.146 -12.411 1.00 53.13 H new ATOM 0 HB2 CYS A 49 -5.560 -9.575 -12.172 1.00 41.04 H new ATOM 0 HB3 CYS A 49 -6.625 -9.317 -13.540 1.00 41.04 H new ATOM 787 N ASP A 50 -9.293 -8.657 -12.301 1.00 64.11 N ATOM 788 CA ASP A 50 -10.506 -9.386 -12.153 1.00 14.02 C ATOM 789 C ASP A 50 -11.051 -9.721 -13.535 1.00 32.33 C ATOM 790 O ASP A 50 -11.390 -8.832 -14.313 1.00 54.52 O ATOM 791 CB ASP A 50 -11.539 -8.569 -11.391 1.00 3.01 C ATOM 792 CG ASP A 50 -12.720 -9.411 -10.962 1.00 44.50 C ATOM 793 OD1 ASP A 50 -12.635 -10.065 -9.886 1.00 42.22 O ATOM 794 OD2 ASP A 50 -13.726 -9.438 -11.682 1.00 75.21 O ATOM 0 H ASP A 50 -9.326 -7.938 -13.024 1.00 64.11 H new ATOM 0 HA ASP A 50 -10.303 -10.298 -11.591 1.00 14.02 H new ATOM 0 HB2 ASP A 50 -11.073 -8.123 -10.512 1.00 3.01 H new ATOM 0 HB3 ASP A 50 -11.887 -7.748 -12.018 1.00 3.01 H new ATOM 799 N PRO A 51 -11.114 -11.001 -13.874 1.00 34.20 N ATOM 800 CA PRO A 51 -11.643 -11.474 -15.161 1.00 32.22 C ATOM 801 C PRO A 51 -13.180 -11.463 -15.205 1.00 74.23 C ATOM 802 O PRO A 51 -13.795 -12.176 -16.024 1.00 24.25 O ATOM 803 CB PRO A 51 -11.121 -12.908 -15.236 1.00 52.43 C ATOM 804 CG PRO A 51 -11.004 -13.328 -13.817 1.00 61.05 C ATOM 805 CD PRO A 51 -10.651 -12.094 -13.039 1.00 43.21 C ATOM 0 HA PRO A 51 -11.333 -10.840 -15.991 1.00 32.22 H new ATOM 0 HB2 PRO A 51 -11.806 -13.553 -15.787 1.00 52.43 H new ATOM 0 HB3 PRO A 51 -10.159 -12.955 -15.746 1.00 52.43 H new ATOM 0 HG2 PRO A 51 -11.940 -13.758 -13.460 1.00 61.05 H new ATOM 0 HG3 PRO A 51 -10.237 -14.094 -13.700 1.00 61.05 H new ATOM 0 HD2 PRO A 51 -11.139 -12.085 -12.064 1.00 43.21 H new ATOM 0 HD3 PRO A 51 -9.578 -12.030 -12.859 1.00 43.21 H new ATOM 1207 N THR B 210 14.742 -2.465 -10.753 1.00 0.25 N ATOM 1208 CA THR B 210 13.871 -3.185 -9.832 1.00 42.31 C ATOM 1209 C THR B 210 12.532 -3.631 -10.449 1.00 1.43 C ATOM 1210 O THR B 210 11.704 -2.808 -10.842 1.00 72.13 O ATOM 1211 CB THR B 210 13.597 -2.326 -8.586 1.00 42.33 C ATOM 1212 OG1 THR B 210 14.857 -1.880 -8.040 1.00 0.24 O ATOM 1213 CG2 THR B 210 12.861 -3.136 -7.528 1.00 2.14 C ATOM 0 HA THR B 210 14.408 -4.096 -9.567 1.00 42.31 H new ATOM 0 HB THR B 210 12.979 -1.475 -8.872 1.00 42.33 H new ATOM 0 HG1 THR B 210 15.512 -1.788 -8.763 1.00 0.24 H new ATOM 0 HG21 THR B 210 12.676 -2.511 -6.654 1.00 2.14 H new ATOM 0 HG22 THR B 210 11.911 -3.484 -7.932 1.00 2.14 H new ATOM 0 HG23 THR B 210 13.468 -3.994 -7.239 1.00 2.14 H new ATOM 1221 N CYS B 211 12.333 -4.939 -10.509 1.00 2.12 N ATOM 1222 CA CYS B 211 11.081 -5.503 -10.968 1.00 33.02 C ATOM 1223 C CYS B 211 10.553 -6.411 -9.860 1.00 33.54 C ATOM 1224 O CYS B 211 11.345 -7.054 -9.159 1.00 43.32 O ATOM 1225 CB CYS B 211 11.284 -6.350 -12.246 1.00 31.42 C ATOM 1226 SG CYS B 211 12.206 -5.534 -13.628 1.00 73.14 S ATOM 0 H CYS B 211 13.032 -5.632 -10.242 1.00 2.12 H new ATOM 0 HA CYS B 211 10.385 -4.697 -11.200 1.00 33.02 H new ATOM 0 HB2 CYS B 211 11.814 -7.262 -11.972 1.00 31.42 H new ATOM 0 HB3 CYS B 211 10.304 -6.650 -12.618 1.00 31.42 H new ATOM 1231 N VAL B 212 9.255 -6.457 -9.691 1.00 0.34 N ATOM 1232 CA VAL B 212 8.623 -7.325 -8.716 1.00 50.04 C ATOM 1233 C VAL B 212 7.440 -8.045 -9.373 1.00 34.33 C ATOM 1234 O VAL B 212 6.740 -7.469 -10.201 1.00 14.11 O ATOM 1235 CB VAL B 212 8.181 -6.564 -7.404 1.00 24.13 C ATOM 1236 CG1 VAL B 212 9.394 -6.046 -6.648 1.00 21.14 C ATOM 1237 CG2 VAL B 212 7.236 -5.401 -7.710 1.00 24.23 C ATOM 0 H VAL B 212 8.598 -5.891 -10.228 1.00 0.34 H new ATOM 0 HA VAL B 212 9.362 -8.058 -8.391 1.00 50.04 H new ATOM 0 HB VAL B 212 7.647 -7.284 -6.784 1.00 24.13 H new ATOM 0 HG11 VAL B 212 9.067 -5.525 -5.748 1.00 21.14 H new ATOM 0 HG12 VAL B 212 10.034 -6.883 -6.370 1.00 21.14 H new ATOM 0 HG13 VAL B 212 9.952 -5.358 -7.283 1.00 21.14 H new ATOM 0 HG21 VAL B 212 6.957 -4.905 -6.780 1.00 24.23 H new ATOM 0 HG22 VAL B 212 7.737 -4.688 -8.365 1.00 24.23 H new ATOM 0 HG23 VAL B 212 6.340 -5.780 -8.203 1.00 24.23 H new ATOM 1247 N SER B 213 7.229 -9.285 -9.043 1.00 23.21 N ATOM 1248 CA SER B 213 6.196 -10.051 -9.699 1.00 50.24 C ATOM 1249 C SER B 213 5.480 -11.015 -8.763 1.00 4.24 C ATOM 1250 O SER B 213 6.114 -11.678 -7.938 1.00 1.54 O ATOM 1251 CB SER B 213 6.816 -10.791 -10.884 1.00 1.53 C ATOM 1252 OG SER B 213 8.046 -11.412 -10.513 1.00 53.13 O ATOM 0 H SER B 213 7.752 -9.791 -8.328 1.00 23.21 H new ATOM 0 HA SER B 213 5.428 -9.359 -10.046 1.00 50.24 H new ATOM 0 HB2 SER B 213 6.120 -11.545 -11.251 1.00 1.53 H new ATOM 0 HB3 SER B 213 6.990 -10.093 -11.703 1.00 1.53 H new ATOM 0 HG SER B 213 8.422 -11.880 -11.287 1.00 53.13 H new ATOM 1258 N LEU B 214 4.160 -11.074 -8.880 1.00 54.35 N ATOM 1259 CA LEU B 214 3.359 -12.040 -8.109 1.00 64.33 C ATOM 1260 C LEU B 214 2.484 -12.885 -8.993 1.00 32.32 C ATOM 1261 O LEU B 214 1.939 -12.410 -9.992 1.00 43.05 O ATOM 1262 CB LEU B 214 2.491 -11.388 -7.026 1.00 2.22 C ATOM 1263 CG LEU B 214 3.207 -10.827 -5.809 1.00 61.13 C ATOM 1264 CD1 LEU B 214 2.207 -10.195 -4.862 1.00 52.41 C ATOM 1265 CD2 LEU B 214 3.997 -11.914 -5.090 1.00 42.53 C ATOM 0 H LEU B 214 3.615 -10.471 -9.496 1.00 54.35 H new ATOM 0 HA LEU B 214 4.096 -12.673 -7.615 1.00 64.33 H new ATOM 0 HB2 LEU B 214 1.925 -10.579 -7.488 1.00 2.22 H new ATOM 0 HB3 LEU B 214 1.768 -12.127 -6.682 1.00 2.22 H new ATOM 0 HG LEU B 214 3.909 -10.065 -6.148 1.00 61.13 H new ATOM 0 HD11 LEU B 214 2.731 -9.796 -3.993 1.00 52.41 H new ATOM 0 HD12 LEU B 214 1.683 -9.387 -5.372 1.00 52.41 H new ATOM 0 HD13 LEU B 214 1.487 -10.947 -4.538 1.00 52.41 H new ATOM 0 HD21 LEU B 214 4.500 -11.485 -4.223 1.00 42.53 H new ATOM 0 HD22 LEU B 214 3.318 -12.701 -4.763 1.00 42.53 H new ATOM 0 HD23 LEU B 214 4.739 -12.334 -5.769 1.00 42.53 H new ATOM 1277 N THR B 215 2.343 -14.125 -8.616 1.00 75.01 N ATOM 1278 CA THR B 215 1.488 -15.045 -9.310 1.00 11.44 C ATOM 1279 C THR B 215 0.200 -15.212 -8.539 1.00 44.23 C ATOM 1280 O THR B 215 0.210 -15.481 -7.324 1.00 71.11 O ATOM 1281 CB THR B 215 2.168 -16.413 -9.582 1.00 60.31 C ATOM 1282 OG1 THR B 215 2.749 -16.936 -8.377 1.00 33.25 O ATOM 1283 CG2 THR B 215 3.231 -16.288 -10.663 1.00 21.31 C ATOM 0 H THR B 215 2.823 -14.528 -7.811 1.00 75.01 H new ATOM 0 HA THR B 215 1.271 -14.624 -10.292 1.00 11.44 H new ATOM 0 HB THR B 215 1.401 -17.104 -9.932 1.00 60.31 H new ATOM 0 HG1 THR B 215 3.172 -17.800 -8.566 1.00 33.25 H new ATOM 0 HG21 THR B 215 3.692 -17.261 -10.834 1.00 21.31 H new ATOM 0 HG22 THR B 215 2.771 -15.937 -11.587 1.00 21.31 H new ATOM 0 HG23 THR B 215 3.993 -15.577 -10.344 1.00 21.31 H new ATOM 1291 N THR B 216 -0.890 -15.030 -9.210 1.00 14.42 N ATOM 1292 CA THR B 216 -2.159 -15.066 -8.594 1.00 31.31 C ATOM 1293 C THR B 216 -3.187 -15.608 -9.580 1.00 50.45 C ATOM 1294 O THR B 216 -3.127 -15.298 -10.771 1.00 34.44 O ATOM 1295 CB THR B 216 -2.559 -13.643 -8.072 1.00 71.40 C ATOM 1296 OG1 THR B 216 -3.808 -13.687 -7.390 1.00 4.54 O ATOM 1297 CG2 THR B 216 -2.633 -12.618 -9.207 1.00 70.22 C ATOM 0 H THR B 216 -0.916 -14.850 -10.214 1.00 14.42 H new ATOM 0 HA THR B 216 -2.124 -15.730 -7.731 1.00 31.31 H new ATOM 0 HB THR B 216 -1.778 -13.330 -7.379 1.00 71.40 H new ATOM 0 HG1 THR B 216 -3.769 -13.111 -6.598 1.00 4.54 H new ATOM 0 HG21 THR B 216 -2.913 -11.646 -8.802 1.00 70.22 H new ATOM 0 HG22 THR B 216 -1.660 -12.542 -9.693 1.00 70.22 H new ATOM 0 HG23 THR B 216 -3.378 -12.936 -9.936 1.00 70.22 H new ATOM 1305 N GLN B 217 -4.097 -16.435 -9.078 1.00 63.52 N ATOM 1306 CA GLN B 217 -5.175 -17.040 -9.857 1.00 32.45 C ATOM 1307 C GLN B 217 -4.647 -18.025 -10.905 1.00 55.44 C ATOM 1308 O GLN B 217 -3.434 -18.280 -11.007 1.00 13.42 O ATOM 1309 CB GLN B 217 -6.078 -15.975 -10.505 1.00 52.43 C ATOM 1310 CG GLN B 217 -6.732 -15.044 -9.504 1.00 20.03 C ATOM 1311 CD GLN B 217 -7.578 -13.979 -10.158 1.00 42.22 C ATOM 1312 OE1 GLN B 217 -7.096 -12.914 -10.487 1.00 51.22 O ATOM 1313 NE2 GLN B 217 -8.847 -14.249 -10.325 1.00 0.31 N ATOM 0 H GLN B 217 -4.107 -16.711 -8.096 1.00 63.52 H new ATOM 0 HA GLN B 217 -5.784 -17.609 -9.154 1.00 32.45 H new ATOM 0 HB2 GLN B 217 -5.486 -15.385 -11.204 1.00 52.43 H new ATOM 0 HB3 GLN B 217 -6.854 -16.473 -11.086 1.00 52.43 H new ATOM 0 HG2 GLN B 217 -7.353 -15.628 -8.824 1.00 20.03 H new ATOM 0 HG3 GLN B 217 -5.960 -14.567 -8.900 1.00 20.03 H new ATOM 0 HE21 GLN B 217 -9.218 -15.154 -10.037 1.00 0.31 H new ATOM 0 HE22 GLN B 217 -9.465 -13.554 -10.743 1.00 0.31 H new ATOM 1322 N ARG B 218 -5.557 -18.606 -11.649 1.00 2.34 N ATOM 1323 CA ARG B 218 -5.207 -19.533 -12.694 1.00 62.31 C ATOM 1324 C ARG B 218 -6.124 -19.341 -13.888 1.00 53.54 C ATOM 1325 O ARG B 218 -6.226 -20.202 -14.755 1.00 2.41 O ATOM 1326 CB ARG B 218 -5.269 -20.974 -12.165 1.00 71.03 C ATOM 1327 CG ARG B 218 -6.628 -21.416 -11.658 1.00 44.15 C ATOM 1328 CD ARG B 218 -6.551 -22.802 -11.049 1.00 44.42 C ATOM 1329 NE ARG B 218 -6.081 -23.805 -12.012 1.00 44.30 N ATOM 1330 CZ ARG B 218 -5.790 -25.081 -11.718 1.00 11.41 C ATOM 1331 NH1 ARG B 218 -5.939 -25.540 -10.484 1.00 4.21 N ATOM 1332 NH2 ARG B 218 -5.362 -25.893 -12.665 1.00 74.25 N ATOM 0 H ARG B 218 -6.560 -18.449 -11.546 1.00 2.34 H new ATOM 0 HA ARG B 218 -4.185 -19.340 -13.020 1.00 62.31 H new ATOM 0 HB2 ARG B 218 -4.958 -21.650 -12.961 1.00 71.03 H new ATOM 0 HB3 ARG B 218 -4.545 -21.079 -11.357 1.00 71.03 H new ATOM 0 HG2 ARG B 218 -6.992 -20.707 -10.914 1.00 44.15 H new ATOM 0 HG3 ARG B 218 -7.346 -21.414 -12.479 1.00 44.15 H new ATOM 0 HD2 ARG B 218 -5.880 -22.783 -10.190 1.00 44.42 H new ATOM 0 HD3 ARG B 218 -7.535 -23.089 -10.679 1.00 44.42 H new ATOM 0 HE ARG B 218 -5.967 -23.508 -12.981 1.00 44.30 H new ATOM 0 HH11 ARG B 218 -6.278 -24.921 -9.747 1.00 4.21 H new ATOM 0 HH12 ARG B 218 -5.715 -26.512 -10.271 1.00 4.21 H new ATOM 0 HH21 ARG B 218 -5.253 -25.550 -13.620 1.00 74.25 H new ATOM 0 HH22 ARG B 218 -5.140 -26.864 -12.443 1.00 74.25 H new ATOM 1346 N LEU B 219 -6.751 -18.187 -13.945 1.00 0.21 N ATOM 1347 CA LEU B 219 -7.670 -17.877 -15.021 1.00 60.55 C ATOM 1348 C LEU B 219 -6.919 -17.174 -16.140 1.00 1.04 C ATOM 1349 O LEU B 219 -6.310 -16.135 -15.917 1.00 13.10 O ATOM 1350 CB LEU B 219 -8.888 -17.036 -14.539 1.00 65.40 C ATOM 1351 CG LEU B 219 -9.878 -17.718 -13.548 1.00 34.20 C ATOM 1352 CD1 LEU B 219 -9.250 -17.986 -12.186 1.00 3.35 C ATOM 1353 CD2 LEU B 219 -11.145 -16.899 -13.397 1.00 75.34 C ATOM 0 H LEU B 219 -6.641 -17.443 -13.256 1.00 0.21 H new ATOM 0 HA LEU B 219 -8.081 -18.814 -15.397 1.00 60.55 H new ATOM 0 HB2 LEU B 219 -8.507 -16.131 -14.066 1.00 65.40 H new ATOM 0 HB3 LEU B 219 -9.452 -16.724 -15.418 1.00 65.40 H new ATOM 0 HG LEU B 219 -10.134 -18.686 -13.979 1.00 34.20 H new ATOM 0 HD11 LEU B 219 -9.983 -18.462 -11.535 1.00 3.35 H new ATOM 0 HD12 LEU B 219 -8.389 -18.644 -12.305 1.00 3.35 H new ATOM 0 HD13 LEU B 219 -8.928 -17.044 -11.742 1.00 3.35 H new ATOM 0 HD21 LEU B 219 -11.819 -17.397 -12.700 1.00 75.34 H new ATOM 0 HD22 LEU B 219 -10.895 -15.909 -13.015 1.00 75.34 H new ATOM 0 HD23 LEU B 219 -11.633 -16.801 -14.367 1.00 75.34 H new ATOM 1365 N PRO B 220 -6.946 -17.745 -17.351 1.00 12.32 N ATOM 1366 CA PRO B 220 -6.177 -17.234 -18.486 1.00 40.02 C ATOM 1367 C PRO B 220 -6.643 -15.869 -19.019 1.00 32.45 C ATOM 1368 O PRO B 220 -7.848 -15.576 -19.112 1.00 51.12 O ATOM 1369 CB PRO B 220 -6.344 -18.318 -19.553 1.00 11.23 C ATOM 1370 CG PRO B 220 -7.631 -18.985 -19.212 1.00 33.11 C ATOM 1371 CD PRO B 220 -7.738 -18.938 -17.717 1.00 64.13 C ATOM 0 HA PRO B 220 -5.145 -17.047 -18.191 1.00 40.02 H new ATOM 0 HB2 PRO B 220 -6.373 -17.888 -20.554 1.00 11.23 H new ATOM 0 HB3 PRO B 220 -5.514 -19.024 -19.534 1.00 11.23 H new ATOM 0 HG2 PRO B 220 -8.472 -18.473 -19.680 1.00 33.11 H new ATOM 0 HG3 PRO B 220 -7.645 -20.014 -19.572 1.00 33.11 H new ATOM 0 HD2 PRO B 220 -8.774 -18.847 -17.392 1.00 64.13 H new ATOM 0 HD3 PRO B 220 -7.338 -19.842 -17.257 1.00 64.13 H new ATOM 1379 N VAL B 221 -5.665 -15.075 -19.388 1.00 25.44 N ATOM 1380 CA VAL B 221 -5.846 -13.748 -19.953 1.00 13.33 C ATOM 1381 C VAL B 221 -5.789 -13.837 -21.478 1.00 43.43 C ATOM 1382 O VAL B 221 -5.376 -14.880 -22.014 1.00 1.21 O ATOM 1383 CB VAL B 221 -4.763 -12.759 -19.439 1.00 54.15 C ATOM 1384 CG1 VAL B 221 -4.865 -12.595 -17.929 1.00 35.20 C ATOM 1385 CG2 VAL B 221 -3.369 -13.241 -19.822 1.00 74.42 C ATOM 0 H VAL B 221 -4.684 -15.340 -19.302 1.00 25.44 H new ATOM 0 HA VAL B 221 -6.818 -13.369 -19.638 1.00 13.33 H new ATOM 0 HB VAL B 221 -4.936 -11.791 -19.909 1.00 54.15 H new ATOM 0 HG11 VAL B 221 -4.099 -11.899 -17.586 1.00 35.20 H new ATOM 0 HG12 VAL B 221 -5.850 -12.207 -17.671 1.00 35.20 H new ATOM 0 HG13 VAL B 221 -4.719 -13.562 -17.447 1.00 35.20 H new ATOM 0 HG21 VAL B 221 -2.626 -12.535 -19.453 1.00 74.42 H new ATOM 0 HG22 VAL B 221 -3.189 -14.221 -19.381 1.00 74.42 H new ATOM 0 HG23 VAL B 221 -3.294 -13.313 -20.907 1.00 74.42 H new ATOM 1395 N SER B 222 -6.229 -12.789 -22.174 1.00 20.33 N ATOM 1396 CA SER B 222 -6.242 -12.792 -23.635 1.00 62.24 C ATOM 1397 C SER B 222 -4.817 -13.011 -24.208 1.00 4.10 C ATOM 1398 O SER B 222 -4.632 -13.805 -25.147 1.00 13.53 O ATOM 1399 CB SER B 222 -6.888 -11.502 -24.185 1.00 4.30 C ATOM 1400 OG SER B 222 -6.984 -11.522 -25.608 1.00 31.04 O ATOM 0 H SER B 222 -6.580 -11.930 -21.751 1.00 20.33 H new ATOM 0 HA SER B 222 -6.855 -13.631 -23.965 1.00 62.24 H new ATOM 0 HB2 SER B 222 -7.883 -11.382 -23.755 1.00 4.30 H new ATOM 0 HB3 SER B 222 -6.300 -10.639 -23.873 1.00 4.30 H new ATOM 0 HG SER B 222 -7.399 -10.691 -25.920 1.00 31.04 H new ATOM 1406 N ARG B 223 -3.828 -12.323 -23.645 1.00 73.43 N ATOM 1407 CA ARG B 223 -2.428 -12.512 -24.032 1.00 74.31 C ATOM 1408 C ARG B 223 -1.534 -11.945 -22.944 1.00 1.42 C ATOM 1409 O ARG B 223 -2.027 -11.453 -21.939 1.00 33.32 O ATOM 1410 CB ARG B 223 -2.097 -11.803 -25.364 1.00 72.33 C ATOM 1411 CG ARG B 223 -2.139 -10.284 -25.295 1.00 13.34 C ATOM 1412 CD ARG B 223 -1.716 -9.658 -26.607 1.00 40.00 C ATOM 1413 NE ARG B 223 -2.647 -9.962 -27.698 1.00 63.35 N ATOM 1414 CZ ARG B 223 -2.331 -9.980 -28.997 1.00 71.24 C ATOM 1415 NH1 ARG B 223 -1.074 -9.780 -29.389 1.00 4.00 N ATOM 1416 NH2 ARG B 223 -3.275 -10.202 -29.904 1.00 1.13 N ATOM 0 H ARG B 223 -3.969 -11.625 -22.915 1.00 73.43 H new ATOM 0 HA ARG B 223 -2.258 -13.581 -24.164 1.00 74.31 H new ATOM 0 HB2 ARG B 223 -1.104 -12.112 -25.689 1.00 72.33 H new ATOM 0 HB3 ARG B 223 -2.801 -12.140 -26.125 1.00 72.33 H new ATOM 0 HG2 ARG B 223 -3.148 -9.958 -25.043 1.00 13.34 H new ATOM 0 HG3 ARG B 223 -1.483 -9.937 -24.497 1.00 13.34 H new ATOM 0 HD2 ARG B 223 -1.645 -8.577 -26.484 1.00 40.00 H new ATOM 0 HD3 ARG B 223 -0.721 -10.015 -26.872 1.00 40.00 H new ATOM 0 HE ARG B 223 -3.612 -10.177 -27.446 1.00 63.35 H new ATOM 0 HH11 ARG B 223 -0.344 -9.612 -28.696 1.00 4.00 H new ATOM 0 HH12 ARG B 223 -0.841 -9.795 -30.382 1.00 4.00 H new ATOM 0 HH21 ARG B 223 -4.239 -10.358 -29.609 1.00 1.13 H new ATOM 0 HH22 ARG B 223 -3.036 -10.216 -30.896 1.00 1.13 H new ATOM 1430 N ILE B 224 -0.243 -12.012 -23.133 1.00 14.05 N ATOM 1431 CA ILE B 224 0.694 -11.381 -22.229 1.00 73.32 C ATOM 1432 C ILE B 224 0.989 -10.029 -22.849 1.00 61.15 C ATOM 1433 O ILE B 224 1.364 -9.962 -24.013 1.00 41.52 O ATOM 1434 CB ILE B 224 2.032 -12.183 -22.136 1.00 13.54 C ATOM 1435 CG1 ILE B 224 1.783 -13.692 -21.880 1.00 21.42 C ATOM 1436 CG2 ILE B 224 2.943 -11.599 -21.055 1.00 72.12 C ATOM 1437 CD1 ILE B 224 1.050 -14.023 -20.615 1.00 74.12 C ATOM 0 H ILE B 224 0.192 -12.503 -23.914 1.00 14.05 H new ATOM 0 HA ILE B 224 0.278 -11.321 -21.223 1.00 73.32 H new ATOM 0 HB ILE B 224 2.532 -12.090 -23.100 1.00 13.54 H new ATOM 0 HG12 ILE B 224 1.220 -14.097 -22.721 1.00 21.42 H new ATOM 0 HG13 ILE B 224 2.746 -14.203 -21.865 1.00 21.42 H new ATOM 0 HG21 ILE B 224 3.868 -12.174 -21.009 1.00 72.12 H new ATOM 0 HG22 ILE B 224 3.173 -10.561 -21.295 1.00 72.12 H new ATOM 0 HG23 ILE B 224 2.439 -11.646 -20.090 1.00 72.12 H new ATOM 0 HD11 ILE B 224 0.930 -15.104 -20.536 1.00 74.12 H new ATOM 0 HD12 ILE B 224 1.618 -13.657 -19.759 1.00 74.12 H new ATOM 0 HD13 ILE B 224 0.068 -13.549 -20.629 1.00 74.12 H new ATOM 1449 N LYS B 225 0.791 -8.968 -22.117 1.00 32.15 N ATOM 1450 CA LYS B 225 1.007 -7.653 -22.672 1.00 33.11 C ATOM 1451 C LYS B 225 1.689 -6.794 -21.646 1.00 4.44 C ATOM 1452 O LYS B 225 1.558 -7.054 -20.437 1.00 13.54 O ATOM 1453 CB LYS B 225 -0.314 -6.943 -23.174 1.00 62.21 C ATOM 1454 CG LYS B 225 -1.281 -6.380 -22.105 1.00 54.21 C ATOM 1455 CD LYS B 225 -2.413 -7.318 -21.659 1.00 73.14 C ATOM 1456 CE LYS B 225 -1.924 -8.584 -21.044 1.00 54.12 C ATOM 1457 NZ LYS B 225 -3.014 -9.418 -20.501 1.00 11.25 N ATOM 0 H LYS B 225 0.484 -8.982 -21.145 1.00 32.15 H new ATOM 0 HA LYS B 225 1.632 -7.782 -23.555 1.00 33.11 H new ATOM 0 HB2 LYS B 225 -0.025 -6.122 -23.830 1.00 62.21 H new ATOM 0 HB3 LYS B 225 -0.867 -7.657 -23.783 1.00 62.21 H new ATOM 0 HG2 LYS B 225 -0.698 -6.103 -21.226 1.00 54.21 H new ATOM 0 HG3 LYS B 225 -1.727 -5.464 -22.493 1.00 54.21 H new ATOM 0 HD2 LYS B 225 -3.047 -6.796 -20.942 1.00 73.14 H new ATOM 0 HD3 LYS B 225 -3.037 -7.558 -22.520 1.00 73.14 H new ATOM 0 HE2 LYS B 225 -1.374 -9.156 -21.791 1.00 54.12 H new ATOM 0 HE3 LYS B 225 -1.223 -8.346 -20.244 1.00 54.12 H new ATOM 0 HZ1 LYS B 225 -2.609 -10.215 -19.969 1.00 11.25 H new ATOM 0 HZ2 LYS B 225 -3.608 -8.845 -19.868 1.00 11.25 H new ATOM 0 HZ3 LYS B 225 -3.594 -9.783 -21.283 1.00 11.25 H new ATOM 1471 N THR B 226 2.402 -5.791 -22.110 1.00 75.12 N ATOM 1472 CA THR B 226 3.106 -4.885 -21.244 1.00 10.22 C ATOM 1473 C THR B 226 2.570 -3.472 -21.328 1.00 71.24 C ATOM 1474 O THR B 226 2.366 -2.934 -22.420 1.00 21.43 O ATOM 1475 CB THR B 226 4.625 -4.879 -21.516 1.00 43.21 C ATOM 1476 OG1 THR B 226 4.884 -4.782 -22.930 1.00 2.42 O ATOM 1477 CG2 THR B 226 5.302 -6.100 -20.931 1.00 65.52 C ATOM 0 H THR B 226 2.507 -5.584 -23.103 1.00 75.12 H new ATOM 0 HA THR B 226 2.936 -5.257 -20.234 1.00 10.22 H new ATOM 0 HB THR B 226 5.046 -4.003 -21.023 1.00 43.21 H new ATOM 0 HG1 THR B 226 5.852 -4.778 -23.086 1.00 2.42 H new ATOM 0 HG21 THR B 226 6.370 -6.060 -21.143 1.00 65.52 H new ATOM 0 HG22 THR B 226 5.146 -6.120 -19.852 1.00 65.52 H new ATOM 0 HG23 THR B 226 4.877 -7.000 -21.376 1.00 65.52 H new ATOM 1485 N TYR B 227 2.317 -2.895 -20.184 1.00 4.23 N ATOM 1486 CA TYR B 227 1.899 -1.515 -20.086 1.00 71.42 C ATOM 1487 C TYR B 227 2.992 -0.698 -19.499 1.00 54.40 C ATOM 1488 O TYR B 227 3.645 -1.130 -18.555 1.00 5.23 O ATOM 1489 CB TYR B 227 0.619 -1.367 -19.252 1.00 24.11 C ATOM 1490 CG TYR B 227 -0.581 -1.927 -19.947 1.00 42.00 C ATOM 1491 CD1 TYR B 227 -1.237 -1.186 -20.914 1.00 62.52 C ATOM 1492 CD2 TYR B 227 -1.046 -3.195 -19.666 1.00 42.13 C ATOM 1493 CE1 TYR B 227 -2.320 -1.695 -21.587 1.00 32.14 C ATOM 1494 CE2 TYR B 227 -2.134 -3.710 -20.330 1.00 44.23 C ATOM 1495 CZ TYR B 227 -2.766 -2.958 -21.292 1.00 51.03 C ATOM 1496 OH TYR B 227 -3.839 -3.484 -21.975 1.00 64.43 O ATOM 0 H TYR B 227 2.395 -3.370 -19.285 1.00 4.23 H new ATOM 0 HA TYR B 227 1.678 -1.159 -21.092 1.00 71.42 H new ATOM 0 HB2 TYR B 227 0.751 -1.873 -18.296 1.00 24.11 H new ATOM 0 HB3 TYR B 227 0.450 -0.312 -19.034 1.00 24.11 H new ATOM 0 HD1 TYR B 227 -0.891 -0.189 -21.144 1.00 62.52 H new ATOM 0 HD2 TYR B 227 -0.549 -3.791 -18.915 1.00 42.13 H new ATOM 0 HE1 TYR B 227 -2.817 -1.105 -22.343 1.00 32.14 H new ATOM 0 HE2 TYR B 227 -2.491 -4.702 -20.097 1.00 44.23 H new ATOM 0 HH TYR B 227 -4.026 -4.388 -21.645 1.00 64.43 H new ATOM 1506 N THR B 228 3.217 0.450 -20.058 1.00 2.23 N ATOM 1507 CA THR B 228 4.204 1.325 -19.547 1.00 14.40 C ATOM 1508 C THR B 228 3.604 2.520 -18.881 1.00 10.23 C ATOM 1509 O THR B 228 2.763 3.219 -19.444 1.00 75.34 O ATOM 1510 CB THR B 228 5.237 1.759 -20.602 1.00 32.44 C ATOM 1511 OG1 THR B 228 4.587 2.062 -21.854 1.00 3.41 O ATOM 1512 CG2 THR B 228 6.315 0.712 -20.781 1.00 52.21 C ATOM 0 H THR B 228 2.720 0.798 -20.878 1.00 2.23 H new ATOM 0 HA THR B 228 4.740 0.745 -18.795 1.00 14.40 H new ATOM 0 HB THR B 228 5.724 2.667 -20.245 1.00 32.44 H new ATOM 0 HG1 THR B 228 5.258 2.338 -22.513 1.00 3.41 H new ATOM 0 HG21 THR B 228 7.029 1.049 -21.533 1.00 52.21 H new ATOM 0 HG22 THR B 228 6.832 0.556 -19.834 1.00 52.21 H new ATOM 0 HG23 THR B 228 5.862 -0.225 -21.105 1.00 52.21 H new ATOM 1520 N ILE B 229 4.015 2.727 -17.682 1.00 43.25 N ATOM 1521 CA ILE B 229 3.608 3.858 -16.933 1.00 54.01 C ATOM 1522 C ILE B 229 4.739 4.827 -16.967 1.00 33.31 C ATOM 1523 O ILE B 229 5.866 4.467 -16.754 1.00 51.35 O ATOM 1524 CB ILE B 229 3.266 3.486 -15.462 1.00 21.00 C ATOM 1525 CG1 ILE B 229 2.101 2.490 -15.443 1.00 1.54 C ATOM 1526 CG2 ILE B 229 2.916 4.743 -14.654 1.00 14.41 C ATOM 1527 CD1 ILE B 229 1.770 1.913 -14.103 1.00 14.02 C ATOM 0 H ILE B 229 4.654 2.105 -17.187 1.00 43.25 H new ATOM 0 HA ILE B 229 2.702 4.283 -17.365 1.00 54.01 H new ATOM 0 HB ILE B 229 4.138 3.022 -15.000 1.00 21.00 H new ATOM 0 HG12 ILE B 229 1.214 2.988 -15.834 1.00 1.54 H new ATOM 0 HG13 ILE B 229 2.334 1.672 -16.124 1.00 1.54 H new ATOM 0 HG21 ILE B 229 2.680 4.462 -13.628 1.00 14.41 H new ATOM 0 HG22 ILE B 229 3.766 5.426 -14.657 1.00 14.41 H new ATOM 0 HG23 ILE B 229 2.053 5.236 -15.103 1.00 14.41 H new ATOM 0 HD11 ILE B 229 0.933 1.222 -14.201 1.00 14.02 H new ATOM 0 HD12 ILE B 229 2.637 1.380 -13.712 1.00 14.02 H new ATOM 0 HD13 ILE B 229 1.499 2.716 -13.418 1.00 14.02 H new ATOM 1539 N THR B 230 4.443 5.994 -17.294 1.00 13.10 N ATOM 1540 CA THR B 230 5.401 7.044 -17.374 1.00 43.12 C ATOM 1541 C THR B 230 4.850 8.249 -16.687 1.00 40.41 C ATOM 1542 O THR B 230 4.110 9.039 -17.287 1.00 52.13 O ATOM 1543 CB THR B 230 5.823 7.372 -18.844 1.00 51.42 C ATOM 1544 OG1 THR B 230 4.659 7.569 -19.671 1.00 34.32 O ATOM 1545 CG2 THR B 230 6.686 6.268 -19.435 1.00 64.01 C ATOM 0 H THR B 230 3.494 6.285 -17.529 1.00 13.10 H new ATOM 0 HA THR B 230 6.312 6.714 -16.875 1.00 43.12 H new ATOM 0 HB THR B 230 6.409 8.291 -18.818 1.00 51.42 H new ATOM 0 HG1 THR B 230 4.022 8.150 -19.206 1.00 34.32 H new ATOM 0 HG21 THR B 230 6.961 6.529 -20.457 1.00 64.01 H new ATOM 0 HG22 THR B 230 7.588 6.151 -18.835 1.00 64.01 H new ATOM 0 HG23 THR B 230 6.128 5.332 -19.437 1.00 64.01 H new ATOM 1553 N GLU B 231 5.134 8.376 -15.424 1.00 13.11 N ATOM 1554 CA GLU B 231 4.585 9.451 -14.693 1.00 14.31 C ATOM 1555 C GLU B 231 5.682 10.208 -13.975 1.00 51.21 C ATOM 1556 O GLU B 231 6.499 9.612 -13.297 1.00 74.34 O ATOM 1557 CB GLU B 231 3.408 8.956 -13.788 1.00 12.34 C ATOM 1558 CG GLU B 231 3.709 8.203 -12.477 1.00 43.13 C ATOM 1559 CD GLU B 231 4.143 9.155 -11.358 1.00 51.41 C ATOM 1560 OE1 GLU B 231 3.361 10.095 -11.054 1.00 51.20 O ATOM 1561 OE2 GLU B 231 5.210 8.981 -10.780 1.00 73.33 O ATOM 0 H GLU B 231 5.738 7.749 -14.893 1.00 13.11 H new ATOM 0 HA GLU B 231 4.130 10.178 -15.365 1.00 14.31 H new ATOM 0 HB2 GLU B 231 2.808 9.829 -13.530 1.00 12.34 H new ATOM 0 HB3 GLU B 231 2.781 8.307 -14.398 1.00 12.34 H new ATOM 0 HG2 GLU B 231 2.822 7.653 -12.162 1.00 43.13 H new ATOM 0 HG3 GLU B 231 4.494 7.468 -12.653 1.00 43.13 H new ATOM 1568 N GLY B 232 5.736 11.509 -14.195 1.00 11.31 N ATOM 1569 CA GLY B 232 6.760 12.337 -13.582 1.00 22.10 C ATOM 1570 C GLY B 232 8.137 12.029 -14.142 1.00 54.34 C ATOM 1571 O GLY B 232 8.565 12.623 -15.130 1.00 4.15 O ATOM 0 H GLY B 232 5.083 12.015 -14.793 1.00 11.31 H new ATOM 0 HA2 GLY B 232 6.526 13.389 -13.748 1.00 22.10 H new ATOM 0 HA3 GLY B 232 6.761 12.177 -12.504 1.00 22.10 H new ATOM 1575 N SER B 233 8.809 11.097 -13.522 1.00 31.11 N ATOM 1576 CA SER B 233 10.119 10.642 -13.944 1.00 30.53 C ATOM 1577 C SER B 233 10.187 9.129 -13.743 1.00 60.35 C ATOM 1578 O SER B 233 11.253 8.524 -13.752 1.00 61.42 O ATOM 1579 CB SER B 233 11.184 11.322 -13.093 1.00 12.23 C ATOM 1580 OG SER B 233 11.062 12.737 -13.164 1.00 42.13 O ATOM 0 H SER B 233 8.459 10.619 -12.692 1.00 31.11 H new ATOM 0 HA SER B 233 10.290 10.888 -14.992 1.00 30.53 H new ATOM 0 HB2 SER B 233 11.090 10.996 -12.057 1.00 12.23 H new ATOM 0 HB3 SER B 233 12.175 11.021 -13.434 1.00 12.23 H new ATOM 0 HG SER B 233 11.754 13.153 -12.609 1.00 42.13 H new ATOM 1586 N LEU B 234 9.037 8.531 -13.638 1.00 41.13 N ATOM 1587 CA LEU B 234 8.909 7.144 -13.300 1.00 44.11 C ATOM 1588 C LEU B 234 8.404 6.353 -14.496 1.00 14.25 C ATOM 1589 O LEU B 234 7.385 6.688 -15.087 1.00 11.13 O ATOM 1590 CB LEU B 234 7.938 7.060 -12.063 1.00 50.00 C ATOM 1591 CG LEU B 234 7.523 5.688 -11.452 1.00 10.04 C ATOM 1592 CD1 LEU B 234 6.578 4.899 -12.359 1.00 72.11 C ATOM 1593 CD2 LEU B 234 8.742 4.864 -11.087 1.00 43.54 C ATOM 0 H LEU B 234 8.145 9.002 -13.788 1.00 41.13 H new ATOM 0 HA LEU B 234 9.870 6.703 -13.035 1.00 44.11 H new ATOM 0 HB2 LEU B 234 8.394 7.640 -11.261 1.00 50.00 H new ATOM 0 HB3 LEU B 234 7.019 7.574 -12.345 1.00 50.00 H new ATOM 0 HG LEU B 234 6.969 5.907 -10.540 1.00 10.04 H new ATOM 0 HD11 LEU B 234 6.322 3.952 -11.883 1.00 72.11 H new ATOM 0 HD12 LEU B 234 5.669 5.477 -12.529 1.00 72.11 H new ATOM 0 HD13 LEU B 234 7.068 4.704 -13.313 1.00 72.11 H new ATOM 0 HD21 LEU B 234 8.424 3.912 -10.663 1.00 43.54 H new ATOM 0 HD22 LEU B 234 9.339 4.682 -11.981 1.00 43.54 H new ATOM 0 HD23 LEU B 234 9.341 5.405 -10.355 1.00 43.54 H new ATOM 1605 N ARG B 235 9.149 5.320 -14.853 1.00 21.41 N ATOM 1606 CA ARG B 235 8.748 4.393 -15.902 1.00 13.01 C ATOM 1607 C ARG B 235 8.319 3.125 -15.266 1.00 50.24 C ATOM 1608 O ARG B 235 8.872 2.736 -14.285 1.00 64.43 O ATOM 1609 CB ARG B 235 9.882 4.074 -16.888 1.00 61.02 C ATOM 1610 CG ARG B 235 10.227 5.167 -17.867 1.00 13.32 C ATOM 1611 CD ARG B 235 11.241 4.660 -18.878 1.00 64.24 C ATOM 1612 NE ARG B 235 11.392 5.579 -20.002 1.00 43.52 N ATOM 1613 CZ ARG B 235 11.929 5.261 -21.190 1.00 12.43 C ATOM 1614 NH1 ARG B 235 12.512 4.077 -21.386 1.00 63.45 N ATOM 1615 NH2 ARG B 235 11.892 6.135 -22.171 1.00 50.12 N ATOM 0 H ARG B 235 10.048 5.099 -14.425 1.00 21.41 H new ATOM 0 HA ARG B 235 7.944 4.867 -16.466 1.00 13.01 H new ATOM 0 HB2 ARG B 235 10.777 3.829 -16.316 1.00 61.02 H new ATOM 0 HB3 ARG B 235 9.608 3.181 -17.451 1.00 61.02 H new ATOM 0 HG2 ARG B 235 9.326 5.504 -18.381 1.00 13.32 H new ATOM 0 HG3 ARG B 235 10.631 6.028 -17.335 1.00 13.32 H new ATOM 0 HD2 ARG B 235 12.205 4.523 -18.388 1.00 64.24 H new ATOM 0 HD3 ARG B 235 10.929 3.683 -19.247 1.00 64.24 H new ATOM 0 HE ARG B 235 11.064 6.536 -19.875 1.00 43.52 H new ATOM 0 HH11 ARG B 235 12.554 3.397 -20.627 1.00 63.45 H new ATOM 0 HH12 ARG B 235 12.915 3.851 -22.295 1.00 63.45 H new ATOM 0 HH21 ARG B 235 11.458 7.046 -22.026 1.00 50.12 H new ATOM 0 HH22 ARG B 235 12.298 5.902 -23.077 1.00 50.12 H new ATOM 1629 N CYS B 236 7.324 2.510 -15.768 1.00 32.21 N ATOM 1630 CA CYS B 236 6.939 1.256 -15.238 1.00 44.11 C ATOM 1631 C CYS B 236 6.555 0.344 -16.359 1.00 5.12 C ATOM 1632 O CYS B 236 6.048 0.806 -17.363 1.00 44.42 O ATOM 1633 CB CYS B 236 5.798 1.402 -14.271 1.00 63.21 C ATOM 1634 SG CYS B 236 5.757 0.031 -13.057 1.00 62.21 S ATOM 0 H CYS B 236 6.757 2.849 -16.545 1.00 32.21 H new ATOM 0 HA CYS B 236 7.782 0.832 -14.693 1.00 44.11 H new ATOM 0 HB2 CYS B 236 5.887 2.352 -13.744 1.00 63.21 H new ATOM 0 HB3 CYS B 236 4.857 1.430 -14.820 1.00 63.21 H new ATOM 1639 N VAL B 237 6.810 -0.931 -16.206 1.00 51.15 N ATOM 1640 CA VAL B 237 6.474 -1.906 -17.210 1.00 22.04 C ATOM 1641 C VAL B 237 5.696 -3.004 -16.533 1.00 73.45 C ATOM 1642 O VAL B 237 6.150 -3.562 -15.533 1.00 1.55 O ATOM 1643 CB VAL B 237 7.735 -2.509 -17.872 1.00 74.42 C ATOM 1644 CG1 VAL B 237 7.354 -3.400 -19.039 1.00 12.54 C ATOM 1645 CG2 VAL B 237 8.698 -1.413 -18.304 1.00 43.20 C ATOM 0 H VAL B 237 7.258 -1.322 -15.378 1.00 51.15 H new ATOM 0 HA VAL B 237 5.892 -1.424 -17.996 1.00 22.04 H new ATOM 0 HB VAL B 237 8.247 -3.126 -17.134 1.00 74.42 H new ATOM 0 HG11 VAL B 237 8.256 -3.814 -19.490 1.00 12.54 H new ATOM 0 HG12 VAL B 237 6.720 -4.213 -18.684 1.00 12.54 H new ATOM 0 HG13 VAL B 237 6.812 -2.815 -19.782 1.00 12.54 H new ATOM 0 HG21 VAL B 237 9.577 -1.862 -18.767 1.00 43.20 H new ATOM 0 HG22 VAL B 237 8.205 -0.758 -19.022 1.00 43.20 H new ATOM 0 HG23 VAL B 237 9.003 -0.833 -17.433 1.00 43.20 H new ATOM 1655 N ILE B 238 4.538 -3.289 -17.037 1.00 45.52 N ATOM 1656 CA ILE B 238 3.671 -4.263 -16.426 1.00 3.24 C ATOM 1657 C ILE B 238 3.439 -5.430 -17.356 1.00 73.34 C ATOM 1658 O ILE B 238 2.894 -5.263 -18.429 1.00 10.24 O ATOM 1659 CB ILE B 238 2.307 -3.623 -16.119 1.00 32.41 C ATOM 1660 CG1 ILE B 238 2.497 -2.369 -15.281 1.00 2.41 C ATOM 1661 CG2 ILE B 238 1.394 -4.619 -15.391 1.00 53.44 C ATOM 1662 CD1 ILE B 238 1.234 -1.602 -15.088 1.00 43.11 C ATOM 0 H ILE B 238 4.161 -2.858 -17.881 1.00 45.52 H new ATOM 0 HA ILE B 238 4.149 -4.611 -15.510 1.00 3.24 H new ATOM 0 HB ILE B 238 1.831 -3.349 -17.061 1.00 32.41 H new ATOM 0 HG12 ILE B 238 2.900 -2.647 -14.307 1.00 2.41 H new ATOM 0 HG13 ILE B 238 3.236 -1.727 -15.760 1.00 2.41 H new ATOM 0 HG21 ILE B 238 0.434 -4.147 -15.183 1.00 53.44 H new ATOM 0 HG22 ILE B 238 1.239 -5.496 -16.019 1.00 53.44 H new ATOM 0 HG23 ILE B 238 1.860 -4.922 -14.454 1.00 53.44 H new ATOM 0 HD11 ILE B 238 1.434 -0.718 -14.482 1.00 43.11 H new ATOM 0 HD12 ILE B 238 0.842 -1.296 -16.058 1.00 43.11 H new ATOM 0 HD13 ILE B 238 0.501 -2.230 -14.582 1.00 43.11 H new ATOM 1674 N PHE B 239 3.844 -6.583 -16.925 1.00 4.53 N ATOM 1675 CA PHE B 239 3.638 -7.819 -17.623 1.00 44.31 C ATOM 1676 C PHE B 239 2.439 -8.518 -17.033 1.00 65.14 C ATOM 1677 O PHE B 239 2.511 -9.022 -15.905 1.00 61.11 O ATOM 1678 CB PHE B 239 4.845 -8.735 -17.454 1.00 60.32 C ATOM 1679 CG PHE B 239 6.069 -8.342 -18.195 1.00 34.43 C ATOM 1680 CD1 PHE B 239 6.907 -7.345 -17.722 1.00 52.33 C ATOM 1681 CD2 PHE B 239 6.393 -8.992 -19.370 1.00 22.10 C ATOM 1682 CE1 PHE B 239 8.052 -7.005 -18.422 1.00 75.23 C ATOM 1683 CE2 PHE B 239 7.523 -8.664 -20.072 1.00 34.23 C ATOM 1684 CZ PHE B 239 8.362 -7.665 -19.601 1.00 12.53 C ATOM 0 H PHE B 239 4.346 -6.697 -16.045 1.00 4.53 H new ATOM 0 HA PHE B 239 3.488 -7.602 -18.681 1.00 44.31 H new ATOM 0 HB2 PHE B 239 5.089 -8.790 -16.393 1.00 60.32 H new ATOM 0 HB3 PHE B 239 4.561 -9.739 -17.768 1.00 60.32 H new ATOM 0 HD1 PHE B 239 6.666 -6.831 -16.803 1.00 52.33 H new ATOM 0 HD2 PHE B 239 5.745 -9.772 -19.742 1.00 22.10 H new ATOM 0 HE1 PHE B 239 8.702 -6.227 -18.050 1.00 75.23 H new ATOM 0 HE2 PHE B 239 7.760 -9.182 -20.990 1.00 34.23 H new ATOM 0 HZ PHE B 239 9.254 -7.402 -20.151 1.00 12.53 H new ATOM 1694 N ILE B 240 1.336 -8.535 -17.733 1.00 60.11 N ATOM 1695 CA ILE B 240 0.178 -9.236 -17.206 1.00 71.14 C ATOM 1696 C ILE B 240 0.204 -10.599 -17.809 1.00 51.15 C ATOM 1697 O ILE B 240 0.107 -10.726 -19.042 1.00 31.52 O ATOM 1698 CB ILE B 240 -1.152 -8.603 -17.640 1.00 64.13 C ATOM 1699 CG1 ILE B 240 -1.039 -7.096 -17.714 1.00 62.45 C ATOM 1700 CG2 ILE B 240 -2.282 -9.028 -16.700 1.00 75.10 C ATOM 1701 CD1 ILE B 240 -2.331 -6.388 -18.026 1.00 70.21 C ATOM 0 H ILE B 240 1.207 -8.089 -18.641 1.00 60.11 H new ATOM 0 HA ILE B 240 0.231 -9.216 -16.117 1.00 71.14 H new ATOM 0 HB ILE B 240 -1.391 -8.964 -18.640 1.00 64.13 H new ATOM 0 HG12 ILE B 240 -0.657 -6.726 -16.763 1.00 62.45 H new ATOM 0 HG13 ILE B 240 -0.304 -6.836 -18.476 1.00 62.45 H new ATOM 0 HG21 ILE B 240 -3.216 -8.569 -17.024 1.00 75.10 H new ATOM 0 HG22 ILE B 240 -2.384 -10.113 -16.721 1.00 75.10 H new ATOM 0 HG23 ILE B 240 -2.052 -8.705 -15.685 1.00 75.10 H new ATOM 0 HD11 ILE B 240 -2.158 -5.312 -18.060 1.00 70.21 H new ATOM 0 HD12 ILE B 240 -2.707 -6.725 -18.992 1.00 70.21 H new ATOM 0 HD13 ILE B 240 -3.065 -6.613 -17.252 1.00 70.21 H new ATOM 1713 N THR B 241 0.321 -11.601 -17.007 1.00 22.21 N ATOM 1714 CA THR B 241 0.390 -12.912 -17.534 1.00 45.21 C ATOM 1715 C THR B 241 -0.870 -13.678 -17.203 1.00 65.11 C ATOM 1716 O THR B 241 -1.730 -13.183 -16.483 1.00 34.41 O ATOM 1717 CB THR B 241 1.644 -13.690 -17.055 1.00 51.13 C ATOM 1718 OG1 THR B 241 1.579 -13.920 -15.640 1.00 44.14 O ATOM 1719 CG2 THR B 241 2.917 -12.913 -17.369 1.00 32.54 C ATOM 0 H THR B 241 0.370 -11.535 -15.990 1.00 22.21 H new ATOM 0 HA THR B 241 0.479 -12.814 -18.616 1.00 45.21 H new ATOM 0 HB THR B 241 1.664 -14.643 -17.583 1.00 51.13 H new ATOM 0 HG1 THR B 241 0.979 -13.263 -15.229 1.00 44.14 H new ATOM 0 HG21 THR B 241 3.783 -13.478 -17.024 1.00 32.54 H new ATOM 0 HG22 THR B 241 2.991 -12.756 -18.445 1.00 32.54 H new ATOM 0 HG23 THR B 241 2.888 -11.948 -16.863 1.00 32.54 H new ATOM 1727 N LYS B 242 -0.963 -14.875 -17.718 1.00 14.11 N ATOM 1728 CA LYS B 242 -2.133 -15.722 -17.534 1.00 14.23 C ATOM 1729 C LYS B 242 -2.280 -16.324 -16.122 1.00 62.22 C ATOM 1730 O LYS B 242 -3.245 -17.028 -15.854 1.00 12.52 O ATOM 1731 CB LYS B 242 -2.251 -16.764 -18.685 1.00 14.32 C ATOM 1732 CG LYS B 242 -0.949 -17.503 -19.036 1.00 42.24 C ATOM 1733 CD LYS B 242 -0.454 -18.415 -17.929 1.00 21.44 C ATOM 1734 CE LYS B 242 -1.355 -19.636 -17.749 1.00 3.20 C ATOM 1735 NZ LYS B 242 -1.408 -20.478 -18.968 1.00 34.10 N ATOM 0 H LYS B 242 -0.229 -15.302 -18.283 1.00 14.11 H new ATOM 0 HA LYS B 242 -3.001 -15.066 -17.603 1.00 14.23 H new ATOM 0 HB2 LYS B 242 -3.005 -17.501 -18.410 1.00 14.32 H new ATOM 0 HB3 LYS B 242 -2.613 -16.255 -19.578 1.00 14.32 H new ATOM 0 HG2 LYS B 242 -1.107 -18.093 -19.939 1.00 42.24 H new ATOM 0 HG3 LYS B 242 -0.175 -16.770 -19.266 1.00 42.24 H new ATOM 0 HD2 LYS B 242 0.560 -18.743 -18.156 1.00 21.44 H new ATOM 0 HD3 LYS B 242 -0.407 -17.858 -16.993 1.00 21.44 H new ATOM 0 HE2 LYS B 242 -0.992 -20.233 -16.913 1.00 3.20 H new ATOM 0 HE3 LYS B 242 -2.362 -19.307 -17.492 1.00 3.20 H new ATOM 0 HZ1 LYS B 242 -1.780 -21.418 -18.725 1.00 34.10 H new ATOM 0 HZ2 LYS B 242 -2.030 -20.031 -19.672 1.00 34.10 H new ATOM 0 HZ3 LYS B 242 -0.451 -20.576 -19.364 1.00 34.10 H new ATOM 1749 N ARG B 243 -1.311 -16.054 -15.238 1.00 51.44 N ATOM 1750 CA ARG B 243 -1.408 -16.468 -13.829 1.00 11.10 C ATOM 1751 C ARG B 243 -0.755 -15.476 -12.896 1.00 11.21 C ATOM 1752 O ARG B 243 -0.341 -15.838 -11.798 1.00 74.21 O ATOM 1753 CB ARG B 243 -0.819 -17.849 -13.550 1.00 22.34 C ATOM 1754 CG ARG B 243 -1.554 -18.992 -14.184 1.00 22.11 C ATOM 1755 CD ARG B 243 -1.224 -20.272 -13.479 1.00 4.31 C ATOM 1756 NE ARG B 243 -1.714 -20.243 -12.087 1.00 24.10 N ATOM 1757 CZ ARG B 243 -1.708 -21.272 -11.236 1.00 73.33 C ATOM 1758 NH1 ARG B 243 -1.272 -22.461 -11.625 1.00 25.01 N ATOM 1759 NH2 ARG B 243 -2.161 -21.107 -9.997 1.00 23.31 N ATOM 0 H ARG B 243 -0.454 -15.553 -15.470 1.00 51.44 H new ATOM 0 HA ARG B 243 -2.480 -16.509 -13.639 1.00 11.10 H new ATOM 0 HB2 ARG B 243 0.214 -17.864 -13.898 1.00 22.34 H new ATOM 0 HB3 ARG B 243 -0.795 -18.006 -12.472 1.00 22.34 H new ATOM 0 HG2 ARG B 243 -2.628 -18.811 -14.142 1.00 22.11 H new ATOM 0 HG3 ARG B 243 -1.284 -19.068 -15.237 1.00 22.11 H new ATOM 0 HD2 ARG B 243 -1.673 -21.111 -14.010 1.00 4.31 H new ATOM 0 HD3 ARG B 243 -0.145 -20.430 -13.487 1.00 4.31 H new ATOM 0 HE ARG B 243 -2.090 -19.359 -11.745 1.00 24.10 H new ATOM 0 HH11 ARG B 243 -0.938 -22.595 -12.580 1.00 25.01 H new ATOM 0 HH12 ARG B 243 -1.270 -23.243 -10.970 1.00 25.01 H new ATOM 0 HH21 ARG B 243 -2.512 -20.197 -9.699 1.00 23.31 H new ATOM 0 HH22 ARG B 243 -2.158 -21.891 -9.344 1.00 23.31 H new ATOM 1773 N GLY B 244 -0.671 -14.235 -13.285 1.00 63.51 N ATOM 1774 CA GLY B 244 -0.078 -13.280 -12.393 1.00 72.42 C ATOM 1775 C GLY B 244 0.417 -12.067 -13.088 1.00 2.20 C ATOM 1776 O GLY B 244 0.324 -11.964 -14.310 1.00 12.10 O ATOM 0 H GLY B 244 -0.993 -13.870 -14.181 1.00 63.51 H new ATOM 0 HA2 GLY B 244 -0.812 -12.988 -11.642 1.00 72.42 H new ATOM 0 HA3 GLY B 244 0.750 -13.751 -11.863 1.00 72.42 H new ATOM 1780 N LEU B 245 0.955 -11.152 -12.335 1.00 12.34 N ATOM 1781 CA LEU B 245 1.448 -9.929 -12.892 1.00 41.22 C ATOM 1782 C LEU B 245 2.839 -9.630 -12.433 1.00 61.55 C ATOM 1783 O LEU B 245 3.208 -9.863 -11.276 1.00 12.42 O ATOM 1784 CB LEU B 245 0.550 -8.708 -12.617 1.00 64.23 C ATOM 1785 CG LEU B 245 -0.857 -8.703 -13.221 1.00 40.41 C ATOM 1786 CD1 LEU B 245 -1.818 -9.629 -12.480 1.00 35.33 C ATOM 1787 CD2 LEU B 245 -1.386 -7.298 -13.298 1.00 3.44 C ATOM 0 H LEU B 245 1.063 -11.233 -11.324 1.00 12.34 H new ATOM 0 HA LEU B 245 1.444 -10.099 -13.969 1.00 41.22 H new ATOM 0 HB2 LEU B 245 0.451 -8.603 -11.537 1.00 64.23 H new ATOM 0 HB3 LEU B 245 1.072 -7.821 -12.977 1.00 64.23 H new ATOM 0 HG LEU B 245 -0.781 -9.100 -14.233 1.00 40.41 H new ATOM 0 HD11 LEU B 245 -2.800 -9.586 -12.951 1.00 35.33 H new ATOM 0 HD12 LEU B 245 -1.441 -10.651 -12.519 1.00 35.33 H new ATOM 0 HD13 LEU B 245 -1.900 -9.312 -11.440 1.00 35.33 H new ATOM 0 HD21 LEU B 245 -2.387 -7.309 -13.729 1.00 3.44 H new ATOM 0 HD22 LEU B 245 -1.427 -6.869 -12.297 1.00 3.44 H new ATOM 0 HD23 LEU B 245 -0.728 -6.695 -13.924 1.00 3.44 H new ATOM 1799 N LYS B 246 3.593 -9.134 -13.338 1.00 3.55 N ATOM 1800 CA LYS B 246 4.924 -8.711 -13.118 1.00 12.52 C ATOM 1801 C LYS B 246 5.015 -7.230 -13.387 1.00 33.52 C ATOM 1802 O LYS B 246 4.724 -6.772 -14.466 1.00 5.23 O ATOM 1803 CB LYS B 246 5.859 -9.498 -14.021 1.00 43.11 C ATOM 1804 CG LYS B 246 7.219 -8.873 -14.234 1.00 13.33 C ATOM 1805 CD LYS B 246 7.983 -9.664 -15.249 1.00 11.22 C ATOM 1806 CE LYS B 246 9.241 -8.976 -15.664 1.00 3.41 C ATOM 1807 NZ LYS B 246 10.207 -8.850 -14.558 1.00 23.44 N ATOM 0 H LYS B 246 3.284 -9.005 -14.302 1.00 3.55 H new ATOM 0 HA LYS B 246 5.220 -8.895 -12.085 1.00 12.52 H new ATOM 0 HB2 LYS B 246 5.996 -10.493 -13.598 1.00 43.11 H new ATOM 0 HB3 LYS B 246 5.379 -9.627 -14.991 1.00 43.11 H new ATOM 0 HG2 LYS B 246 7.108 -7.842 -14.570 1.00 13.33 H new ATOM 0 HG3 LYS B 246 7.768 -8.844 -13.293 1.00 13.33 H new ATOM 0 HD2 LYS B 246 8.225 -10.644 -14.838 1.00 11.22 H new ATOM 0 HD3 LYS B 246 7.356 -9.832 -16.125 1.00 11.22 H new ATOM 0 HE2 LYS B 246 9.701 -9.530 -16.482 1.00 3.41 H new ATOM 0 HE3 LYS B 246 9.000 -7.984 -16.046 1.00 3.41 H new ATOM 0 HZ1 LYS B 246 10.409 -7.844 -14.386 1.00 23.44 H new ATOM 0 HZ2 LYS B 246 9.807 -9.275 -13.697 1.00 23.44 H new ATOM 0 HZ3 LYS B 246 11.088 -9.342 -14.809 1.00 23.44 H new ATOM 1821 N VAL B 247 5.411 -6.510 -12.418 1.00 25.32 N ATOM 1822 CA VAL B 247 5.510 -5.072 -12.528 1.00 25.34 C ATOM 1823 C VAL B 247 6.944 -4.618 -12.294 1.00 25.44 C ATOM 1824 O VAL B 247 7.628 -5.089 -11.391 1.00 24.14 O ATOM 1825 CB VAL B 247 4.525 -4.370 -11.550 1.00 53.32 C ATOM 1826 CG1 VAL B 247 4.777 -4.788 -10.119 1.00 23.41 C ATOM 1827 CG2 VAL B 247 4.606 -2.872 -11.683 1.00 51.14 C ATOM 0 H VAL B 247 5.684 -6.882 -11.508 1.00 25.32 H new ATOM 0 HA VAL B 247 5.227 -4.783 -13.540 1.00 25.34 H new ATOM 0 HB VAL B 247 3.517 -4.685 -11.821 1.00 53.32 H new ATOM 0 HG11 VAL B 247 4.072 -4.279 -9.462 1.00 23.41 H new ATOM 0 HG12 VAL B 247 4.646 -5.866 -10.026 1.00 23.41 H new ATOM 0 HG13 VAL B 247 5.795 -4.520 -9.836 1.00 23.41 H new ATOM 0 HG21 VAL B 247 3.907 -2.407 -10.988 1.00 51.14 H new ATOM 0 HG22 VAL B 247 5.619 -2.541 -11.455 1.00 51.14 H new ATOM 0 HG23 VAL B 247 4.351 -2.583 -12.702 1.00 51.14 H new ATOM 1837 N CYS B 248 7.411 -3.750 -13.117 1.00 42.44 N ATOM 1838 CA CYS B 248 8.742 -3.282 -12.986 1.00 31.13 C ATOM 1839 C CYS B 248 8.776 -1.778 -13.141 1.00 12.33 C ATOM 1840 O CYS B 248 8.722 -1.264 -14.254 1.00 1.41 O ATOM 1841 CB CYS B 248 9.630 -3.968 -14.028 1.00 70.13 C ATOM 1842 SG CYS B 248 11.410 -3.673 -13.828 1.00 4.21 S ATOM 0 H CYS B 248 6.887 -3.347 -13.894 1.00 42.44 H new ATOM 0 HA CYS B 248 9.124 -3.527 -11.995 1.00 31.13 H new ATOM 0 HB2 CYS B 248 9.448 -5.042 -13.989 1.00 70.13 H new ATOM 0 HB3 CYS B 248 9.330 -3.630 -15.020 1.00 70.13 H new ATOM 1847 N CYS B 249 8.794 -1.073 -12.033 1.00 40.13 N ATOM 1848 CA CYS B 249 8.862 0.368 -12.073 1.00 73.35 C ATOM 1849 C CYS B 249 10.300 0.848 -11.906 1.00 45.43 C ATOM 1850 O CYS B 249 11.043 0.375 -11.034 1.00 41.01 O ATOM 1851 CB CYS B 249 7.948 1.040 -11.034 1.00 1.40 C ATOM 1852 SG CYS B 249 6.115 0.881 -11.245 1.00 14.34 S ATOM 0 H CYS B 249 8.763 -1.474 -11.095 1.00 40.13 H new ATOM 0 HA CYS B 249 8.497 0.667 -13.056 1.00 73.35 H new ATOM 0 HB2 CYS B 249 8.206 0.638 -10.054 1.00 1.40 H new ATOM 0 HB3 CYS B 249 8.190 2.103 -11.016 1.00 1.40 H new ATOM 1857 N ASP B 250 10.671 1.774 -12.735 1.00 33.32 N ATOM 1858 CA ASP B 250 11.984 2.342 -12.766 1.00 34.51 C ATOM 1859 C ASP B 250 11.847 3.863 -12.676 1.00 73.42 C ATOM 1860 O ASP B 250 11.363 4.504 -13.600 1.00 11.13 O ATOM 1861 CB ASP B 250 12.665 1.978 -14.081 1.00 42.41 C ATOM 1862 CG ASP B 250 14.138 2.319 -14.121 1.00 71.32 C ATOM 1863 OD1 ASP B 250 14.551 3.393 -13.642 1.00 61.13 O ATOM 1864 OD2 ASP B 250 14.906 1.509 -14.670 1.00 3.42 O ATOM 0 H ASP B 250 10.044 2.170 -13.435 1.00 33.32 H new ATOM 0 HA ASP B 250 12.579 1.961 -11.936 1.00 34.51 H new ATOM 0 HB2 ASP B 250 12.544 0.909 -14.258 1.00 42.41 H new ATOM 0 HB3 ASP B 250 12.160 2.495 -14.896 1.00 42.41 H new ATOM 1869 N PRO B 251 12.247 4.447 -11.561 1.00 14.45 N ATOM 1870 CA PRO B 251 12.149 5.888 -11.325 1.00 15.20 C ATOM 1871 C PRO B 251 13.278 6.689 -11.992 1.00 54.01 C ATOM 1872 O PRO B 251 13.384 7.907 -11.772 1.00 30.32 O ATOM 1873 CB PRO B 251 12.264 5.979 -9.811 1.00 32.24 C ATOM 1874 CG PRO B 251 13.148 4.841 -9.449 1.00 44.53 C ATOM 1875 CD PRO B 251 12.839 3.750 -10.438 1.00 2.32 C ATOM 0 HA PRO B 251 11.234 6.309 -11.742 1.00 15.20 H new ATOM 0 HB2 PRO B 251 12.692 6.932 -9.500 1.00 32.24 H new ATOM 0 HB3 PRO B 251 11.289 5.896 -9.331 1.00 32.24 H new ATOM 0 HG2 PRO B 251 14.198 5.130 -9.501 1.00 44.53 H new ATOM 0 HG3 PRO B 251 12.959 4.508 -8.428 1.00 44.53 H new ATOM 0 HD2 PRO B 251 13.740 3.213 -10.733 1.00 2.32 H new ATOM 0 HD3 PRO B 251 12.152 3.015 -10.019 1.00 2.32 H new