USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 872 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 432 HIS : no HD1:sc= -0.139 X(o=-0.22,f=-0.036) USER MOD Set 1.2: A 436 GLN : amide:sc= -0.0798 K(o=-0.22,f=-1.3!) USER MOD Set 2.1: A 401 ASN : amide:sc= -1.34 K(o=-0.36,f=-4.2) USER MOD Set 2.2: A 417 LYS NZ :NH3+ -168:sc= 0.981 (180deg=0.858) USER MOD Set 3.1: A 398 TYR OH : rot 150:sc= 0.893 USER MOD Set 3.2: A 405 LYS NZ :NH3+ 172:sc= 1.28 (180deg=0.0894) USER MOD Set 4.1: A 370 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.3) USER MOD Set 4.2: A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 340 TYR OH : rot 30:sc= -1.38! USER MOD Single : A 342 TYR OH : rot 180:sc= -1.46! USER MOD Single : A 343 GLN : amide:sc= -1.22 K(o=-1.2,f=-6.4!) USER MOD Single : A 346 SER OG : rot 180:sc= 0 USER MOD Single : A 348 SER OG : rot 180:sc= 0 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 352 ASN : amide:sc= 0.554 K(o=0.55,f=-0.31) USER MOD Single : A 359 LYS NZ :NH3+ -167:sc= -0.012 (180deg=-0.162) USER MOD Single : A 361 SER OG : rot 180:sc= 0 USER MOD Single : A 362 LYS NZ :NH3+ -167:sc= 0.702 (180deg=-0.0182) USER MOD Single : A 378 ASN : amide:sc=-0.00353 X(o=-0.0035,f=-0.35) USER MOD Single : A 379 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=-0.019) USER MOD Single : A 380 LYS NZ :NH3+ -128:sc= 1.25 (180deg=0.599) USER MOD Single : A 381 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.7) USER MOD Single : A 387 TYR OH : rot -122:sc= -0.0497 USER MOD Single : A 389 LYS NZ :NH3+ 176:sc= 0.98 (180deg=0.869) USER MOD Single : A 390 MET CE :methyl -173:sc= -4.1! (180deg=-4.39!) USER MOD Single : A 391 SER OG : rot -62:sc= 1.25 USER MOD Single : A 396 HIS : no HE2:sc= -2.02! C(o=-2!,f=-3.2!) USER MOD Single : A 397 TYR OH : rot 21:sc= -2.42! USER MOD Single : A 399 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 GLN : amide:sc= -0.536 K(o=-0.54,f=-5.8!) USER MOD Single : A 416 MET CE :methyl -147:sc= -1.37 (180deg=-2.13!) USER MOD Single : A 418 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 423 MET CE :methyl 159:sc= -0.161 (180deg=-0.797) USER MOD Single : A 424 SER OG : rot -34:sc= 0.47 USER MOD Single : A 427 THR OG1 : rot 180:sc= 0 USER MOD Single : A 435 SER OG : rot 180:sc= 0.148 USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 336 -1.595 7.265 -5.538 1.00 1.08 N ATOM 81 CA LEU A 336 -1.284 6.770 -4.215 1.00 0.60 C ATOM 82 C LEU A 336 -1.575 5.280 -4.081 1.00 0.50 C ATOM 83 O LEU A 336 -2.224 4.682 -4.948 1.00 0.62 O ATOM 84 CB LEU A 336 -2.078 7.567 -3.179 1.00 0.36 C ATOM 85 CG LEU A 336 -1.755 9.062 -3.133 1.00 0.30 C ATOM 86 CD1 LEU A 336 -2.534 9.754 -2.037 1.00 0.25 C ATOM 87 CD2 LEU A 336 -0.276 9.281 -2.920 1.00 0.39 C ATOM 0 HA LEU A 336 -0.216 6.902 -4.043 1.00 0.60 H new ATOM 0 HB2 LEU A 336 -3.141 7.446 -3.385 1.00 0.36 H new ATOM 0 HB3 LEU A 336 -1.894 7.139 -2.193 1.00 0.36 H new ATOM 0 HG LEU A 336 -2.045 9.492 -4.092 1.00 0.30 H new ATOM 0 HD11 LEU A 336 -2.285 10.815 -2.028 1.00 0.25 H new ATOM 0 HD12 LEU A 336 -3.602 9.634 -2.218 1.00 0.25 H new ATOM 0 HD13 LEU A 336 -2.278 9.313 -1.074 1.00 0.25 H new ATOM 0 HD21 LEU A 336 -0.067 10.350 -2.890 1.00 0.39 H new ATOM 0 HD22 LEU A 336 0.027 8.826 -1.977 1.00 0.39 H new ATOM 0 HD23 LEU A 336 0.281 8.825 -3.739 1.00 0.39 H new ATOM 99 N LEU A 337 -1.089 4.692 -3.001 1.00 0.39 N ATOM 100 CA LEU A 337 -1.274 3.275 -2.726 1.00 0.30 C ATOM 101 C LEU A 337 -2.748 2.894 -2.742 1.00 0.26 C ATOM 102 O LEU A 337 -3.143 1.994 -3.487 1.00 0.25 O ATOM 103 CB LEU A 337 -0.628 2.926 -1.379 1.00 0.32 C ATOM 104 CG LEU A 337 -1.074 1.617 -0.722 1.00 0.31 C ATOM 105 CD1 LEU A 337 -0.754 0.424 -1.599 1.00 0.24 C ATOM 106 CD2 LEU A 337 -0.409 1.461 0.633 1.00 0.39 C ATOM 0 H LEU A 337 -0.553 5.185 -2.287 1.00 0.39 H new ATOM 0 HA LEU A 337 -0.787 2.700 -3.513 1.00 0.30 H new ATOM 0 HB2 LEU A 337 0.452 2.885 -1.520 1.00 0.32 H new ATOM 0 HB3 LEU A 337 -0.828 3.741 -0.684 1.00 0.32 H new ATOM 0 HG LEU A 337 -2.155 1.658 -0.590 1.00 0.31 H new ATOM 0 HD11 LEU A 337 -1.083 -0.490 -1.104 1.00 0.24 H new ATOM 0 HD12 LEU A 337 -1.270 0.526 -2.554 1.00 0.24 H new ATOM 0 HD13 LEU A 337 0.321 0.377 -1.771 1.00 0.24 H new ATOM 0 HD21 LEU A 337 -0.733 0.527 1.092 1.00 0.39 H new ATOM 0 HD22 LEU A 337 0.674 1.447 0.508 1.00 0.39 H new ATOM 0 HD23 LEU A 337 -0.689 2.297 1.274 1.00 0.39 H new ATOM 118 N TRP A 338 -3.562 3.607 -1.957 1.00 0.25 N ATOM 119 CA TRP A 338 -4.984 3.278 -1.822 1.00 0.24 C ATOM 120 C TRP A 338 -5.701 3.267 -3.171 1.00 0.24 C ATOM 121 O TRP A 338 -6.700 2.576 -3.334 1.00 0.24 O ATOM 122 CB TRP A 338 -5.706 4.209 -0.828 1.00 0.24 C ATOM 123 CG TRP A 338 -5.455 5.678 -1.019 1.00 0.21 C ATOM 124 CD1 TRP A 338 -4.745 6.489 -0.191 1.00 0.20 C ATOM 125 CD2 TRP A 338 -5.926 6.514 -2.084 1.00 0.22 C ATOM 126 NE1 TRP A 338 -4.734 7.768 -0.674 1.00 0.17 N ATOM 127 CE2 TRP A 338 -5.447 7.811 -1.838 1.00 0.19 C ATOM 128 CE3 TRP A 338 -6.696 6.291 -3.221 1.00 0.28 C ATOM 129 CZ2 TRP A 338 -5.716 8.877 -2.687 1.00 0.22 C ATOM 130 CZ3 TRP A 338 -6.958 7.349 -4.064 1.00 0.31 C ATOM 131 CH2 TRP A 338 -6.469 8.629 -3.794 1.00 0.28 C ATOM 0 H TRP A 338 -3.262 4.412 -1.408 1.00 0.25 H new ATOM 0 HA TRP A 338 -5.024 2.267 -1.416 1.00 0.24 H new ATOM 0 HB2 TRP A 338 -6.778 4.029 -0.902 1.00 0.24 H new ATOM 0 HB3 TRP A 338 -5.405 3.935 0.183 1.00 0.24 H new ATOM 0 HD1 TRP A 338 -4.259 6.169 0.719 1.00 0.20 H new ATOM 0 HE1 TRP A 338 -4.268 8.562 -0.235 1.00 0.17 H new ATOM 0 HE3 TRP A 338 -7.082 5.306 -3.439 1.00 0.28 H new ATOM 0 HZ2 TRP A 338 -5.341 9.868 -2.476 1.00 0.22 H new ATOM 0 HZ3 TRP A 338 -7.553 7.185 -4.950 1.00 0.31 H new ATOM 0 HH2 TRP A 338 -6.692 9.437 -4.475 1.00 0.28 H new ATOM 142 N ASP A 339 -5.190 4.022 -4.132 1.00 0.25 N ATOM 143 CA ASP A 339 -5.791 4.070 -5.458 1.00 0.27 C ATOM 144 C ASP A 339 -5.486 2.791 -6.210 1.00 0.26 C ATOM 145 O ASP A 339 -6.388 2.121 -6.703 1.00 0.33 O ATOM 146 CB ASP A 339 -5.287 5.288 -6.237 1.00 0.36 C ATOM 147 CG ASP A 339 -5.641 5.238 -7.714 1.00 1.00 C ATOM 148 OD1 ASP A 339 -6.783 5.586 -8.069 1.00 1.80 O ATOM 149 OD2 ASP A 339 -4.761 4.874 -8.527 1.00 1.19 O ATOM 0 H ASP A 339 -4.363 4.608 -4.020 1.00 0.25 H new ATOM 0 HA ASP A 339 -6.872 4.164 -5.349 1.00 0.27 H new ATOM 0 HB2 ASP A 339 -5.709 6.192 -5.799 1.00 0.36 H new ATOM 0 HB3 ASP A 339 -4.204 5.357 -6.131 1.00 0.36 H new ATOM 154 N TYR A 340 -4.212 2.431 -6.242 1.00 0.22 N ATOM 155 CA TYR A 340 -3.770 1.252 -6.966 1.00 0.20 C ATOM 156 C TYR A 340 -4.391 -0.016 -6.385 1.00 0.17 C ATOM 157 O TYR A 340 -4.909 -0.854 -7.121 1.00 0.17 O ATOM 158 CB TYR A 340 -2.248 1.144 -6.933 1.00 0.21 C ATOM 159 CG TYR A 340 -1.742 -0.101 -7.611 1.00 0.20 C ATOM 160 CD1 TYR A 340 -1.648 -0.173 -8.993 1.00 0.26 C ATOM 161 CD2 TYR A 340 -1.375 -1.209 -6.865 1.00 0.17 C ATOM 162 CE1 TYR A 340 -1.202 -1.317 -9.617 1.00 0.28 C ATOM 163 CE2 TYR A 340 -0.923 -2.358 -7.481 1.00 0.18 C ATOM 164 CZ TYR A 340 -0.839 -2.406 -8.861 1.00 0.24 C ATOM 165 OH TYR A 340 -0.402 -3.550 -9.486 1.00 0.28 O ATOM 0 H TYR A 340 -3.464 2.942 -5.772 1.00 0.22 H new ATOM 0 HA TYR A 340 -4.099 1.355 -8.000 1.00 0.20 H new ATOM 0 HB2 TYR A 340 -1.815 2.019 -7.417 1.00 0.21 H new ATOM 0 HB3 TYR A 340 -1.909 1.153 -5.897 1.00 0.21 H new ATOM 0 HD1 TYR A 340 -1.929 0.682 -9.590 1.00 0.26 H new ATOM 0 HD2 TYR A 340 -1.444 -1.173 -5.788 1.00 0.17 H new ATOM 0 HE1 TYR A 340 -1.138 -1.358 -10.694 1.00 0.28 H new ATOM 0 HE2 TYR A 340 -0.636 -3.215 -6.889 1.00 0.18 H new ATOM 0 HH TYR A 340 0.037 -3.314 -10.330 1.00 0.28 H new ATOM 175 N VAL A 341 -4.338 -0.148 -5.066 1.00 0.17 N ATOM 176 CA VAL A 341 -4.888 -1.322 -4.392 1.00 0.15 C ATOM 177 C VAL A 341 -6.394 -1.430 -4.630 1.00 0.15 C ATOM 178 O VAL A 341 -6.933 -2.522 -4.814 1.00 0.15 O ATOM 179 CB VAL A 341 -4.587 -1.291 -2.875 1.00 0.16 C ATOM 180 CG1 VAL A 341 -4.986 0.038 -2.268 1.00 0.18 C ATOM 181 CG2 VAL A 341 -5.296 -2.422 -2.155 1.00 0.15 C ATOM 0 H VAL A 341 -3.921 0.541 -4.440 1.00 0.17 H new ATOM 0 HA VAL A 341 -4.404 -2.201 -4.817 1.00 0.15 H new ATOM 0 HB VAL A 341 -3.512 -1.421 -2.753 1.00 0.16 H new ATOM 0 HG11 VAL A 341 -4.763 0.032 -1.201 1.00 0.18 H new ATOM 0 HG12 VAL A 341 -4.428 0.841 -2.751 1.00 0.18 H new ATOM 0 HG13 VAL A 341 -6.054 0.199 -2.415 1.00 0.18 H new ATOM 0 HG21 VAL A 341 -5.067 -2.376 -1.090 1.00 0.15 H new ATOM 0 HG22 VAL A 341 -6.372 -2.327 -2.299 1.00 0.15 H new ATOM 0 HG23 VAL A 341 -4.959 -3.377 -2.558 1.00 0.15 H new ATOM 191 N TYR A 342 -7.058 -0.287 -4.652 1.00 0.17 N ATOM 192 CA TYR A 342 -8.489 -0.228 -4.896 1.00 0.17 C ATOM 193 C TYR A 342 -8.811 -0.690 -6.321 1.00 0.17 C ATOM 194 O TYR A 342 -9.869 -1.269 -6.571 1.00 0.18 O ATOM 195 CB TYR A 342 -8.987 1.197 -4.648 1.00 0.20 C ATOM 196 CG TYR A 342 -10.446 1.295 -4.271 1.00 0.31 C ATOM 197 CD1 TYR A 342 -10.901 0.768 -3.069 1.00 0.48 C ATOM 198 CD2 TYR A 342 -11.362 1.927 -5.098 1.00 0.44 C ATOM 199 CE1 TYR A 342 -12.226 0.863 -2.705 1.00 0.67 C ATOM 200 CE2 TYR A 342 -12.690 2.030 -4.739 1.00 0.62 C ATOM 201 CZ TYR A 342 -13.118 1.494 -3.541 1.00 0.71 C ATOM 202 OH TYR A 342 -14.439 1.596 -3.173 1.00 0.92 O ATOM 0 H TYR A 342 -6.622 0.623 -4.502 1.00 0.17 H new ATOM 0 HA TYR A 342 -9.003 -0.902 -4.210 1.00 0.17 H new ATOM 0 HB2 TYR A 342 -8.389 1.644 -3.854 1.00 0.20 H new ATOM 0 HB3 TYR A 342 -8.817 1.789 -5.547 1.00 0.20 H new ATOM 0 HD1 TYR A 342 -10.203 0.275 -2.408 1.00 0.48 H new ATOM 0 HD2 TYR A 342 -11.031 2.345 -6.037 1.00 0.44 H new ATOM 0 HE1 TYR A 342 -12.563 0.444 -1.768 1.00 0.67 H new ATOM 0 HE2 TYR A 342 -13.392 2.528 -5.392 1.00 0.62 H new ATOM 0 HH TYR A 342 -14.937 2.070 -3.871 1.00 0.92 H new ATOM 212 N GLN A 343 -7.884 -0.444 -7.251 1.00 0.18 N ATOM 213 CA GLN A 343 -8.035 -0.908 -8.630 1.00 0.19 C ATOM 214 C GLN A 343 -7.968 -2.427 -8.694 1.00 0.18 C ATOM 215 O GLN A 343 -8.655 -3.056 -9.499 1.00 0.23 O ATOM 216 CB GLN A 343 -6.938 -0.341 -9.539 1.00 0.26 C ATOM 217 CG GLN A 343 -6.757 1.164 -9.461 1.00 0.71 C ATOM 218 CD GLN A 343 -7.975 1.952 -9.912 1.00 1.41 C ATOM 219 OE1 GLN A 343 -9.117 1.508 -9.782 1.00 2.07 O ATOM 220 NE2 GLN A 343 -7.741 3.138 -10.447 1.00 2.22 N ATOM 0 H GLN A 343 -7.023 0.073 -7.073 1.00 0.18 H new ATOM 0 HA GLN A 343 -9.007 -0.557 -8.977 1.00 0.19 H new ATOM 0 HB2 GLN A 343 -5.992 -0.820 -9.284 1.00 0.26 H new ATOM 0 HB3 GLN A 343 -7.165 -0.612 -10.570 1.00 0.26 H new ATOM 0 HG2 GLN A 343 -6.518 1.439 -8.434 1.00 0.71 H new ATOM 0 HG3 GLN A 343 -5.903 1.450 -10.075 1.00 0.71 H new ATOM 0 HE21 GLN A 343 -6.783 3.476 -10.540 1.00 2.22 H new ATOM 0 HE22 GLN A 343 -8.518 3.716 -10.767 1.00 2.22 H new ATOM 229 N LEU A 344 -7.141 -3.015 -7.833 1.00 0.16 N ATOM 230 CA LEU A 344 -6.927 -4.452 -7.844 1.00 0.15 C ATOM 231 C LEU A 344 -8.193 -5.148 -7.383 1.00 0.17 C ATOM 232 O LEU A 344 -8.488 -6.272 -7.779 1.00 0.24 O ATOM 233 CB LEU A 344 -5.767 -4.832 -6.925 1.00 0.15 C ATOM 234 CG LEU A 344 -4.495 -3.995 -7.072 1.00 0.12 C ATOM 235 CD1 LEU A 344 -3.407 -4.542 -6.167 1.00 0.13 C ATOM 236 CD2 LEU A 344 -4.025 -3.952 -8.523 1.00 0.19 C ATOM 0 H LEU A 344 -6.610 -2.515 -7.120 1.00 0.16 H new ATOM 0 HA LEU A 344 -6.679 -4.765 -8.858 1.00 0.15 H new ATOM 0 HB2 LEU A 344 -6.109 -4.760 -5.892 1.00 0.15 H new ATOM 0 HB3 LEU A 344 -5.514 -5.877 -7.105 1.00 0.15 H new ATOM 0 HG LEU A 344 -4.720 -2.972 -6.771 1.00 0.12 H new ATOM 0 HD11 LEU A 344 -2.505 -3.940 -6.278 1.00 0.13 H new ATOM 0 HD12 LEU A 344 -3.743 -4.505 -5.131 1.00 0.13 H new ATOM 0 HD13 LEU A 344 -3.190 -5.574 -6.441 1.00 0.13 H new ATOM 0 HD21 LEU A 344 -3.119 -3.350 -8.594 1.00 0.19 H new ATOM 0 HD22 LEU A 344 -3.815 -4.965 -8.868 1.00 0.19 H new ATOM 0 HD23 LEU A 344 -4.804 -3.511 -9.145 1.00 0.19 H new ATOM 248 N LEU A 345 -8.941 -4.444 -6.549 1.00 0.18 N ATOM 249 CA LEU A 345 -10.200 -4.938 -6.029 1.00 0.20 C ATOM 250 C LEU A 345 -11.287 -4.914 -7.099 1.00 0.25 C ATOM 251 O LEU A 345 -12.368 -5.473 -6.917 1.00 0.36 O ATOM 252 CB LEU A 345 -10.627 -4.082 -4.839 1.00 0.17 C ATOM 253 CG LEU A 345 -9.677 -4.116 -3.648 1.00 0.15 C ATOM 254 CD1 LEU A 345 -9.983 -2.989 -2.678 1.00 0.16 C ATOM 255 CD2 LEU A 345 -9.762 -5.456 -2.942 1.00 0.15 C ATOM 0 H LEU A 345 -8.690 -3.514 -6.215 1.00 0.18 H new ATOM 0 HA LEU A 345 -10.061 -5.972 -5.712 1.00 0.20 H new ATOM 0 HB2 LEU A 345 -10.731 -3.049 -5.172 1.00 0.17 H new ATOM 0 HB3 LEU A 345 -11.612 -4.411 -4.508 1.00 0.17 H new ATOM 0 HG LEU A 345 -8.662 -3.979 -4.020 1.00 0.15 H new ATOM 0 HD11 LEU A 345 -9.291 -3.035 -1.837 1.00 0.16 H new ATOM 0 HD12 LEU A 345 -9.873 -2.031 -3.187 1.00 0.16 H new ATOM 0 HD13 LEU A 345 -11.005 -3.090 -2.313 1.00 0.16 H new ATOM 0 HD21 LEU A 345 -9.078 -5.464 -2.094 1.00 0.15 H new ATOM 0 HD22 LEU A 345 -10.780 -5.617 -2.588 1.00 0.15 H new ATOM 0 HD23 LEU A 345 -9.489 -6.251 -3.636 1.00 0.15 H new ATOM 267 N SER A 346 -10.996 -4.262 -8.212 1.00 0.28 N ATOM 268 CA SER A 346 -11.964 -4.115 -9.282 1.00 0.35 C ATOM 269 C SER A 346 -11.743 -5.164 -10.374 1.00 0.36 C ATOM 270 O SER A 346 -12.624 -5.407 -11.200 1.00 0.54 O ATOM 271 CB SER A 346 -11.878 -2.701 -9.864 1.00 0.46 C ATOM 272 OG SER A 346 -12.852 -2.489 -10.873 1.00 1.06 O ATOM 0 H SER A 346 -10.093 -3.825 -8.397 1.00 0.28 H new ATOM 0 HA SER A 346 -12.962 -4.272 -8.873 1.00 0.35 H new ATOM 0 HB2 SER A 346 -12.015 -1.970 -9.067 1.00 0.46 H new ATOM 0 HB3 SER A 346 -10.883 -2.538 -10.278 1.00 0.46 H new ATOM 0 HG SER A 346 -12.769 -1.577 -11.221 1.00 1.06 H new ATOM 278 N ASP A 347 -10.578 -5.807 -10.367 1.00 0.32 N ATOM 279 CA ASP A 347 -10.241 -6.760 -11.420 1.00 0.34 C ATOM 280 C ASP A 347 -10.011 -8.151 -10.840 1.00 0.34 C ATOM 281 O ASP A 347 -9.405 -8.304 -9.781 1.00 0.43 O ATOM 282 CB ASP A 347 -8.992 -6.312 -12.178 1.00 0.41 C ATOM 283 CG ASP A 347 -9.017 -6.777 -13.621 1.00 0.80 C ATOM 284 OD1 ASP A 347 -9.160 -7.993 -13.861 1.00 0.99 O ATOM 285 OD2 ASP A 347 -8.865 -5.928 -14.521 1.00 1.18 O ATOM 0 H ASP A 347 -9.859 -5.688 -9.653 1.00 0.32 H new ATOM 0 HA ASP A 347 -11.083 -6.798 -12.112 1.00 0.34 H new ATOM 0 HB2 ASP A 347 -8.917 -5.225 -12.147 1.00 0.41 H new ATOM 0 HB3 ASP A 347 -8.105 -6.707 -11.683 1.00 0.41 H new ATOM 290 N SER A 348 -10.491 -9.162 -11.554 1.00 0.40 N ATOM 291 CA SER A 348 -10.420 -10.540 -11.103 1.00 0.43 C ATOM 292 C SER A 348 -9.008 -11.122 -11.215 1.00 0.35 C ATOM 293 O SER A 348 -8.725 -12.181 -10.655 1.00 0.40 O ATOM 294 CB SER A 348 -11.394 -11.367 -11.909 1.00 0.59 C ATOM 295 OG SER A 348 -12.693 -10.796 -11.882 1.00 0.79 O ATOM 0 H SER A 348 -10.940 -9.046 -12.462 1.00 0.40 H new ATOM 0 HA SER A 348 -10.683 -10.565 -10.046 1.00 0.43 H new ATOM 0 HB2 SER A 348 -11.047 -11.441 -12.940 1.00 0.59 H new ATOM 0 HB3 SER A 348 -11.431 -12.381 -11.511 1.00 0.59 H new ATOM 0 HG SER A 348 -13.304 -11.349 -12.412 1.00 0.79 H new ATOM 301 N ARG A 349 -8.128 -10.431 -11.943 1.00 0.34 N ATOM 302 CA ARG A 349 -6.744 -10.864 -12.106 1.00 0.37 C ATOM 303 C ARG A 349 -6.075 -11.067 -10.761 1.00 0.31 C ATOM 304 O ARG A 349 -5.340 -12.027 -10.546 1.00 0.42 O ATOM 305 CB ARG A 349 -5.959 -9.809 -12.853 1.00 0.45 C ATOM 306 CG ARG A 349 -6.644 -9.313 -14.095 1.00 0.71 C ATOM 307 CD ARG A 349 -5.749 -8.382 -14.855 1.00 1.07 C ATOM 308 NE ARG A 349 -6.443 -7.749 -15.974 1.00 1.86 N ATOM 309 CZ ARG A 349 -5.950 -6.740 -16.692 1.00 2.54 C ATOM 310 NH1 ARG A 349 -4.724 -6.287 -16.456 1.00 2.75 N ATOM 311 NH2 ARG A 349 -6.690 -6.189 -17.646 1.00 3.43 N ATOM 0 H ARG A 349 -8.354 -9.564 -12.431 1.00 0.34 H new ATOM 0 HA ARG A 349 -6.757 -11.804 -12.658 1.00 0.37 H new ATOM 0 HB2 ARG A 349 -5.777 -8.965 -12.188 1.00 0.45 H new ATOM 0 HB3 ARG A 349 -4.985 -10.217 -13.124 1.00 0.45 H new ATOM 0 HG2 ARG A 349 -6.920 -10.157 -14.727 1.00 0.71 H new ATOM 0 HG3 ARG A 349 -7.568 -8.800 -13.827 1.00 0.71 H new ATOM 0 HD2 ARG A 349 -5.370 -7.613 -14.182 1.00 1.07 H new ATOM 0 HD3 ARG A 349 -4.886 -8.933 -15.228 1.00 1.07 H new ATOM 0 HE ARG A 349 -7.367 -8.103 -16.222 1.00 1.86 H new ATOM 0 HH11 ARG A 349 -4.156 -6.711 -15.723 1.00 2.75 H new ATOM 0 HH12 ARG A 349 -4.351 -5.515 -17.008 1.00 2.75 H new ATOM 0 HH21 ARG A 349 -7.631 -6.538 -17.827 1.00 3.43 H new ATOM 0 HH22 ARG A 349 -6.317 -5.417 -18.198 1.00 3.43 H new ATOM 325 N TYR A 350 -6.334 -10.131 -9.869 1.00 0.26 N ATOM 326 CA TYR A 350 -5.639 -10.053 -8.601 1.00 0.30 C ATOM 327 C TYR A 350 -6.390 -10.731 -7.462 1.00 0.24 C ATOM 328 O TYR A 350 -6.118 -10.435 -6.312 1.00 0.25 O ATOM 329 CB TYR A 350 -5.423 -8.580 -8.260 1.00 0.40 C ATOM 330 CG TYR A 350 -4.997 -7.777 -9.461 1.00 0.47 C ATOM 331 CD1 TYR A 350 -3.720 -7.909 -9.973 1.00 0.54 C ATOM 332 CD2 TYR A 350 -5.880 -6.917 -10.108 1.00 0.52 C ATOM 333 CE1 TYR A 350 -3.327 -7.209 -11.089 1.00 0.61 C ATOM 334 CE2 TYR A 350 -5.493 -6.216 -11.233 1.00 0.60 C ATOM 335 CZ TYR A 350 -4.215 -6.365 -11.718 1.00 0.63 C ATOM 336 OH TYR A 350 -3.822 -5.674 -12.842 1.00 0.72 O ATOM 0 H TYR A 350 -7.034 -9.402 -10.004 1.00 0.26 H new ATOM 0 HA TYR A 350 -4.693 -10.583 -8.709 1.00 0.30 H new ATOM 0 HB2 TYR A 350 -6.345 -8.163 -7.854 1.00 0.40 H new ATOM 0 HB3 TYR A 350 -4.665 -8.496 -7.481 1.00 0.40 H new ATOM 0 HD1 TYR A 350 -3.019 -8.573 -9.488 1.00 0.54 H new ATOM 0 HD2 TYR A 350 -6.882 -6.796 -9.724 1.00 0.52 H new ATOM 0 HE1 TYR A 350 -2.323 -7.321 -11.472 1.00 0.61 H new ATOM 0 HE2 TYR A 350 -6.189 -5.555 -11.728 1.00 0.60 H new ATOM 0 HH TYR A 350 -4.566 -5.124 -13.164 1.00 0.72 H new ATOM 346 N GLU A 351 -7.310 -11.642 -7.760 1.00 0.22 N ATOM 347 CA GLU A 351 -8.103 -12.281 -6.703 1.00 0.23 C ATOM 348 C GLU A 351 -7.223 -13.052 -5.710 1.00 0.21 C ATOM 349 O GLU A 351 -7.533 -13.122 -4.523 1.00 0.25 O ATOM 350 CB GLU A 351 -9.159 -13.215 -7.295 1.00 0.31 C ATOM 351 CG GLU A 351 -8.577 -14.340 -8.130 1.00 0.36 C ATOM 352 CD GLU A 351 -9.640 -15.253 -8.702 1.00 0.97 C ATOM 353 OE1 GLU A 351 -10.234 -14.902 -9.743 1.00 1.22 O ATOM 354 OE2 GLU A 351 -9.890 -16.325 -8.114 1.00 1.45 O ATOM 0 H GLU A 351 -7.527 -11.954 -8.707 1.00 0.22 H new ATOM 0 HA GLU A 351 -8.603 -11.480 -6.159 1.00 0.23 H new ATOM 0 HB2 GLU A 351 -9.748 -13.643 -6.484 1.00 0.31 H new ATOM 0 HB3 GLU A 351 -9.842 -12.632 -7.912 1.00 0.31 H new ATOM 0 HG2 GLU A 351 -7.991 -13.916 -8.945 1.00 0.36 H new ATOM 0 HG3 GLU A 351 -7.893 -14.926 -7.516 1.00 0.36 H new ATOM 361 N ASN A 352 -6.129 -13.629 -6.193 1.00 0.22 N ATOM 362 CA ASN A 352 -5.218 -14.381 -5.337 1.00 0.24 C ATOM 363 C ASN A 352 -4.204 -13.424 -4.707 1.00 0.19 C ATOM 364 O ASN A 352 -3.357 -13.822 -3.912 1.00 0.21 O ATOM 365 CB ASN A 352 -4.510 -15.483 -6.143 1.00 0.32 C ATOM 366 CG ASN A 352 -4.044 -16.665 -5.309 1.00 0.62 C ATOM 367 OD1 ASN A 352 -4.024 -17.803 -5.785 1.00 1.06 O ATOM 368 ND2 ASN A 352 -3.661 -16.424 -4.079 1.00 1.06 N ATOM 0 H ASN A 352 -5.851 -13.591 -7.174 1.00 0.22 H new ATOM 0 HA ASN A 352 -5.785 -14.864 -4.541 1.00 0.24 H new ATOM 0 HB2 ASN A 352 -5.188 -15.844 -6.917 1.00 0.32 H new ATOM 0 HB3 ASN A 352 -3.649 -15.049 -6.651 1.00 0.32 H new ATOM 0 HD21 ASN A 352 -3.335 -17.188 -3.487 1.00 1.06 H new ATOM 0 HD22 ASN A 352 -3.689 -15.472 -3.713 1.00 1.06 H new ATOM 375 N PHE A 353 -4.303 -12.159 -5.071 1.00 0.16 N ATOM 376 CA PHE A 353 -3.465 -11.124 -4.486 1.00 0.14 C ATOM 377 C PHE A 353 -4.268 -10.337 -3.461 1.00 0.12 C ATOM 378 O PHE A 353 -3.800 -10.064 -2.358 1.00 0.11 O ATOM 379 CB PHE A 353 -2.950 -10.169 -5.566 1.00 0.16 C ATOM 380 CG PHE A 353 -2.033 -10.804 -6.572 1.00 0.19 C ATOM 381 CD1 PHE A 353 -2.541 -11.566 -7.612 1.00 0.30 C ATOM 382 CD2 PHE A 353 -0.663 -10.630 -6.481 1.00 0.21 C ATOM 383 CE1 PHE A 353 -1.698 -12.145 -8.540 1.00 0.34 C ATOM 384 CE2 PHE A 353 0.185 -11.204 -7.407 1.00 0.25 C ATOM 385 CZ PHE A 353 -0.334 -11.963 -8.438 1.00 0.29 C ATOM 0 H PHE A 353 -4.960 -11.820 -5.774 1.00 0.16 H new ATOM 0 HA PHE A 353 -2.612 -11.601 -4.004 1.00 0.14 H new ATOM 0 HB2 PHE A 353 -3.803 -9.740 -6.091 1.00 0.16 H new ATOM 0 HB3 PHE A 353 -2.425 -9.344 -5.084 1.00 0.16 H new ATOM 0 HD1 PHE A 353 -3.608 -11.709 -7.698 1.00 0.30 H new ATOM 0 HD2 PHE A 353 -0.252 -10.038 -5.676 1.00 0.21 H new ATOM 0 HE1 PHE A 353 -2.106 -12.739 -9.344 1.00 0.34 H new ATOM 0 HE2 PHE A 353 1.252 -11.060 -7.326 1.00 0.25 H new ATOM 0 HZ PHE A 353 0.327 -12.413 -9.163 1.00 0.29 H new ATOM 395 N ILE A 354 -5.482 -9.980 -3.842 1.00 0.11 N ATOM 396 CA ILE A 354 -6.369 -9.203 -3.005 1.00 0.11 C ATOM 397 C ILE A 354 -7.820 -9.426 -3.440 1.00 0.12 C ATOM 398 O ILE A 354 -8.091 -9.625 -4.621 1.00 0.16 O ATOM 399 CB ILE A 354 -6.004 -7.709 -3.090 1.00 0.11 C ATOM 400 CG1 ILE A 354 -6.747 -6.917 -2.027 1.00 0.12 C ATOM 401 CG2 ILE A 354 -6.295 -7.151 -4.480 1.00 0.13 C ATOM 402 CD1 ILE A 354 -6.188 -5.539 -1.828 1.00 0.12 C ATOM 0 H ILE A 354 -5.880 -10.225 -4.749 1.00 0.11 H new ATOM 0 HA ILE A 354 -6.259 -9.527 -1.970 1.00 0.11 H new ATOM 0 HB ILE A 354 -4.934 -7.612 -2.908 1.00 0.11 H new ATOM 0 HG12 ILE A 354 -7.798 -6.840 -2.306 1.00 0.12 H new ATOM 0 HG13 ILE A 354 -6.707 -7.460 -1.083 1.00 0.12 H new ATOM 0 HG21 ILE A 354 -6.028 -6.095 -4.511 1.00 0.13 H new ATOM 0 HG22 ILE A 354 -5.709 -7.696 -5.221 1.00 0.13 H new ATOM 0 HG23 ILE A 354 -7.356 -7.264 -4.702 1.00 0.13 H new ATOM 0 HD11 ILE A 354 -6.760 -5.022 -1.057 1.00 0.12 H new ATOM 0 HD12 ILE A 354 -5.145 -5.611 -1.520 1.00 0.12 H new ATOM 0 HD13 ILE A 354 -6.253 -4.982 -2.762 1.00 0.12 H new ATOM 414 N ARG A 355 -8.748 -9.436 -2.495 1.00 0.12 N ATOM 415 CA ARG A 355 -10.152 -9.643 -2.834 1.00 0.14 C ATOM 416 C ARG A 355 -11.078 -9.039 -1.785 1.00 0.14 C ATOM 417 O ARG A 355 -10.734 -8.952 -0.606 1.00 0.15 O ATOM 418 CB ARG A 355 -10.446 -11.137 -3.000 1.00 0.18 C ATOM 419 CG ARG A 355 -10.193 -11.958 -1.748 1.00 0.24 C ATOM 420 CD ARG A 355 -10.473 -13.433 -1.981 1.00 0.40 C ATOM 421 NE ARG A 355 -9.672 -14.002 -3.059 1.00 0.90 N ATOM 422 CZ ARG A 355 -9.929 -15.182 -3.622 1.00 1.53 C ATOM 423 NH1 ARG A 355 -11.018 -15.863 -3.281 1.00 1.59 N ATOM 424 NH2 ARG A 355 -9.108 -15.670 -4.542 1.00 2.39 N ATOM 0 H ARG A 355 -8.561 -9.305 -1.501 1.00 0.12 H new ATOM 0 HA ARG A 355 -10.341 -9.134 -3.779 1.00 0.14 H new ATOM 0 HB2 ARG A 355 -11.487 -11.261 -3.300 1.00 0.18 H new ATOM 0 HB3 ARG A 355 -9.832 -11.530 -3.810 1.00 0.18 H new ATOM 0 HG2 ARG A 355 -9.158 -11.829 -1.431 1.00 0.24 H new ATOM 0 HG3 ARG A 355 -10.823 -11.591 -0.938 1.00 0.24 H new ATOM 0 HD2 ARG A 355 -10.278 -13.984 -1.061 1.00 0.40 H new ATOM 0 HD3 ARG A 355 -11.530 -13.564 -2.213 1.00 0.40 H new ATOM 0 HE ARG A 355 -8.873 -13.468 -3.400 1.00 0.90 H new ATOM 0 HH11 ARG A 355 -11.661 -15.483 -2.586 1.00 1.59 H new ATOM 0 HH12 ARG A 355 -11.211 -16.766 -3.714 1.00 1.59 H new ATOM 0 HH21 ARG A 355 -8.280 -15.142 -4.818 1.00 2.39 H new ATOM 0 HH22 ARG A 355 -9.304 -16.573 -4.973 1.00 2.39 H new ATOM 438 N TRP A 356 -12.244 -8.605 -2.242 1.00 0.15 N ATOM 439 CA TRP A 356 -13.288 -8.079 -1.369 1.00 0.16 C ATOM 440 C TRP A 356 -13.849 -9.151 -0.445 1.00 0.18 C ATOM 441 O TRP A 356 -14.099 -10.279 -0.863 1.00 0.25 O ATOM 442 CB TRP A 356 -14.434 -7.510 -2.201 1.00 0.18 C ATOM 443 CG TRP A 356 -14.119 -6.199 -2.834 1.00 0.18 C ATOM 444 CD1 TRP A 356 -13.931 -5.947 -4.157 1.00 0.21 C ATOM 445 CD2 TRP A 356 -13.953 -4.957 -2.158 1.00 0.16 C ATOM 446 NE1 TRP A 356 -13.674 -4.611 -4.344 1.00 0.22 N ATOM 447 CE2 TRP A 356 -13.681 -3.986 -3.126 1.00 0.19 C ATOM 448 CE3 TRP A 356 -14.015 -4.572 -0.824 1.00 0.15 C ATOM 449 CZ2 TRP A 356 -13.477 -2.653 -2.798 1.00 0.21 C ATOM 450 CZ3 TRP A 356 -13.804 -3.255 -0.499 1.00 0.17 C ATOM 451 CH2 TRP A 356 -13.539 -2.305 -1.481 1.00 0.20 C ATOM 0 H TRP A 356 -12.495 -8.607 -3.231 1.00 0.15 H new ATOM 0 HA TRP A 356 -12.831 -7.297 -0.762 1.00 0.16 H new ATOM 0 HB2 TRP A 356 -14.697 -8.226 -2.980 1.00 0.18 H new ATOM 0 HB3 TRP A 356 -15.311 -7.395 -1.565 1.00 0.18 H new ATOM 0 HD1 TRP A 356 -13.977 -6.687 -4.943 1.00 0.21 H new ATOM 0 HE1 TRP A 356 -13.506 -4.159 -5.243 1.00 0.22 H new ATOM 0 HE3 TRP A 356 -14.226 -5.299 -0.054 1.00 0.15 H new ATOM 0 HZ2 TRP A 356 -13.276 -1.915 -3.561 1.00 0.21 H new ATOM 0 HZ3 TRP A 356 -13.844 -2.951 0.537 1.00 0.17 H new ATOM 0 HH2 TRP A 356 -13.380 -1.276 -1.195 1.00 0.20 H new ATOM 462 N GLU A 357 -14.040 -8.777 0.810 1.00 0.18 N ATOM 463 CA GLU A 357 -14.732 -9.614 1.771 1.00 0.22 C ATOM 464 C GLU A 357 -16.151 -9.103 1.943 1.00 0.22 C ATOM 465 O GLU A 357 -17.111 -9.871 1.968 1.00 0.31 O ATOM 466 CB GLU A 357 -13.995 -9.598 3.104 1.00 0.25 C ATOM 467 CG GLU A 357 -12.724 -10.418 3.092 1.00 0.52 C ATOM 468 CD GLU A 357 -12.990 -11.906 3.135 1.00 0.45 C ATOM 469 OE1 GLU A 357 -13.316 -12.490 2.085 1.00 0.79 O ATOM 470 OE2 GLU A 357 -12.860 -12.504 4.226 1.00 0.73 O ATOM 0 H GLU A 357 -13.719 -7.886 1.189 1.00 0.18 H new ATOM 0 HA GLU A 357 -14.761 -10.642 1.409 1.00 0.22 H new ATOM 0 HB2 GLU A 357 -13.753 -8.568 3.365 1.00 0.25 H new ATOM 0 HB3 GLU A 357 -14.657 -9.977 3.882 1.00 0.25 H new ATOM 0 HG2 GLU A 357 -12.152 -10.181 2.195 1.00 0.52 H new ATOM 0 HG3 GLU A 357 -12.108 -10.138 3.946 1.00 0.52 H new ATOM 477 N ASP A 358 -16.261 -7.787 2.050 1.00 0.19 N ATOM 478 CA ASP A 358 -17.545 -7.106 2.132 1.00 0.22 C ATOM 479 C ASP A 358 -17.460 -5.821 1.325 1.00 0.20 C ATOM 480 O ASP A 358 -17.119 -4.768 1.859 1.00 0.22 O ATOM 481 CB ASP A 358 -17.918 -6.789 3.588 1.00 0.28 C ATOM 482 CG ASP A 358 -18.089 -8.028 4.444 1.00 1.02 C ATOM 483 OD1 ASP A 358 -19.142 -8.696 4.337 1.00 1.30 O ATOM 484 OD2 ASP A 358 -17.175 -8.339 5.236 1.00 2.07 O ATOM 0 H ASP A 358 -15.458 -7.158 2.083 1.00 0.19 H new ATOM 0 HA ASP A 358 -18.321 -7.758 1.730 1.00 0.22 H new ATOM 0 HB2 ASP A 358 -17.145 -6.157 4.025 1.00 0.28 H new ATOM 0 HB3 ASP A 358 -18.844 -6.215 3.602 1.00 0.28 H new ATOM 489 N LYS A 359 -17.753 -5.926 0.033 1.00 0.23 N ATOM 490 CA LYS A 359 -17.527 -4.832 -0.915 1.00 0.26 C ATOM 491 C LYS A 359 -18.274 -3.555 -0.536 1.00 0.28 C ATOM 492 O LYS A 359 -17.698 -2.468 -0.583 1.00 0.33 O ATOM 493 CB LYS A 359 -17.899 -5.276 -2.329 1.00 0.35 C ATOM 494 CG LYS A 359 -17.613 -4.235 -3.402 1.00 0.41 C ATOM 495 CD LYS A 359 -17.259 -4.896 -4.724 1.00 0.60 C ATOM 496 CE LYS A 359 -17.084 -3.884 -5.848 1.00 0.96 C ATOM 497 NZ LYS A 359 -18.341 -3.152 -6.152 1.00 1.65 N ATOM 0 H LYS A 359 -18.152 -6.765 -0.388 1.00 0.23 H new ATOM 0 HA LYS A 359 -16.465 -4.591 -0.879 1.00 0.26 H new ATOM 0 HB2 LYS A 359 -17.352 -6.188 -2.568 1.00 0.35 H new ATOM 0 HB3 LYS A 359 -18.960 -5.525 -2.353 1.00 0.35 H new ATOM 0 HG2 LYS A 359 -18.485 -3.595 -3.534 1.00 0.41 H new ATOM 0 HG3 LYS A 359 -16.792 -3.593 -3.081 1.00 0.41 H new ATOM 0 HD2 LYS A 359 -16.339 -5.468 -4.607 1.00 0.60 H new ATOM 0 HD3 LYS A 359 -18.042 -5.604 -4.995 1.00 0.60 H new ATOM 0 HE2 LYS A 359 -16.308 -3.170 -5.572 1.00 0.96 H new ATOM 0 HE3 LYS A 359 -16.740 -4.398 -6.746 1.00 0.96 H new ATOM 0 HZ1 LYS A 359 -18.237 -2.643 -7.053 1.00 1.65 H new ATOM 0 HZ2 LYS A 359 -19.128 -3.828 -6.225 1.00 1.65 H new ATOM 0 HZ3 LYS A 359 -18.539 -2.472 -5.391 1.00 1.65 H new ATOM 511 N GLU A 360 -19.539 -3.674 -0.150 1.00 0.32 N ATOM 512 CA GLU A 360 -20.319 -2.500 0.217 1.00 0.36 C ATOM 513 C GLU A 360 -19.833 -1.927 1.546 1.00 0.34 C ATOM 514 O GLU A 360 -19.836 -0.715 1.749 1.00 0.42 O ATOM 515 CB GLU A 360 -21.812 -2.831 0.295 1.00 0.45 C ATOM 516 CG GLU A 360 -22.681 -1.615 0.585 1.00 0.94 C ATOM 517 CD GLU A 360 -24.158 -1.939 0.632 1.00 1.10 C ATOM 518 OE1 GLU A 360 -24.658 -2.294 1.722 1.00 1.40 O ATOM 519 OE2 GLU A 360 -24.826 -1.831 -0.416 1.00 1.33 O ATOM 0 H GLU A 360 -20.041 -4.560 -0.084 1.00 0.32 H new ATOM 0 HA GLU A 360 -20.178 -1.749 -0.560 1.00 0.36 H new ATOM 0 HB2 GLU A 360 -22.128 -3.279 -0.647 1.00 0.45 H new ATOM 0 HB3 GLU A 360 -21.972 -3.578 1.073 1.00 0.45 H new ATOM 0 HG2 GLU A 360 -22.380 -1.180 1.538 1.00 0.94 H new ATOM 0 HG3 GLU A 360 -22.505 -0.859 -0.180 1.00 0.94 H new ATOM 526 N SER A 361 -19.403 -2.806 2.440 1.00 0.28 N ATOM 527 CA SER A 361 -18.857 -2.392 3.722 1.00 0.27 C ATOM 528 C SER A 361 -17.465 -1.785 3.553 1.00 0.23 C ATOM 529 O SER A 361 -16.958 -1.116 4.454 1.00 0.25 O ATOM 530 CB SER A 361 -18.789 -3.603 4.649 1.00 0.29 C ATOM 531 OG SER A 361 -20.082 -4.122 4.912 1.00 1.10 O ATOM 0 H SER A 361 -19.423 -3.816 2.298 1.00 0.28 H new ATOM 0 HA SER A 361 -19.506 -1.630 4.153 1.00 0.27 H new ATOM 0 HB2 SER A 361 -18.169 -4.377 4.196 1.00 0.29 H new ATOM 0 HB3 SER A 361 -18.310 -3.320 5.587 1.00 0.29 H new ATOM 0 HG SER A 361 -20.008 -4.898 5.507 1.00 1.10 H new ATOM 537 N LYS A 362 -16.880 -2.010 2.373 1.00 0.20 N ATOM 538 CA LYS A 362 -15.523 -1.575 2.046 1.00 0.19 C ATOM 539 C LYS A 362 -14.487 -2.417 2.792 1.00 0.15 C ATOM 540 O LYS A 362 -13.351 -1.986 2.997 1.00 0.16 O ATOM 541 CB LYS A 362 -15.321 -0.090 2.359 1.00 0.24 C ATOM 542 CG LYS A 362 -16.321 0.822 1.671 1.00 0.33 C ATOM 543 CD LYS A 362 -15.998 1.000 0.199 1.00 0.46 C ATOM 544 CE LYS A 362 -14.682 1.731 0.005 1.00 1.22 C ATOM 545 NZ LYS A 362 -14.618 2.986 0.804 1.00 1.83 N ATOM 0 H LYS A 362 -17.342 -2.505 1.611 1.00 0.20 H new ATOM 0 HA LYS A 362 -15.384 -1.718 0.974 1.00 0.19 H new ATOM 0 HB2 LYS A 362 -15.390 0.057 3.437 1.00 0.24 H new ATOM 0 HB3 LYS A 362 -14.313 0.201 2.062 1.00 0.24 H new ATOM 0 HG2 LYS A 362 -17.324 0.408 1.776 1.00 0.33 H new ATOM 0 HG3 LYS A 362 -16.325 1.795 2.163 1.00 0.33 H new ATOM 0 HD2 LYS A 362 -15.949 0.024 -0.285 1.00 0.46 H new ATOM 0 HD3 LYS A 362 -16.800 1.556 -0.286 1.00 0.46 H new ATOM 0 HE2 LYS A 362 -13.858 1.077 0.291 1.00 1.22 H new ATOM 0 HE3 LYS A 362 -14.550 1.966 -1.051 1.00 1.22 H new ATOM 0 HZ1 LYS A 362 -13.814 3.562 0.483 1.00 1.83 H new ATOM 0 HZ2 LYS A 362 -15.500 3.523 0.678 1.00 1.83 H new ATOM 0 HZ3 LYS A 362 -14.496 2.751 1.810 1.00 1.83 H new ATOM 559 N ILE A 363 -14.885 -3.624 3.180 1.00 0.14 N ATOM 560 CA ILE A 363 -13.987 -4.555 3.855 1.00 0.13 C ATOM 561 C ILE A 363 -13.290 -5.413 2.803 1.00 0.11 C ATOM 562 O ILE A 363 -13.945 -6.146 2.055 1.00 0.14 O ATOM 563 CB ILE A 363 -14.733 -5.483 4.860 1.00 0.15 C ATOM 564 CG1 ILE A 363 -15.165 -4.757 6.146 1.00 0.19 C ATOM 565 CG2 ILE A 363 -13.846 -6.657 5.242 1.00 0.17 C ATOM 566 CD1 ILE A 363 -15.802 -3.412 5.948 1.00 0.19 C ATOM 0 H ILE A 363 -15.829 -3.982 3.038 1.00 0.14 H new ATOM 0 HA ILE A 363 -13.268 -3.969 4.427 1.00 0.13 H new ATOM 0 HB ILE A 363 -15.634 -5.823 4.350 1.00 0.15 H new ATOM 0 HG12 ILE A 363 -15.866 -5.395 6.685 1.00 0.19 H new ATOM 0 HG13 ILE A 363 -14.290 -4.634 6.784 1.00 0.19 H new ATOM 0 HG21 ILE A 363 -14.376 -7.300 5.945 1.00 0.17 H new ATOM 0 HG22 ILE A 363 -13.593 -7.227 4.348 1.00 0.17 H new ATOM 0 HG23 ILE A 363 -12.932 -6.287 5.707 1.00 0.17 H new ATOM 0 HD11 ILE A 363 -16.068 -2.989 6.917 1.00 0.19 H new ATOM 0 HD12 ILE A 363 -15.101 -2.748 5.442 1.00 0.19 H new ATOM 0 HD13 ILE A 363 -16.701 -3.521 5.341 1.00 0.19 H new ATOM 578 N PHE A 364 -11.974 -5.325 2.743 1.00 0.09 N ATOM 579 CA PHE A 364 -11.223 -5.995 1.696 1.00 0.08 C ATOM 580 C PHE A 364 -10.049 -6.767 2.289 1.00 0.08 C ATOM 581 O PHE A 364 -9.443 -6.336 3.271 1.00 0.09 O ATOM 582 CB PHE A 364 -10.741 -4.965 0.665 1.00 0.09 C ATOM 583 CG PHE A 364 -9.515 -4.199 1.077 1.00 0.09 C ATOM 584 CD1 PHE A 364 -9.590 -3.186 2.018 1.00 0.09 C ATOM 585 CD2 PHE A 364 -8.287 -4.498 0.520 1.00 0.10 C ATOM 586 CE1 PHE A 364 -8.455 -2.485 2.391 1.00 0.10 C ATOM 587 CE2 PHE A 364 -7.153 -3.803 0.887 1.00 0.10 C ATOM 588 CZ PHE A 364 -7.234 -2.796 1.822 1.00 0.10 C ATOM 0 H PHE A 364 -11.404 -4.798 3.405 1.00 0.09 H new ATOM 0 HA PHE A 364 -11.872 -6.712 1.194 1.00 0.08 H new ATOM 0 HB2 PHE A 364 -10.535 -5.478 -0.274 1.00 0.09 H new ATOM 0 HB3 PHE A 364 -11.548 -4.258 0.471 1.00 0.09 H new ATOM 0 HD1 PHE A 364 -10.542 -2.940 2.465 1.00 0.09 H new ATOM 0 HD2 PHE A 364 -8.213 -5.287 -0.213 1.00 0.10 H new ATOM 0 HE1 PHE A 364 -8.524 -1.696 3.126 1.00 0.10 H new ATOM 0 HE2 PHE A 364 -6.201 -4.049 0.440 1.00 0.10 H new ATOM 0 HZ PHE A 364 -6.347 -2.251 2.110 1.00 0.10 H new ATOM 598 N ARG A 365 -9.740 -7.911 1.700 1.00 0.08 N ATOM 599 CA ARG A 365 -8.671 -8.756 2.199 1.00 0.09 C ATOM 600 C ARG A 365 -7.490 -8.737 1.260 1.00 0.09 C ATOM 601 O ARG A 365 -7.643 -8.930 0.054 1.00 0.10 O ATOM 602 CB ARG A 365 -9.119 -10.207 2.335 1.00 0.13 C ATOM 603 CG ARG A 365 -8.017 -11.115 2.866 1.00 0.20 C ATOM 604 CD ARG A 365 -8.311 -12.590 2.638 1.00 0.26 C ATOM 605 NE ARG A 365 -9.579 -12.995 3.240 1.00 0.58 N ATOM 606 CZ ARG A 365 -10.003 -14.260 3.315 1.00 0.73 C ATOM 607 NH1 ARG A 365 -9.245 -15.249 2.854 1.00 1.04 N ATOM 608 NH2 ARG A 365 -11.189 -14.529 3.840 1.00 1.14 N ATOM 0 H ARG A 365 -10.216 -8.275 0.875 1.00 0.08 H new ATOM 0 HA ARG A 365 -8.395 -8.359 3.176 1.00 0.09 H new ATOM 0 HB2 ARG A 365 -9.979 -10.256 3.003 1.00 0.13 H new ATOM 0 HB3 ARG A 365 -9.449 -10.574 1.363 1.00 0.13 H new ATOM 0 HG2 ARG A 365 -7.075 -10.857 2.382 1.00 0.20 H new ATOM 0 HG3 ARG A 365 -7.887 -10.935 3.933 1.00 0.20 H new ATOM 0 HD2 ARG A 365 -8.337 -12.793 1.567 1.00 0.26 H new ATOM 0 HD3 ARG A 365 -7.503 -13.190 3.057 1.00 0.26 H new ATOM 0 HE ARG A 365 -10.178 -12.266 3.627 1.00 0.58 H new ATOM 0 HH11 ARG A 365 -8.335 -15.044 2.441 1.00 1.04 H new ATOM 0 HH12 ARG A 365 -9.573 -16.213 2.913 1.00 1.04 H new ATOM 0 HH21 ARG A 365 -11.777 -13.771 4.186 1.00 1.14 H new ATOM 0 HH22 ARG A 365 -11.514 -15.494 3.898 1.00 1.14 H new ATOM 622 N ILE A 366 -6.320 -8.533 1.813 1.00 0.09 N ATOM 623 CA ILE A 366 -5.102 -8.762 1.077 1.00 0.09 C ATOM 624 C ILE A 366 -4.768 -10.239 1.162 1.00 0.09 C ATOM 625 O ILE A 366 -4.544 -10.785 2.244 1.00 0.12 O ATOM 626 CB ILE A 366 -3.955 -7.878 1.589 1.00 0.10 C ATOM 627 CG1 ILE A 366 -4.208 -6.443 1.111 1.00 0.11 C ATOM 628 CG2 ILE A 366 -2.609 -8.405 1.111 1.00 0.09 C ATOM 629 CD1 ILE A 366 -3.196 -5.428 1.582 1.00 0.12 C ATOM 0 H ILE A 366 -6.185 -8.209 2.771 1.00 0.09 H new ATOM 0 HA ILE A 366 -5.244 -8.484 0.033 1.00 0.09 H new ATOM 0 HB ILE A 366 -3.924 -7.894 2.678 1.00 0.10 H new ATOM 0 HG12 ILE A 366 -4.227 -6.437 0.021 1.00 0.11 H new ATOM 0 HG13 ILE A 366 -5.197 -6.132 1.449 1.00 0.11 H new ATOM 0 HG21 ILE A 366 -1.813 -7.762 1.486 1.00 0.09 H new ATOM 0 HG22 ILE A 366 -2.463 -9.419 1.483 1.00 0.09 H new ATOM 0 HG23 ILE A 366 -2.587 -8.411 0.021 1.00 0.09 H new ATOM 0 HD11 ILE A 366 -3.459 -4.444 1.193 1.00 0.12 H new ATOM 0 HD12 ILE A 366 -3.191 -5.398 2.672 1.00 0.12 H new ATOM 0 HD13 ILE A 366 -2.206 -5.707 1.222 1.00 0.12 H new ATOM 641 N VAL A 367 -4.796 -10.876 0.011 1.00 0.10 N ATOM 642 CA VAL A 367 -4.730 -12.321 -0.088 1.00 0.12 C ATOM 643 C VAL A 367 -3.286 -12.803 -0.121 1.00 0.13 C ATOM 644 O VAL A 367 -2.912 -13.725 0.603 1.00 0.19 O ATOM 645 CB VAL A 367 -5.484 -12.790 -1.345 1.00 0.15 C ATOM 646 CG1 VAL A 367 -5.341 -14.278 -1.553 1.00 0.17 C ATOM 647 CG2 VAL A 367 -6.949 -12.414 -1.251 1.00 0.20 C ATOM 0 H VAL A 367 -4.866 -10.403 -0.890 1.00 0.10 H new ATOM 0 HA VAL A 367 -5.203 -12.751 0.795 1.00 0.12 H new ATOM 0 HB VAL A 367 -5.041 -12.288 -2.205 1.00 0.15 H new ATOM 0 HG11 VAL A 367 -5.886 -14.574 -2.449 1.00 0.17 H new ATOM 0 HG12 VAL A 367 -4.287 -14.529 -1.670 1.00 0.17 H new ATOM 0 HG13 VAL A 367 -5.747 -14.807 -0.690 1.00 0.17 H new ATOM 0 HG21 VAL A 367 -7.470 -12.752 -2.147 1.00 0.20 H new ATOM 0 HG22 VAL A 367 -7.391 -12.888 -0.374 1.00 0.20 H new ATOM 0 HG23 VAL A 367 -7.042 -11.331 -1.164 1.00 0.20 H new ATOM 657 N ASP A 368 -2.481 -12.170 -0.955 1.00 0.12 N ATOM 658 CA ASP A 368 -1.056 -12.453 -1.002 1.00 0.13 C ATOM 659 C ASP A 368 -0.297 -11.157 -0.810 1.00 0.12 C ATOM 660 O ASP A 368 -0.010 -10.441 -1.767 1.00 0.12 O ATOM 661 CB ASP A 368 -0.652 -13.111 -2.323 1.00 0.18 C ATOM 662 CG ASP A 368 0.768 -13.651 -2.291 1.00 0.25 C ATOM 663 OD1 ASP A 368 1.708 -12.840 -2.151 1.00 0.50 O ATOM 664 OD2 ASP A 368 0.956 -14.876 -2.430 1.00 0.52 O ATOM 0 H ASP A 368 -2.790 -11.454 -1.612 1.00 0.12 H new ATOM 0 HA ASP A 368 -0.813 -13.155 -0.205 1.00 0.13 H new ATOM 0 HB2 ASP A 368 -1.342 -13.925 -2.546 1.00 0.18 H new ATOM 0 HB3 ASP A 368 -0.743 -12.385 -3.130 1.00 0.18 H new ATOM 669 N PRO A 369 -0.010 -10.825 0.445 1.00 0.11 N ATOM 670 CA PRO A 369 0.619 -9.569 0.823 1.00 0.11 C ATOM 671 C PRO A 369 1.946 -9.290 0.115 1.00 0.12 C ATOM 672 O PRO A 369 2.227 -8.149 -0.252 1.00 0.14 O ATOM 673 CB PRO A 369 0.816 -9.728 2.332 1.00 0.13 C ATOM 674 CG PRO A 369 -0.257 -10.649 2.727 1.00 0.13 C ATOM 675 CD PRO A 369 -0.327 -11.636 1.622 1.00 0.13 C ATOM 0 HA PRO A 369 0.006 -8.715 0.536 1.00 0.11 H new ATOM 0 HB2 PRO A 369 1.800 -10.135 2.567 1.00 0.13 H new ATOM 0 HB3 PRO A 369 0.734 -8.772 2.850 1.00 0.13 H new ATOM 0 HG2 PRO A 369 -0.034 -11.133 3.678 1.00 0.13 H new ATOM 0 HG3 PRO A 369 -1.204 -10.124 2.851 1.00 0.13 H new ATOM 0 HD2 PRO A 369 0.387 -12.448 1.759 1.00 0.13 H new ATOM 0 HD3 PRO A 369 -1.315 -12.090 1.547 1.00 0.13 H new ATOM 683 N ASN A 370 2.755 -10.323 -0.084 1.00 0.15 N ATOM 684 CA ASN A 370 4.046 -10.146 -0.752 1.00 0.18 C ATOM 685 C ASN A 370 3.821 -9.754 -2.207 1.00 0.16 C ATOM 686 O ASN A 370 4.441 -8.822 -2.722 1.00 0.17 O ATOM 687 CB ASN A 370 4.879 -11.427 -0.698 1.00 0.25 C ATOM 688 CG ASN A 370 6.343 -11.181 -1.031 1.00 0.43 C ATOM 689 OD1 ASN A 370 6.886 -10.106 -0.763 1.00 1.13 O ATOM 690 ND2 ASN A 370 6.991 -12.171 -1.627 1.00 0.99 N ATOM 0 H ASN A 370 2.548 -11.280 0.201 1.00 0.15 H new ATOM 0 HA ASN A 370 4.590 -9.358 -0.231 1.00 0.18 H new ATOM 0 HB2 ASN A 370 4.804 -11.864 0.298 1.00 0.25 H new ATOM 0 HB3 ASN A 370 4.467 -12.155 -1.397 1.00 0.25 H new ATOM 0 HD21 ASN A 370 7.973 -12.059 -1.880 1.00 0.99 H new ATOM 0 HD22 ASN A 370 6.508 -13.046 -1.833 1.00 0.99 H new ATOM 697 N GLY A 371 2.907 -10.469 -2.855 1.00 0.16 N ATOM 698 CA GLY A 371 2.552 -10.178 -4.230 1.00 0.17 C ATOM 699 C GLY A 371 1.839 -8.850 -4.373 1.00 0.14 C ATOM 700 O GLY A 371 1.996 -8.160 -5.379 1.00 0.16 O ATOM 0 H GLY A 371 2.401 -11.254 -2.445 1.00 0.16 H new ATOM 0 HA2 GLY A 371 3.454 -10.171 -4.842 1.00 0.17 H new ATOM 0 HA3 GLY A 371 1.913 -10.974 -4.614 1.00 0.17 H new ATOM 704 N LEU A 372 1.054 -8.494 -3.363 1.00 0.13 N ATOM 705 CA LEU A 372 0.369 -7.207 -3.327 1.00 0.12 C ATOM 706 C LEU A 372 1.405 -6.083 -3.320 1.00 0.12 C ATOM 707 O LEU A 372 1.290 -5.103 -4.060 1.00 0.12 O ATOM 708 CB LEU A 372 -0.526 -7.131 -2.081 1.00 0.12 C ATOM 709 CG LEU A 372 -1.812 -6.308 -2.211 1.00 0.11 C ATOM 710 CD1 LEU A 372 -1.520 -4.840 -2.494 1.00 0.11 C ATOM 711 CD2 LEU A 372 -2.697 -6.893 -3.298 1.00 0.14 C ATOM 0 H LEU A 372 0.875 -9.085 -2.551 1.00 0.13 H new ATOM 0 HA LEU A 372 -0.261 -7.098 -4.210 1.00 0.12 H new ATOM 0 HB2 LEU A 372 -0.799 -8.147 -1.795 1.00 0.12 H new ATOM 0 HB3 LEU A 372 0.063 -6.716 -1.263 1.00 0.12 H new ATOM 0 HG LEU A 372 -2.336 -6.356 -1.256 1.00 0.11 H new ATOM 0 HD11 LEU A 372 -2.458 -4.292 -2.579 1.00 0.11 H new ATOM 0 HD12 LEU A 372 -0.929 -4.423 -1.679 1.00 0.11 H new ATOM 0 HD13 LEU A 372 -0.963 -4.753 -3.427 1.00 0.11 H new ATOM 0 HD21 LEU A 372 -3.608 -6.301 -3.383 1.00 0.14 H new ATOM 0 HD22 LEU A 372 -2.164 -6.877 -4.249 1.00 0.14 H new ATOM 0 HD23 LEU A 372 -2.954 -7.921 -3.044 1.00 0.14 H new ATOM 723 N ALA A 373 2.428 -6.251 -2.490 1.00 0.13 N ATOM 724 CA ALA A 373 3.550 -5.323 -2.447 1.00 0.16 C ATOM 725 C ALA A 373 4.254 -5.282 -3.799 1.00 0.18 C ATOM 726 O ALA A 373 4.641 -4.219 -4.272 1.00 0.22 O ATOM 727 CB ALA A 373 4.525 -5.740 -1.367 1.00 0.18 C ATOM 0 H ALA A 373 2.503 -7.028 -1.833 1.00 0.13 H new ATOM 0 HA ALA A 373 3.172 -4.326 -2.219 1.00 0.16 H new ATOM 0 HB1 ALA A 373 5.361 -5.041 -1.342 1.00 0.18 H new ATOM 0 HB2 ALA A 373 4.021 -5.738 -0.401 1.00 0.18 H new ATOM 0 HB3 ALA A 373 4.897 -6.742 -1.580 1.00 0.18 H new ATOM 733 N ARG A 374 4.421 -6.454 -4.409 1.00 0.19 N ATOM 734 CA ARG A 374 5.011 -6.558 -5.741 1.00 0.24 C ATOM 735 C ARG A 374 4.206 -5.764 -6.758 1.00 0.19 C ATOM 736 O ARG A 374 4.769 -5.074 -7.608 1.00 0.21 O ATOM 737 CB ARG A 374 5.091 -8.020 -6.167 1.00 0.33 C ATOM 738 CG ARG A 374 6.154 -8.798 -5.425 1.00 0.67 C ATOM 739 CD ARG A 374 7.550 -8.347 -5.823 1.00 0.92 C ATOM 740 NE ARG A 374 7.829 -8.598 -7.236 1.00 1.47 N ATOM 741 CZ ARG A 374 9.054 -8.621 -7.765 1.00 1.99 C ATOM 742 NH1 ARG A 374 10.123 -8.394 -7.009 1.00 2.45 N ATOM 743 NH2 ARG A 374 9.212 -8.863 -9.056 1.00 2.67 N ATOM 0 H ARG A 374 4.154 -7.349 -3.999 1.00 0.19 H new ATOM 0 HA ARG A 374 6.017 -6.141 -5.700 1.00 0.24 H new ATOM 0 HB2 ARG A 374 4.123 -8.493 -6.004 1.00 0.33 H new ATOM 0 HB3 ARG A 374 5.293 -8.070 -7.237 1.00 0.33 H new ATOM 0 HG2 ARG A 374 6.020 -8.667 -4.351 1.00 0.67 H new ATOM 0 HG3 ARG A 374 6.040 -9.862 -5.633 1.00 0.67 H new ATOM 0 HD2 ARG A 374 7.659 -7.282 -5.616 1.00 0.92 H new ATOM 0 HD3 ARG A 374 8.287 -8.867 -5.211 1.00 0.92 H new ATOM 0 HE ARG A 374 7.037 -8.766 -7.857 1.00 1.47 H new ATOM 0 HH11 ARG A 374 10.012 -8.200 -6.014 1.00 2.45 H new ATOM 0 HH12 ARG A 374 11.055 -8.414 -7.424 1.00 2.45 H new ATOM 0 HH21 ARG A 374 8.398 -9.032 -9.647 1.00 2.67 H new ATOM 0 HH22 ARG A 374 10.148 -8.881 -9.461 1.00 2.67 H new ATOM 757 N LEU A 375 2.887 -5.881 -6.672 1.00 0.17 N ATOM 758 CA LEU A 375 1.989 -5.117 -7.524 1.00 0.18 C ATOM 759 C LEU A 375 2.176 -3.620 -7.295 1.00 0.19 C ATOM 760 O LEU A 375 2.351 -2.854 -8.243 1.00 0.22 O ATOM 761 CB LEU A 375 0.533 -5.512 -7.254 1.00 0.18 C ATOM 762 CG LEU A 375 0.135 -6.913 -7.720 1.00 0.21 C ATOM 763 CD1 LEU A 375 -1.283 -7.232 -7.283 1.00 0.23 C ATOM 764 CD2 LEU A 375 0.240 -7.018 -9.228 1.00 0.26 C ATOM 0 H LEU A 375 2.414 -6.502 -6.016 1.00 0.17 H new ATOM 0 HA LEU A 375 2.228 -5.343 -8.563 1.00 0.18 H new ATOM 0 HB2 LEU A 375 0.347 -5.438 -6.183 1.00 0.18 H new ATOM 0 HB3 LEU A 375 -0.119 -4.787 -7.742 1.00 0.18 H new ATOM 0 HG LEU A 375 0.817 -7.631 -7.266 1.00 0.21 H new ATOM 0 HD11 LEU A 375 -1.552 -8.232 -7.622 1.00 0.23 H new ATOM 0 HD12 LEU A 375 -1.347 -7.188 -6.196 1.00 0.23 H new ATOM 0 HD13 LEU A 375 -1.970 -6.505 -7.717 1.00 0.23 H new ATOM 0 HD21 LEU A 375 -0.047 -8.021 -9.544 1.00 0.26 H new ATOM 0 HD22 LEU A 375 -0.424 -6.288 -9.691 1.00 0.26 H new ATOM 0 HD23 LEU A 375 1.267 -6.820 -9.536 1.00 0.26 H new ATOM 776 N TRP A 376 2.152 -3.213 -6.033 1.00 0.18 N ATOM 777 CA TRP A 376 2.301 -1.807 -5.682 1.00 0.20 C ATOM 778 C TRP A 376 3.671 -1.282 -6.114 1.00 0.25 C ATOM 779 O TRP A 376 3.774 -0.191 -6.674 1.00 0.30 O ATOM 780 CB TRP A 376 2.088 -1.604 -4.178 1.00 0.20 C ATOM 781 CG TRP A 376 2.110 -0.165 -3.773 1.00 0.20 C ATOM 782 CD1 TRP A 376 1.275 0.819 -4.214 1.00 0.20 C ATOM 783 CD2 TRP A 376 3.003 0.452 -2.842 1.00 0.24 C ATOM 784 NE1 TRP A 376 1.605 2.015 -3.626 1.00 0.23 N ATOM 785 CE2 TRP A 376 2.661 1.815 -2.778 1.00 0.26 C ATOM 786 CE3 TRP A 376 4.062 -0.014 -2.059 1.00 0.29 C ATOM 787 CZ2 TRP A 376 3.338 2.715 -1.961 1.00 0.31 C ATOM 788 CZ3 TRP A 376 4.733 0.879 -1.247 1.00 0.34 C ATOM 789 CH2 TRP A 376 4.370 2.231 -1.204 1.00 0.35 C ATOM 0 H TRP A 376 2.031 -3.837 -5.235 1.00 0.18 H new ATOM 0 HA TRP A 376 1.539 -1.238 -6.215 1.00 0.20 H new ATOM 0 HB2 TRP A 376 1.132 -2.042 -3.890 1.00 0.20 H new ATOM 0 HB3 TRP A 376 2.863 -2.141 -3.631 1.00 0.20 H new ATOM 0 HD1 TRP A 376 0.472 0.678 -4.922 1.00 0.20 H new ATOM 0 HE1 TRP A 376 1.139 2.907 -3.794 1.00 0.23 H new ATOM 0 HE3 TRP A 376 4.351 -1.054 -2.088 1.00 0.29 H new ATOM 0 HZ2 TRP A 376 3.059 3.758 -1.926 1.00 0.31 H new ATOM 0 HZ3 TRP A 376 5.551 0.529 -0.635 1.00 0.34 H new ATOM 0 HH2 TRP A 376 4.916 2.905 -0.560 1.00 0.35 H new ATOM 800 N GLY A 377 4.714 -2.072 -5.864 1.00 0.27 N ATOM 801 CA GLY A 377 6.049 -1.722 -6.321 1.00 0.33 C ATOM 802 C GLY A 377 6.091 -1.530 -7.823 1.00 0.38 C ATOM 803 O GLY A 377 6.661 -0.561 -8.317 1.00 0.41 O ATOM 0 H GLY A 377 4.657 -2.952 -5.351 1.00 0.27 H new ATOM 0 HA2 GLY A 377 6.375 -0.807 -5.827 1.00 0.33 H new ATOM 0 HA3 GLY A 377 6.750 -2.506 -6.034 1.00 0.33 H new ATOM 807 N ASN A 378 5.460 -2.456 -8.538 1.00 0.41 N ATOM 808 CA ASN A 378 5.340 -2.390 -9.996 1.00 0.50 C ATOM 809 C ASN A 378 4.761 -1.044 -10.435 1.00 0.51 C ATOM 810 O ASN A 378 5.260 -0.407 -11.367 1.00 0.62 O ATOM 811 CB ASN A 378 4.450 -3.543 -10.474 1.00 0.54 C ATOM 812 CG ASN A 378 4.081 -3.471 -11.944 1.00 0.72 C ATOM 813 OD1 ASN A 378 4.847 -2.986 -12.777 1.00 0.89 O ATOM 814 ND2 ASN A 378 2.896 -3.965 -12.271 1.00 1.06 N ATOM 0 H ASN A 378 5.016 -3.276 -8.125 1.00 0.41 H new ATOM 0 HA ASN A 378 6.329 -2.483 -10.444 1.00 0.50 H new ATOM 0 HB2 ASN A 378 4.962 -4.486 -10.285 1.00 0.54 H new ATOM 0 HB3 ASN A 378 3.536 -3.552 -9.881 1.00 0.54 H new ATOM 0 HD21 ASN A 378 2.589 -3.952 -13.244 1.00 1.06 H new ATOM 0 HD22 ASN A 378 2.291 -4.358 -11.550 1.00 1.06 H new ATOM 821 N HIS A 379 3.718 -0.611 -9.742 1.00 0.44 N ATOM 822 CA HIS A 379 3.056 0.650 -10.048 1.00 0.49 C ATOM 823 C HIS A 379 3.954 1.842 -9.710 1.00 0.53 C ATOM 824 O HIS A 379 4.013 2.819 -10.458 1.00 0.67 O ATOM 825 CB HIS A 379 1.733 0.729 -9.277 1.00 0.51 C ATOM 826 CG HIS A 379 0.948 1.988 -9.495 1.00 0.61 C ATOM 827 ND1 HIS A 379 0.250 2.207 -10.657 1.00 0.70 N ATOM 828 CD2 HIS A 379 0.752 3.032 -8.659 1.00 0.78 C ATOM 829 CE1 HIS A 379 -0.354 3.371 -10.497 1.00 0.84 C ATOM 830 NE2 HIS A 379 -0.083 3.911 -9.300 1.00 0.89 N ATOM 0 H HIS A 379 3.309 -1.119 -8.958 1.00 0.44 H new ATOM 0 HA HIS A 379 2.852 0.690 -11.118 1.00 0.49 H new ATOM 0 HB2 HIS A 379 1.113 -0.122 -9.560 1.00 0.51 H new ATOM 0 HB3 HIS A 379 1.944 0.629 -8.212 1.00 0.51 H new ATOM 0 HD2 HIS A 379 1.174 3.151 -7.672 1.00 0.78 H new ATOM 0 HE1 HIS A 379 -0.989 3.831 -11.240 1.00 0.84 H new ATOM 0 HE2 HIS A 379 -0.429 4.799 -8.938 1.00 0.89 H new ATOM 838 N LYS A 380 4.679 1.742 -8.602 1.00 0.47 N ATOM 839 CA LYS A 380 5.491 2.850 -8.115 1.00 0.55 C ATOM 840 C LYS A 380 6.920 2.762 -8.651 1.00 0.56 C ATOM 841 O LYS A 380 7.846 3.293 -8.036 1.00 0.70 O ATOM 842 CB LYS A 380 5.518 2.854 -6.586 1.00 0.62 C ATOM 843 CG LYS A 380 4.136 2.870 -5.949 1.00 0.79 C ATOM 844 CD LYS A 380 3.362 4.140 -6.270 1.00 0.75 C ATOM 845 CE LYS A 380 3.862 5.333 -5.469 1.00 0.84 C ATOM 846 NZ LYS A 380 2.805 6.369 -5.300 1.00 1.36 N ATOM 0 H LYS A 380 4.721 0.903 -8.023 1.00 0.47 H new ATOM 0 HA LYS A 380 5.042 3.776 -8.473 1.00 0.55 H new ATOM 0 HB2 LYS A 380 6.058 1.973 -6.239 1.00 0.62 H new ATOM 0 HB3 LYS A 380 6.076 3.725 -6.244 1.00 0.62 H new ATOM 0 HG2 LYS A 380 3.570 2.006 -6.296 1.00 0.79 H new ATOM 0 HG3 LYS A 380 4.236 2.773 -4.868 1.00 0.79 H new ATOM 0 HD2 LYS A 380 3.448 4.357 -7.335 1.00 0.75 H new ATOM 0 HD3 LYS A 380 2.304 3.982 -6.061 1.00 0.75 H new ATOM 0 HE2 LYS A 380 4.201 4.996 -4.489 1.00 0.84 H new ATOM 0 HE3 LYS A 380 4.724 5.772 -5.971 1.00 0.84 H new ATOM 0 HZ1 LYS A 380 3.175 7.294 -5.599 1.00 1.36 H new ATOM 0 HZ2 LYS A 380 1.980 6.121 -5.882 1.00 1.36 H new ATOM 0 HZ3 LYS A 380 2.522 6.416 -4.300 1.00 1.36 H new ATOM 860 N ASN A 381 7.076 2.082 -9.795 1.00 0.52 N ATOM 861 CA ASN A 381 8.378 1.849 -10.445 1.00 0.60 C ATOM 862 C ASN A 381 9.452 1.418 -9.443 1.00 0.59 C ATOM 863 O ASN A 381 10.608 1.841 -9.510 1.00 0.76 O ATOM 864 CB ASN A 381 8.842 3.071 -11.269 1.00 0.76 C ATOM 865 CG ASN A 381 9.019 4.359 -10.471 1.00 1.50 C ATOM 866 OD1 ASN A 381 8.102 5.179 -10.377 1.00 2.30 O ATOM 867 ND2 ASN A 381 10.201 4.554 -9.906 1.00 2.17 N ATOM 0 H ASN A 381 6.293 1.672 -10.304 1.00 0.52 H new ATOM 0 HA ASN A 381 8.231 1.023 -11.141 1.00 0.60 H new ATOM 0 HB2 ASN A 381 9.789 2.827 -11.750 1.00 0.76 H new ATOM 0 HB3 ASN A 381 8.118 3.251 -12.063 1.00 0.76 H new ATOM 0 HD21 ASN A 381 10.377 5.405 -9.372 1.00 2.17 H new ATOM 0 HD22 ASN A 381 10.936 3.853 -10.005 1.00 2.17 H new ATOM 874 N ARG A 382 9.063 0.543 -8.531 1.00 0.49 N ATOM 875 CA ARG A 382 9.933 0.114 -7.455 1.00 0.55 C ATOM 876 C ARG A 382 10.236 -1.374 -7.519 1.00 0.67 C ATOM 877 O ARG A 382 9.456 -2.167 -8.047 1.00 0.79 O ATOM 878 CB ARG A 382 9.302 0.465 -6.109 1.00 0.51 C ATOM 879 CG ARG A 382 9.446 1.926 -5.762 1.00 0.70 C ATOM 880 CD ARG A 382 10.907 2.338 -5.789 1.00 1.09 C ATOM 881 NE ARG A 382 11.100 3.775 -5.616 1.00 1.88 N ATOM 882 CZ ARG A 382 12.272 4.385 -5.790 1.00 2.39 C ATOM 883 NH1 ARG A 382 13.325 3.692 -6.206 1.00 2.40 N ATOM 884 NH2 ARG A 382 12.386 5.688 -5.577 1.00 3.26 N ATOM 0 H ARG A 382 8.138 0.113 -8.517 1.00 0.49 H new ATOM 0 HA ARG A 382 10.880 0.641 -7.567 1.00 0.55 H new ATOM 0 HB2 ARG A 382 8.244 0.203 -6.129 1.00 0.51 H new ATOM 0 HB3 ARG A 382 9.765 -0.137 -5.327 1.00 0.51 H new ATOM 0 HG2 ARG A 382 8.878 2.531 -6.469 1.00 0.70 H new ATOM 0 HG3 ARG A 382 9.027 2.114 -4.773 1.00 0.70 H new ATOM 0 HD2 ARG A 382 11.442 1.808 -5.001 1.00 1.09 H new ATOM 0 HD3 ARG A 382 11.348 2.030 -6.737 1.00 1.09 H new ATOM 0 HE ARG A 382 10.295 4.342 -5.348 1.00 1.88 H new ATOM 0 HH11 ARG A 382 13.237 2.693 -6.392 1.00 2.40 H new ATOM 0 HH12 ARG A 382 14.222 4.158 -6.339 1.00 2.40 H new ATOM 0 HH21 ARG A 382 11.574 6.229 -5.278 1.00 3.26 H new ATOM 0 HH22 ARG A 382 13.285 6.150 -5.712 1.00 3.26 H new ATOM 943 N THR A 386 8.243 -5.648 -0.636 1.00 0.33 N ATOM 944 CA THR A 386 7.679 -6.691 0.193 1.00 0.28 C ATOM 945 C THR A 386 6.623 -6.055 1.091 1.00 0.21 C ATOM 946 O THR A 386 6.688 -4.845 1.298 1.00 0.24 O ATOM 947 CB THR A 386 8.793 -7.358 1.027 1.00 0.33 C ATOM 948 OG1 THR A 386 9.553 -8.264 0.218 1.00 0.54 O ATOM 949 CG2 THR A 386 8.234 -8.074 2.232 1.00 0.26 C ATOM 0 HA THR A 386 7.218 -7.467 -0.418 1.00 0.28 H new ATOM 0 HB THR A 386 9.452 -6.567 1.386 1.00 0.33 H new ATOM 0 HG1 THR A 386 10.256 -8.677 0.762 1.00 0.54 H new ATOM 0 HG21 THR A 386 9.049 -8.531 2.794 1.00 0.26 H new ATOM 0 HG22 THR A 386 7.709 -7.361 2.868 1.00 0.26 H new ATOM 0 HG23 THR A 386 7.540 -8.848 1.906 1.00 0.26 H new ATOM 957 N TYR A 387 5.644 -6.814 1.595 1.00 0.19 N ATOM 958 CA TYR A 387 4.544 -6.200 2.340 1.00 0.17 C ATOM 959 C TYR A 387 5.064 -5.339 3.490 1.00 0.16 C ATOM 960 O TYR A 387 4.499 -4.286 3.772 1.00 0.18 O ATOM 961 CB TYR A 387 3.550 -7.227 2.868 1.00 0.19 C ATOM 962 CG TYR A 387 2.248 -6.573 3.257 1.00 0.20 C ATOM 963 CD1 TYR A 387 2.124 -5.908 4.468 1.00 0.21 C ATOM 964 CD2 TYR A 387 1.156 -6.593 2.405 1.00 0.22 C ATOM 965 CE1 TYR A 387 0.949 -5.285 4.816 1.00 0.24 C ATOM 966 CE2 TYR A 387 -0.021 -5.975 2.749 1.00 0.25 C ATOM 967 CZ TYR A 387 -0.119 -5.322 3.953 1.00 0.26 C ATOM 968 OH TYR A 387 -1.289 -4.705 4.297 1.00 0.30 O ATOM 0 H TYR A 387 5.591 -7.829 1.504 1.00 0.19 H new ATOM 0 HA TYR A 387 4.016 -5.563 1.631 1.00 0.17 H new ATOM 0 HB2 TYR A 387 3.366 -7.985 2.106 1.00 0.19 H new ATOM 0 HB3 TYR A 387 3.975 -7.739 3.731 1.00 0.19 H new ATOM 0 HD1 TYR A 387 2.963 -5.879 5.148 1.00 0.21 H new ATOM 0 HD2 TYR A 387 1.231 -7.102 1.456 1.00 0.22 H new ATOM 0 HE1 TYR A 387 0.866 -4.770 5.762 1.00 0.24 H new ATOM 0 HE2 TYR A 387 -0.865 -6.002 2.076 1.00 0.25 H new ATOM 0 HH TYR A 387 -2.017 -5.361 4.296 1.00 0.30 H new ATOM 978 N GLU A 388 6.151 -5.770 4.130 1.00 0.20 N ATOM 979 CA GLU A 388 6.809 -4.970 5.155 1.00 0.26 C ATOM 980 C GLU A 388 7.032 -3.560 4.627 1.00 0.25 C ATOM 981 O GLU A 388 6.587 -2.567 5.199 1.00 0.31 O ATOM 982 CB GLU A 388 8.177 -5.543 5.483 1.00 0.38 C ATOM 983 CG GLU A 388 8.278 -7.049 5.536 1.00 1.00 C ATOM 984 CD GLU A 388 9.722 -7.483 5.658 1.00 1.78 C ATOM 985 OE1 GLU A 388 10.436 -7.461 4.631 1.00 2.37 O ATOM 986 OE2 GLU A 388 10.155 -7.803 6.783 1.00 2.34 O ATOM 0 H GLU A 388 6.593 -6.672 3.954 1.00 0.20 H new ATOM 0 HA GLU A 388 6.176 -4.970 6.042 1.00 0.26 H new ATOM 0 HB2 GLU A 388 8.887 -5.179 4.741 1.00 0.38 H new ATOM 0 HB3 GLU A 388 8.492 -5.145 6.448 1.00 0.38 H new ATOM 0 HG2 GLU A 388 7.706 -7.427 6.383 1.00 1.00 H new ATOM 0 HG3 GLU A 388 7.838 -7.480 4.637 1.00 1.00 H new ATOM 993 N LYS A 389 7.714 -3.520 3.502 1.00 0.24 N ATOM 994 CA LYS A 389 8.059 -2.306 2.807 1.00 0.28 C ATOM 995 C LYS A 389 6.818 -1.565 2.288 1.00 0.26 C ATOM 996 O LYS A 389 6.819 -0.341 2.197 1.00 0.32 O ATOM 997 CB LYS A 389 9.015 -2.697 1.682 1.00 0.34 C ATOM 998 CG LYS A 389 10.318 -3.263 2.225 1.00 0.46 C ATOM 999 CD LYS A 389 10.756 -4.509 1.475 1.00 0.52 C ATOM 1000 CE LYS A 389 12.025 -5.109 2.070 1.00 0.72 C ATOM 1001 NZ LYS A 389 11.880 -5.462 3.513 1.00 1.62 N ATOM 0 H LYS A 389 8.053 -4.361 3.034 1.00 0.24 H new ATOM 0 HA LYS A 389 8.541 -1.601 3.484 1.00 0.28 H new ATOM 0 HB2 LYS A 389 8.537 -3.436 1.038 1.00 0.34 H new ATOM 0 HB3 LYS A 389 9.226 -1.824 1.064 1.00 0.34 H new ATOM 0 HG2 LYS A 389 11.099 -2.505 2.156 1.00 0.46 H new ATOM 0 HG3 LYS A 389 10.197 -3.500 3.282 1.00 0.46 H new ATOM 0 HD2 LYS A 389 9.956 -5.249 1.501 1.00 0.52 H new ATOM 0 HD3 LYS A 389 10.927 -4.262 0.427 1.00 0.52 H new ATOM 0 HE2 LYS A 389 12.296 -6.003 1.508 1.00 0.72 H new ATOM 0 HE3 LYS A 389 12.845 -4.400 1.955 1.00 0.72 H new ATOM 0 HZ1 LYS A 389 12.749 -5.927 3.846 1.00 1.62 H new ATOM 0 HZ2 LYS A 389 11.716 -4.597 4.067 1.00 1.62 H new ATOM 0 HZ3 LYS A 389 11.074 -6.108 3.633 1.00 1.62 H new ATOM 1015 N MET A 390 5.760 -2.307 1.967 1.00 0.19 N ATOM 1016 CA MET A 390 4.531 -1.716 1.462 1.00 0.20 C ATOM 1017 C MET A 390 3.694 -1.118 2.601 1.00 0.20 C ATOM 1018 O MET A 390 3.077 -0.061 2.448 1.00 0.22 O ATOM 1019 CB MET A 390 3.723 -2.772 0.706 1.00 0.18 C ATOM 1020 CG MET A 390 2.264 -2.795 1.097 1.00 0.23 C ATOM 1021 SD MET A 390 1.269 -3.875 0.055 1.00 0.68 S ATOM 1022 CE MET A 390 -0.376 -3.351 0.529 1.00 1.18 C ATOM 0 H MET A 390 5.734 -3.323 2.050 1.00 0.19 H new ATOM 0 HA MET A 390 4.793 -0.906 0.781 1.00 0.20 H new ATOM 0 HB2 MET A 390 3.803 -2.584 -0.365 1.00 0.18 H new ATOM 0 HB3 MET A 390 4.158 -3.754 0.891 1.00 0.18 H new ATOM 0 HG2 MET A 390 2.177 -3.120 2.134 1.00 0.23 H new ATOM 0 HG3 MET A 390 1.865 -1.782 1.046 1.00 0.23 H new ATOM 0 HE1 MET A 390 -1.114 -4.007 0.067 1.00 1.18 H new ATOM 0 HE2 MET A 390 -0.475 -3.400 1.613 1.00 1.18 H new ATOM 0 HE3 MET A 390 -0.542 -2.327 0.195 1.00 1.18 H new ATOM 1032 N SER A 391 3.687 -1.801 3.748 1.00 0.20 N ATOM 1033 CA SER A 391 2.870 -1.408 4.896 1.00 0.21 C ATOM 1034 C SER A 391 3.256 -0.026 5.401 1.00 0.18 C ATOM 1035 O SER A 391 2.472 0.645 6.069 1.00 0.18 O ATOM 1036 CB SER A 391 3.003 -2.431 6.029 1.00 0.26 C ATOM 1037 OG SER A 391 4.323 -2.473 6.550 1.00 0.64 O ATOM 0 H SER A 391 4.246 -2.639 3.906 1.00 0.20 H new ATOM 0 HA SER A 391 1.832 -1.376 4.565 1.00 0.21 H new ATOM 0 HB2 SER A 391 2.305 -2.181 6.828 1.00 0.26 H new ATOM 0 HB3 SER A 391 2.726 -3.419 5.661 1.00 0.26 H new ATOM 0 HG SER A 391 4.943 -2.758 5.847 1.00 0.64 H new ATOM 1043 N ARG A 392 4.471 0.383 5.074 1.00 0.19 N ATOM 1044 CA ARG A 392 4.978 1.688 5.474 1.00 0.20 C ATOM 1045 C ARG A 392 4.095 2.803 4.911 1.00 0.19 C ATOM 1046 O ARG A 392 3.884 3.825 5.561 1.00 0.23 O ATOM 1047 CB ARG A 392 6.422 1.860 5.003 1.00 0.24 C ATOM 1048 CG ARG A 392 7.411 0.914 5.662 1.00 0.52 C ATOM 1049 CD ARG A 392 7.604 1.244 7.125 1.00 0.67 C ATOM 1050 NE ARG A 392 8.028 2.628 7.330 1.00 1.31 N ATOM 1051 CZ ARG A 392 8.098 3.215 8.525 1.00 1.66 C ATOM 1052 NH1 ARG A 392 7.792 2.540 9.627 1.00 1.88 N ATOM 1053 NH2 ARG A 392 8.492 4.475 8.621 1.00 2.48 N ATOM 0 H ARG A 392 5.129 -0.173 4.529 1.00 0.19 H new ATOM 0 HA ARG A 392 4.956 1.751 6.562 1.00 0.20 H new ATOM 0 HB2 ARG A 392 6.460 1.712 3.924 1.00 0.24 H new ATOM 0 HB3 ARG A 392 6.735 2.886 5.196 1.00 0.24 H new ATOM 0 HG2 ARG A 392 7.056 -0.112 5.563 1.00 0.52 H new ATOM 0 HG3 ARG A 392 8.369 0.971 5.146 1.00 0.52 H new ATOM 0 HD2 ARG A 392 6.671 1.069 7.661 1.00 0.67 H new ATOM 0 HD3 ARG A 392 8.348 0.571 7.552 1.00 0.67 H new ATOM 0 HE ARG A 392 8.286 3.177 6.510 1.00 1.31 H new ATOM 0 HH11 ARG A 392 7.501 1.565 9.563 1.00 1.88 H new ATOM 0 HH12 ARG A 392 7.848 2.997 10.537 1.00 1.88 H new ATOM 0 HH21 ARG A 392 8.742 4.997 7.781 1.00 2.48 H new ATOM 0 HH22 ARG A 392 8.546 4.924 9.535 1.00 2.48 H new ATOM 1067 N ALA A 393 3.558 2.588 3.709 1.00 0.16 N ATOM 1068 CA ALA A 393 2.632 3.543 3.110 1.00 0.16 C ATOM 1069 C ALA A 393 1.276 3.467 3.821 1.00 0.16 C ATOM 1070 O ALA A 393 0.640 4.485 4.089 1.00 0.19 O ATOM 1071 CB ALA A 393 2.473 3.281 1.615 1.00 0.19 C ATOM 0 H ALA A 393 3.748 1.766 3.136 1.00 0.16 H new ATOM 0 HA ALA A 393 3.038 4.547 3.231 1.00 0.16 H new ATOM 0 HB1 ALA A 393 1.778 4.005 1.191 1.00 0.19 H new ATOM 0 HB2 ALA A 393 3.441 3.376 1.124 1.00 0.19 H new ATOM 0 HB3 ALA A 393 2.086 2.274 1.461 1.00 0.19 H new ATOM 1077 N LEU A 394 0.865 2.242 4.149 1.00 0.15 N ATOM 1078 CA LEU A 394 -0.404 1.986 4.836 1.00 0.18 C ATOM 1079 C LEU A 394 -0.423 2.581 6.239 1.00 0.18 C ATOM 1080 O LEU A 394 -1.486 2.916 6.760 1.00 0.20 O ATOM 1081 CB LEU A 394 -0.666 0.481 4.928 1.00 0.22 C ATOM 1082 CG LEU A 394 -1.022 -0.206 3.614 1.00 0.25 C ATOM 1083 CD1 LEU A 394 -0.981 -1.712 3.782 1.00 0.35 C ATOM 1084 CD2 LEU A 394 -2.400 0.234 3.147 1.00 0.24 C ATOM 0 H LEU A 394 1.401 1.398 3.947 1.00 0.15 H new ATOM 0 HA LEU A 394 -1.187 2.466 4.249 1.00 0.18 H new ATOM 0 HB2 LEU A 394 0.221 0.000 5.340 1.00 0.22 H new ATOM 0 HB3 LEU A 394 -1.477 0.314 5.636 1.00 0.22 H new ATOM 0 HG LEU A 394 -0.290 0.081 2.860 1.00 0.25 H new ATOM 0 HD11 LEU A 394 -1.237 -2.191 2.837 1.00 0.35 H new ATOM 0 HD12 LEU A 394 0.021 -2.017 4.084 1.00 0.35 H new ATOM 0 HD13 LEU A 394 -1.697 -2.012 4.547 1.00 0.35 H new ATOM 0 HD21 LEU A 394 -2.642 -0.264 2.208 1.00 0.24 H new ATOM 0 HD22 LEU A 394 -3.142 -0.032 3.900 1.00 0.24 H new ATOM 0 HD23 LEU A 394 -2.406 1.314 2.997 1.00 0.24 H new ATOM 1096 N ARG A 395 0.746 2.684 6.857 1.00 0.20 N ATOM 1097 CA ARG A 395 0.852 3.178 8.222 1.00 0.26 C ATOM 1098 C ARG A 395 0.250 4.576 8.354 1.00 0.21 C ATOM 1099 O ARG A 395 -0.402 4.888 9.352 1.00 0.22 O ATOM 1100 CB ARG A 395 2.313 3.190 8.672 1.00 0.36 C ATOM 1101 CG ARG A 395 2.465 3.199 10.181 1.00 0.94 C ATOM 1102 CD ARG A 395 1.931 1.909 10.781 1.00 0.94 C ATOM 1103 NE ARG A 395 1.686 2.026 12.216 1.00 1.59 N ATOM 1104 CZ ARG A 395 1.333 1.009 13.000 1.00 1.91 C ATOM 1105 NH1 ARG A 395 1.193 -0.215 12.500 1.00 1.87 N ATOM 1106 NH2 ARG A 395 1.109 1.221 14.287 1.00 2.78 N ATOM 0 H ARG A 395 1.638 2.431 6.432 1.00 0.20 H new ATOM 0 HA ARG A 395 0.287 2.504 8.866 1.00 0.26 H new ATOM 0 HB2 ARG A 395 2.820 2.315 8.266 1.00 0.36 H new ATOM 0 HB3 ARG A 395 2.809 4.067 8.257 1.00 0.36 H new ATOM 0 HG2 ARG A 395 3.515 3.322 10.445 1.00 0.94 H new ATOM 0 HG3 ARG A 395 1.929 4.050 10.601 1.00 0.94 H new ATOM 0 HD2 ARG A 395 1.004 1.633 10.278 1.00 0.94 H new ATOM 0 HD3 ARG A 395 2.644 1.104 10.601 1.00 0.94 H new ATOM 0 HE ARG A 395 1.792 2.945 12.645 1.00 1.59 H new ATOM 0 HH11 ARG A 395 1.356 -0.382 11.507 1.00 1.87 H new ATOM 0 HH12 ARG A 395 0.922 -0.987 13.109 1.00 1.87 H new ATOM 0 HH21 ARG A 395 1.207 2.160 14.674 1.00 2.78 H new ATOM 0 HH22 ARG A 395 0.838 0.446 14.892 1.00 2.78 H new ATOM 1120 N HIS A 396 0.452 5.402 7.336 1.00 0.20 N ATOM 1121 CA HIS A 396 -0.096 6.751 7.331 1.00 0.19 C ATOM 1122 C HIS A 396 -1.604 6.710 7.147 1.00 0.16 C ATOM 1123 O HIS A 396 -2.329 7.538 7.698 1.00 0.22 O ATOM 1124 CB HIS A 396 0.570 7.596 6.245 1.00 0.24 C ATOM 1125 CG HIS A 396 2.019 7.842 6.521 1.00 0.58 C ATOM 1126 ND1 HIS A 396 2.423 8.806 7.412 1.00 1.29 N ATOM 1127 CD2 HIS A 396 3.109 7.196 6.045 1.00 0.53 C ATOM 1128 CE1 HIS A 396 3.739 8.723 7.464 1.00 1.63 C ATOM 1129 NE2 HIS A 396 4.201 7.761 6.653 1.00 1.17 N ATOM 0 H HIS A 396 0.991 5.161 6.504 1.00 0.20 H new ATOM 0 HA HIS A 396 0.114 7.217 8.294 1.00 0.19 H new ATOM 0 HB2 HIS A 396 0.467 7.094 5.283 1.00 0.24 H new ATOM 0 HB3 HIS A 396 0.051 8.551 6.163 1.00 0.24 H new ATOM 0 HD1 HIS A 396 1.828 9.454 7.928 1.00 1.29 H new ATOM 0 HD2 HIS A 396 3.117 6.391 5.325 1.00 0.53 H new ATOM 0 HE1 HIS A 396 4.364 9.351 8.082 1.00 1.63 H new ATOM 1137 N TYR A 397 -2.075 5.705 6.414 1.00 0.15 N ATOM 1138 CA TYR A 397 -3.499 5.560 6.128 1.00 0.15 C ATOM 1139 C TYR A 397 -4.286 5.323 7.416 1.00 0.18 C ATOM 1140 O TYR A 397 -5.474 5.636 7.492 1.00 0.19 O ATOM 1141 CB TYR A 397 -3.750 4.395 5.159 1.00 0.18 C ATOM 1142 CG TYR A 397 -3.212 4.617 3.763 1.00 0.16 C ATOM 1143 CD1 TYR A 397 -2.266 5.599 3.493 1.00 0.20 C ATOM 1144 CD2 TYR A 397 -3.662 3.842 2.706 1.00 0.26 C ATOM 1145 CE1 TYR A 397 -1.799 5.806 2.218 1.00 0.22 C ATOM 1146 CE2 TYR A 397 -3.194 4.037 1.431 1.00 0.32 C ATOM 1147 CZ TYR A 397 -2.264 5.024 1.187 1.00 0.25 C ATOM 1148 OH TYR A 397 -1.830 5.240 -0.097 1.00 0.35 O ATOM 0 H TYR A 397 -1.489 4.977 6.006 1.00 0.15 H new ATOM 0 HA TYR A 397 -3.837 6.486 5.664 1.00 0.15 H new ATOM 0 HB2 TYR A 397 -3.298 3.492 5.570 1.00 0.18 H new ATOM 0 HB3 TYR A 397 -4.823 4.214 5.097 1.00 0.18 H new ATOM 0 HD1 TYR A 397 -1.891 6.210 4.301 1.00 0.20 H new ATOM 0 HD2 TYR A 397 -4.395 3.070 2.889 1.00 0.26 H new ATOM 0 HE1 TYR A 397 -1.070 6.579 2.026 1.00 0.22 H new ATOM 0 HE2 TYR A 397 -3.553 3.419 0.621 1.00 0.32 H new ATOM 0 HH TYR A 397 -0.980 5.727 -0.077 1.00 0.35 H new ATOM 1158 N TYR A 398 -3.607 4.765 8.419 1.00 0.24 N ATOM 1159 CA TYR A 398 -4.218 4.506 9.719 1.00 0.29 C ATOM 1160 C TYR A 398 -4.583 5.808 10.411 1.00 0.31 C ATOM 1161 O TYR A 398 -5.602 5.902 11.095 1.00 0.39 O ATOM 1162 CB TYR A 398 -3.273 3.697 10.610 1.00 0.33 C ATOM 1163 CG TYR A 398 -3.030 2.291 10.116 1.00 0.35 C ATOM 1164 CD1 TYR A 398 -4.062 1.546 9.569 1.00 0.41 C ATOM 1165 CD2 TYR A 398 -1.774 1.706 10.202 1.00 0.43 C ATOM 1166 CE1 TYR A 398 -3.856 0.262 9.117 1.00 0.48 C ATOM 1167 CE2 TYR A 398 -1.557 0.417 9.754 1.00 0.49 C ATOM 1168 CZ TYR A 398 -2.603 -0.301 9.211 1.00 0.50 C ATOM 1169 OH TYR A 398 -2.395 -1.587 8.767 1.00 0.60 O ATOM 0 H TYR A 398 -2.629 4.483 8.353 1.00 0.24 H new ATOM 0 HA TYR A 398 -5.127 3.928 9.551 1.00 0.29 H new ATOM 0 HB2 TYR A 398 -2.318 4.218 10.680 1.00 0.33 H new ATOM 0 HB3 TYR A 398 -3.687 3.653 11.618 1.00 0.33 H new ATOM 0 HD1 TYR A 398 -5.048 1.981 9.496 1.00 0.41 H new ATOM 0 HD2 TYR A 398 -0.954 2.267 10.626 1.00 0.43 H new ATOM 0 HE1 TYR A 398 -4.673 -0.301 8.691 1.00 0.48 H new ATOM 0 HE2 TYR A 398 -0.575 -0.026 9.828 1.00 0.49 H new ATOM 0 HH TYR A 398 -1.470 -1.680 8.456 1.00 0.60 H new ATOM 1179 N LYS A 399 -3.751 6.817 10.215 1.00 0.28 N ATOM 1180 CA LYS A 399 -3.944 8.103 10.861 1.00 0.32 C ATOM 1181 C LYS A 399 -4.892 8.945 10.037 1.00 0.29 C ATOM 1182 O LYS A 399 -5.619 9.797 10.551 1.00 0.31 O ATOM 1183 CB LYS A 399 -2.603 8.809 11.005 1.00 0.37 C ATOM 1184 CG LYS A 399 -1.494 7.894 11.510 1.00 0.53 C ATOM 1185 CD LYS A 399 -1.935 7.076 12.717 1.00 0.68 C ATOM 1186 CE LYS A 399 -2.266 7.958 13.910 1.00 1.31 C ATOM 1187 NZ LYS A 399 -2.885 7.182 15.013 1.00 1.98 N ATOM 0 H LYS A 399 -2.931 6.769 9.610 1.00 0.28 H new ATOM 0 HA LYS A 399 -4.372 7.954 11.852 1.00 0.32 H new ATOM 0 HB2 LYS A 399 -2.312 9.223 10.040 1.00 0.37 H new ATOM 0 HB3 LYS A 399 -2.713 9.648 11.692 1.00 0.37 H new ATOM 0 HG2 LYS A 399 -1.186 7.222 10.709 1.00 0.53 H new ATOM 0 HG3 LYS A 399 -0.623 8.493 11.776 1.00 0.53 H new ATOM 0 HD2 LYS A 399 -2.809 6.481 12.452 1.00 0.68 H new ATOM 0 HD3 LYS A 399 -1.144 6.377 12.990 1.00 0.68 H new ATOM 0 HE2 LYS A 399 -1.357 8.439 14.270 1.00 1.31 H new ATOM 0 HE3 LYS A 399 -2.945 8.752 13.598 1.00 1.31 H new ATOM 0 HZ1 LYS A 399 -3.096 7.818 15.809 1.00 1.98 H new ATOM 0 HZ2 LYS A 399 -3.766 6.743 14.677 1.00 1.98 H new ATOM 0 HZ3 LYS A 399 -2.227 6.441 15.328 1.00 1.98 H new ATOM 1201 N LEU A 400 -4.864 8.688 8.744 1.00 0.25 N ATOM 1202 CA LEU A 400 -5.764 9.314 7.800 1.00 0.23 C ATOM 1203 C LEU A 400 -7.136 8.683 7.861 1.00 0.22 C ATOM 1204 O LEU A 400 -8.062 9.122 7.178 1.00 0.26 O ATOM 1205 CB LEU A 400 -5.211 9.132 6.404 1.00 0.22 C ATOM 1206 CG LEU A 400 -3.843 9.735 6.183 1.00 0.25 C ATOM 1207 CD1 LEU A 400 -3.138 9.048 5.041 1.00 0.23 C ATOM 1208 CD2 LEU A 400 -3.996 11.197 5.896 1.00 0.36 C ATOM 0 H LEU A 400 -4.209 8.033 8.317 1.00 0.25 H new ATOM 0 HA LEU A 400 -5.851 10.371 8.051 1.00 0.23 H new ATOM 0 HB2 LEU A 400 -5.163 8.066 6.183 1.00 0.22 H new ATOM 0 HB3 LEU A 400 -5.907 9.574 5.692 1.00 0.22 H new ATOM 0 HG LEU A 400 -3.240 9.599 7.081 1.00 0.25 H new ATOM 0 HD11 LEU A 400 -2.155 9.496 4.898 1.00 0.23 H new ATOM 0 HD12 LEU A 400 -3.024 7.988 5.269 1.00 0.23 H new ATOM 0 HD13 LEU A 400 -3.725 9.162 4.130 1.00 0.23 H new ATOM 0 HD21 LEU A 400 -3.014 11.641 5.735 1.00 0.36 H new ATOM 0 HD22 LEU A 400 -4.605 11.331 5.002 1.00 0.36 H new ATOM 0 HD23 LEU A 400 -4.481 11.685 6.742 1.00 0.36 H new ATOM 1220 N ASN A 401 -7.231 7.620 8.673 1.00 0.22 N ATOM 1221 CA ASN A 401 -8.440 6.812 8.818 1.00 0.24 C ATOM 1222 C ASN A 401 -9.026 6.470 7.451 1.00 0.19 C ATOM 1223 O ASN A 401 -10.234 6.496 7.241 1.00 0.23 O ATOM 1224 CB ASN A 401 -9.474 7.460 9.769 1.00 0.33 C ATOM 1225 CG ASN A 401 -9.707 8.942 9.542 1.00 1.01 C ATOM 1226 OD1 ASN A 401 -10.601 9.337 8.796 1.00 1.77 O ATOM 1227 ND2 ASN A 401 -8.892 9.773 10.180 1.00 1.24 N ATOM 0 H ASN A 401 -6.457 7.297 9.253 1.00 0.22 H new ATOM 0 HA ASN A 401 -8.158 5.874 9.295 1.00 0.24 H new ATOM 0 HB2 ASN A 401 -10.424 6.937 9.661 1.00 0.33 H new ATOM 0 HB3 ASN A 401 -9.144 7.312 10.797 1.00 0.33 H new ATOM 0 HD21 ASN A 401 -8.995 10.781 10.060 1.00 1.24 H new ATOM 0 HD22 ASN A 401 -8.163 9.404 10.790 1.00 1.24 H new ATOM 1234 N ILE A 402 -8.127 6.170 6.517 1.00 0.15 N ATOM 1235 CA ILE A 402 -8.494 5.700 5.191 1.00 0.13 C ATOM 1236 C ILE A 402 -8.695 4.201 5.237 1.00 0.13 C ATOM 1237 O ILE A 402 -9.654 3.665 4.686 1.00 0.15 O ATOM 1238 CB ILE A 402 -7.383 6.025 4.167 1.00 0.12 C ATOM 1239 CG1 ILE A 402 -7.223 7.539 4.037 1.00 0.13 C ATOM 1240 CG2 ILE A 402 -7.678 5.386 2.810 1.00 0.15 C ATOM 1241 CD1 ILE A 402 -5.985 7.955 3.277 1.00 0.14 C ATOM 0 H ILE A 402 -7.120 6.248 6.663 1.00 0.15 H new ATOM 0 HA ILE A 402 -9.412 6.201 4.884 1.00 0.13 H new ATOM 0 HB ILE A 402 -6.445 5.604 4.528 1.00 0.12 H new ATOM 0 HG12 ILE A 402 -8.101 7.947 3.536 1.00 0.13 H new ATOM 0 HG13 ILE A 402 -7.192 7.979 5.034 1.00 0.13 H new ATOM 0 HG21 ILE A 402 -6.879 5.632 2.111 1.00 0.15 H new ATOM 0 HG22 ILE A 402 -7.740 4.304 2.923 1.00 0.15 H new ATOM 0 HG23 ILE A 402 -8.625 5.766 2.427 1.00 0.15 H new ATOM 0 HD11 ILE A 402 -5.938 9.043 3.225 1.00 0.14 H new ATOM 0 HD12 ILE A 402 -5.100 7.578 3.789 1.00 0.14 H new ATOM 0 HD13 ILE A 402 -6.023 7.545 2.268 1.00 0.14 H new ATOM 1253 N ILE A 403 -7.784 3.543 5.929 1.00 0.14 N ATOM 1254 CA ILE A 403 -7.765 2.102 6.015 1.00 0.14 C ATOM 1255 C ILE A 403 -7.444 1.679 7.435 1.00 0.17 C ATOM 1256 O ILE A 403 -6.539 2.228 8.059 1.00 0.26 O ATOM 1257 CB ILE A 403 -6.705 1.511 5.060 1.00 0.16 C ATOM 1258 CG1 ILE A 403 -7.094 1.759 3.604 1.00 0.16 C ATOM 1259 CG2 ILE A 403 -6.510 0.024 5.316 1.00 0.18 C ATOM 1260 CD1 ILE A 403 -5.998 1.418 2.623 1.00 0.20 C ATOM 0 H ILE A 403 -7.034 3.999 6.449 1.00 0.14 H new ATOM 0 HA ILE A 403 -8.748 1.728 5.728 1.00 0.14 H new ATOM 0 HB ILE A 403 -5.758 2.015 5.254 1.00 0.16 H new ATOM 0 HG12 ILE A 403 -7.980 1.169 3.367 1.00 0.16 H new ATOM 0 HG13 ILE A 403 -7.367 2.807 3.482 1.00 0.16 H new ATOM 0 HG21 ILE A 403 -5.759 -0.368 4.630 1.00 0.18 H new ATOM 0 HG22 ILE A 403 -6.178 -0.128 6.343 1.00 0.18 H new ATOM 0 HG23 ILE A 403 -7.453 -0.499 5.158 1.00 0.18 H new ATOM 0 HD11 ILE A 403 -6.343 1.618 1.608 1.00 0.20 H new ATOM 0 HD12 ILE A 403 -5.118 2.026 2.834 1.00 0.20 H new ATOM 0 HD13 ILE A 403 -5.741 0.363 2.717 1.00 0.20 H new ATOM 1272 N ARG A 404 -8.202 0.733 7.946 1.00 0.14 N ATOM 1273 CA ARG A 404 -7.904 0.136 9.234 1.00 0.18 C ATOM 1274 C ARG A 404 -7.848 -1.367 9.070 1.00 0.20 C ATOM 1275 O ARG A 404 -8.412 -1.906 8.121 1.00 0.28 O ATOM 1276 CB ARG A 404 -8.970 0.496 10.272 1.00 0.27 C ATOM 1277 CG ARG A 404 -10.284 -0.216 10.078 1.00 0.45 C ATOM 1278 CD ARG A 404 -10.925 -0.504 11.418 1.00 0.76 C ATOM 1279 NE ARG A 404 -12.173 -1.253 11.289 1.00 1.16 N ATOM 1280 CZ ARG A 404 -13.257 -1.046 12.032 1.00 1.23 C ATOM 1281 NH1 ARG A 404 -13.313 -0.026 12.876 1.00 1.04 N ATOM 1282 NH2 ARG A 404 -14.298 -1.856 11.901 1.00 2.08 N ATOM 0 H ARG A 404 -9.033 0.358 7.489 1.00 0.14 H new ATOM 0 HA ARG A 404 -6.947 0.520 9.586 1.00 0.18 H new ATOM 0 HB2 ARG A 404 -8.587 0.264 11.266 1.00 0.27 H new ATOM 0 HB3 ARG A 404 -9.144 1.572 10.240 1.00 0.27 H new ATOM 0 HG2 ARG A 404 -10.951 0.396 9.471 1.00 0.45 H new ATOM 0 HG3 ARG A 404 -10.124 -1.148 9.535 1.00 0.45 H new ATOM 0 HD2 ARG A 404 -10.228 -1.069 12.037 1.00 0.76 H new ATOM 0 HD3 ARG A 404 -11.120 0.436 11.934 1.00 0.76 H new ATOM 0 HE ARG A 404 -12.216 -1.985 10.580 1.00 1.16 H new ATOM 0 HH11 ARG A 404 -12.520 0.610 12.961 1.00 1.04 H new ATOM 0 HH12 ARG A 404 -14.149 0.123 13.441 1.00 1.04 H new ATOM 0 HH21 ARG A 404 -14.263 -2.628 11.236 1.00 2.08 H new ATOM 0 HH22 ARG A 404 -15.134 -1.707 12.465 1.00 2.08 H new ATOM 1296 N LYS A 405 -7.175 -2.037 9.982 1.00 0.24 N ATOM 1297 CA LYS A 405 -7.164 -3.488 9.985 1.00 0.26 C ATOM 1298 C LYS A 405 -8.361 -3.986 10.780 1.00 0.27 C ATOM 1299 O LYS A 405 -8.529 -3.621 11.949 1.00 0.34 O ATOM 1300 CB LYS A 405 -5.855 -4.037 10.565 1.00 0.31 C ATOM 1301 CG LYS A 405 -4.666 -3.898 9.625 1.00 0.58 C ATOM 1302 CD LYS A 405 -3.498 -4.760 10.057 1.00 0.69 C ATOM 1303 CE LYS A 405 -2.800 -4.202 11.281 1.00 1.31 C ATOM 1304 NZ LYS A 405 -1.744 -3.218 10.918 1.00 1.73 N ATOM 0 H LYS A 405 -6.630 -1.604 10.728 1.00 0.24 H new ATOM 0 HA LYS A 405 -7.231 -3.847 8.958 1.00 0.26 H new ATOM 0 HB2 LYS A 405 -5.634 -3.516 11.497 1.00 0.31 H new ATOM 0 HB3 LYS A 405 -5.990 -5.090 10.813 1.00 0.31 H new ATOM 0 HG2 LYS A 405 -4.968 -4.176 8.615 1.00 0.58 H new ATOM 0 HG3 LYS A 405 -4.353 -2.855 9.588 1.00 0.58 H new ATOM 0 HD2 LYS A 405 -3.852 -5.769 10.270 1.00 0.69 H new ATOM 0 HD3 LYS A 405 -2.784 -4.839 9.237 1.00 0.69 H new ATOM 0 HE2 LYS A 405 -3.533 -3.724 11.931 1.00 1.31 H new ATOM 0 HE3 LYS A 405 -2.355 -5.019 11.849 1.00 1.31 H new ATOM 0 HZ1 LYS A 405 -1.385 -2.761 11.780 1.00 1.73 H new ATOM 0 HZ2 LYS A 405 -0.964 -3.708 10.435 1.00 1.73 H new ATOM 0 HZ3 LYS A 405 -2.144 -2.497 10.285 1.00 1.73 H new ATOM 1318 N GLU A 406 -9.204 -4.790 10.134 1.00 0.26 N ATOM 1319 CA GLU A 406 -10.445 -5.240 10.732 1.00 0.27 C ATOM 1320 C GLU A 406 -10.212 -5.987 12.028 1.00 0.29 C ATOM 1321 O GLU A 406 -9.312 -6.825 12.142 1.00 0.33 O ATOM 1322 CB GLU A 406 -11.240 -6.090 9.746 1.00 0.26 C ATOM 1323 CG GLU A 406 -12.077 -5.243 8.803 1.00 0.28 C ATOM 1324 CD GLU A 406 -13.202 -4.508 9.495 1.00 0.56 C ATOM 1325 OE1 GLU A 406 -14.297 -5.083 9.653 1.00 0.84 O ATOM 1326 OE2 GLU A 406 -13.004 -3.335 9.865 1.00 0.81 O ATOM 0 H GLU A 406 -9.042 -5.141 9.190 1.00 0.26 H new ATOM 0 HA GLU A 406 -11.031 -4.353 10.975 1.00 0.27 H new ATOM 0 HB2 GLU A 406 -10.554 -6.707 9.165 1.00 0.26 H new ATOM 0 HB3 GLU A 406 -11.891 -6.769 10.297 1.00 0.26 H new ATOM 0 HG2 GLU A 406 -11.431 -4.519 8.307 1.00 0.28 H new ATOM 0 HG3 GLU A 406 -12.495 -5.883 8.026 1.00 0.28 H new ATOM 1333 N PRO A 407 -11.044 -5.657 13.015 1.00 0.34 N ATOM 1334 CA PRO A 407 -10.960 -6.165 14.386 1.00 0.38 C ATOM 1335 C PRO A 407 -10.847 -7.684 14.462 1.00 0.41 C ATOM 1336 O PRO A 407 -11.789 -8.409 14.136 1.00 0.44 O ATOM 1337 CB PRO A 407 -12.285 -5.690 15.008 1.00 0.43 C ATOM 1338 CG PRO A 407 -13.139 -5.301 13.849 1.00 0.48 C ATOM 1339 CD PRO A 407 -12.176 -4.744 12.859 1.00 0.45 C ATOM 0 HA PRO A 407 -10.067 -5.805 14.896 1.00 0.38 H new ATOM 0 HB2 PRO A 407 -12.752 -6.482 15.594 1.00 0.43 H new ATOM 0 HB3 PRO A 407 -12.125 -4.847 15.681 1.00 0.43 H new ATOM 0 HG2 PRO A 407 -13.676 -6.159 13.444 1.00 0.48 H new ATOM 0 HG3 PRO A 407 -13.888 -4.563 14.136 1.00 0.48 H new ATOM 0 HD2 PRO A 407 -12.576 -4.755 11.845 1.00 0.45 H new ATOM 0 HD3 PRO A 407 -11.906 -3.712 13.084 1.00 0.45 H new ATOM 1347 N GLY A 408 -9.685 -8.150 14.895 1.00 0.51 N ATOM 1348 CA GLY A 408 -9.480 -9.567 15.120 1.00 0.60 C ATOM 1349 C GLY A 408 -9.153 -10.343 13.858 1.00 0.56 C ATOM 1350 O GLY A 408 -8.934 -11.554 13.916 1.00 0.66 O ATOM 0 H GLY A 408 -8.873 -7.566 15.096 1.00 0.51 H new ATOM 0 HA2 GLY A 408 -8.670 -9.699 15.837 1.00 0.60 H new ATOM 0 HA3 GLY A 408 -10.378 -9.988 15.573 1.00 0.60 H new ATOM 1354 N GLN A 409 -9.112 -9.666 12.717 1.00 0.53 N ATOM 1355 CA GLN A 409 -8.860 -10.345 11.453 1.00 0.52 C ATOM 1356 C GLN A 409 -7.392 -10.231 11.051 1.00 0.48 C ATOM 1357 O GLN A 409 -6.630 -9.493 11.675 1.00 0.62 O ATOM 1358 CB GLN A 409 -9.755 -9.790 10.342 1.00 0.67 C ATOM 1359 CG GLN A 409 -11.233 -9.756 10.706 1.00 0.77 C ATOM 1360 CD GLN A 409 -12.141 -9.814 9.493 1.00 0.90 C ATOM 1361 OE1 GLN A 409 -12.528 -8.790 8.935 1.00 1.81 O ATOM 1362 NE2 GLN A 409 -12.490 -11.020 9.077 1.00 1.10 N ATOM 0 H GLN A 409 -9.248 -8.658 12.641 1.00 0.53 H new ATOM 0 HA GLN A 409 -9.098 -11.399 11.595 1.00 0.52 H new ATOM 0 HB2 GLN A 409 -9.428 -8.780 10.094 1.00 0.67 H new ATOM 0 HB3 GLN A 409 -9.625 -10.396 9.446 1.00 0.67 H new ATOM 0 HG2 GLN A 409 -11.459 -10.595 11.364 1.00 0.77 H new ATOM 0 HG3 GLN A 409 -11.443 -8.846 11.267 1.00 0.77 H new ATOM 0 HE21 GLN A 409 -12.148 -11.847 9.567 1.00 1.10 H new ATOM 0 HE22 GLN A 409 -13.101 -11.123 8.267 1.00 1.10 H new ATOM 1371 N ARG A 410 -6.998 -10.974 10.020 1.00 0.44 N ATOM 1372 CA ARG A 410 -5.616 -10.936 9.531 1.00 0.41 C ATOM 1373 C ARG A 410 -5.365 -9.698 8.667 1.00 0.34 C ATOM 1374 O ARG A 410 -5.483 -8.570 9.140 1.00 0.49 O ATOM 1375 CB ARG A 410 -5.240 -12.218 8.758 1.00 0.45 C ATOM 1376 CG ARG A 410 -6.406 -13.123 8.356 1.00 0.57 C ATOM 1377 CD ARG A 410 -7.286 -12.537 7.250 1.00 0.62 C ATOM 1378 NE ARG A 410 -6.545 -12.221 6.017 1.00 0.96 N ATOM 1379 CZ ARG A 410 -5.741 -13.078 5.359 1.00 1.65 C ATOM 1380 NH1 ARG A 410 -5.613 -14.335 5.757 1.00 2.14 N ATOM 1381 NH2 ARG A 410 -5.076 -12.679 4.280 1.00 2.29 N ATOM 0 H ARG A 410 -7.610 -11.608 9.507 1.00 0.44 H new ATOM 0 HA ARG A 410 -4.974 -10.879 10.410 1.00 0.41 H new ATOM 0 HB2 ARG A 410 -4.701 -11.930 7.855 1.00 0.45 H new ATOM 0 HB3 ARG A 410 -4.549 -12.798 9.370 1.00 0.45 H new ATOM 0 HG2 ARG A 410 -6.011 -14.083 8.024 1.00 0.57 H new ATOM 0 HG3 ARG A 410 -7.022 -13.318 9.234 1.00 0.57 H new ATOM 0 HD2 ARG A 410 -8.081 -13.245 7.016 1.00 0.62 H new ATOM 0 HD3 ARG A 410 -7.765 -11.630 7.619 1.00 0.62 H new ATOM 0 HE ARG A 410 -6.649 -11.282 5.632 1.00 0.96 H new ATOM 0 HH11 ARG A 410 -6.128 -14.667 6.573 1.00 2.14 H new ATOM 0 HH12 ARG A 410 -5.000 -14.971 5.248 1.00 2.14 H new ATOM 0 HH21 ARG A 410 -5.173 -11.720 3.947 1.00 2.29 H new ATOM 0 HH22 ARG A 410 -4.468 -13.332 3.785 1.00 2.29 H new ATOM 1395 N LEU A 411 -5.039 -9.914 7.392 1.00 0.21 N ATOM 1396 CA LEU A 411 -4.832 -8.816 6.451 1.00 0.15 C ATOM 1397 C LEU A 411 -6.172 -8.313 5.918 1.00 0.11 C ATOM 1398 O LEU A 411 -6.286 -7.894 4.765 1.00 0.12 O ATOM 1399 CB LEU A 411 -3.903 -9.218 5.298 1.00 0.14 C ATOM 1400 CG LEU A 411 -2.438 -9.435 5.689 1.00 0.17 C ATOM 1401 CD1 LEU A 411 -1.986 -10.848 5.345 1.00 0.20 C ATOM 1402 CD2 LEU A 411 -1.557 -8.413 4.985 1.00 0.16 C ATOM 0 H LEU A 411 -4.913 -10.842 6.988 1.00 0.21 H new ATOM 0 HA LEU A 411 -4.342 -8.006 6.991 1.00 0.15 H new ATOM 0 HB2 LEU A 411 -4.283 -10.136 4.849 1.00 0.14 H new ATOM 0 HB3 LEU A 411 -3.947 -8.446 4.530 1.00 0.14 H new ATOM 0 HG LEU A 411 -2.346 -9.304 6.767 1.00 0.17 H new ATOM 0 HD11 LEU A 411 -0.942 -10.976 5.633 1.00 0.20 H new ATOM 0 HD12 LEU A 411 -2.602 -11.568 5.883 1.00 0.20 H new ATOM 0 HD13 LEU A 411 -2.090 -11.012 4.272 1.00 0.20 H new ATOM 0 HD21 LEU A 411 -0.517 -8.573 5.268 1.00 0.16 H new ATOM 0 HD22 LEU A 411 -1.661 -8.525 3.906 1.00 0.16 H new ATOM 0 HD23 LEU A 411 -1.861 -7.408 5.277 1.00 0.16 H new ATOM 1414 N LEU A 412 -7.192 -8.426 6.753 1.00 0.12 N ATOM 1415 CA LEU A 412 -8.501 -7.895 6.442 1.00 0.10 C ATOM 1416 C LEU A 412 -8.570 -6.452 6.870 1.00 0.09 C ATOM 1417 O LEU A 412 -8.320 -6.129 8.029 1.00 0.10 O ATOM 1418 CB LEU A 412 -9.586 -8.683 7.153 1.00 0.12 C ATOM 1419 CG LEU A 412 -10.703 -9.158 6.256 1.00 0.13 C ATOM 1420 CD1 LEU A 412 -11.023 -8.089 5.245 1.00 0.12 C ATOM 1421 CD2 LEU A 412 -10.295 -10.446 5.584 1.00 0.15 C ATOM 0 H LEU A 412 -7.132 -8.887 7.661 1.00 0.12 H new ATOM 0 HA LEU A 412 -8.661 -7.974 5.367 1.00 0.10 H new ATOM 0 HB2 LEU A 412 -9.132 -9.548 7.636 1.00 0.12 H new ATOM 0 HB3 LEU A 412 -10.010 -8.063 7.943 1.00 0.12 H new ATOM 0 HG LEU A 412 -11.601 -9.350 6.844 1.00 0.13 H new ATOM 0 HD11 LEU A 412 -11.830 -8.431 4.597 1.00 0.12 H new ATOM 0 HD12 LEU A 412 -11.333 -7.181 5.762 1.00 0.12 H new ATOM 0 HD13 LEU A 412 -10.138 -7.880 4.644 1.00 0.12 H new ATOM 0 HD21 LEU A 412 -11.101 -10.790 4.936 1.00 0.15 H new ATOM 0 HD22 LEU A 412 -9.398 -10.277 4.988 1.00 0.15 H new ATOM 0 HD23 LEU A 412 -10.091 -11.203 6.341 1.00 0.15 H new ATOM 1433 N PHE A 413 -8.904 -5.592 5.939 1.00 0.09 N ATOM 1434 CA PHE A 413 -8.878 -4.162 6.191 1.00 0.10 C ATOM 1435 C PHE A 413 -10.207 -3.536 5.810 1.00 0.09 C ATOM 1436 O PHE A 413 -11.090 -4.206 5.272 1.00 0.10 O ATOM 1437 CB PHE A 413 -7.763 -3.464 5.400 1.00 0.12 C ATOM 1438 CG PHE A 413 -6.393 -4.080 5.507 1.00 0.11 C ATOM 1439 CD1 PHE A 413 -6.033 -4.872 6.581 1.00 0.12 C ATOM 1440 CD2 PHE A 413 -5.466 -3.863 4.508 1.00 0.12 C ATOM 1441 CE1 PHE A 413 -4.777 -5.437 6.657 1.00 0.13 C ATOM 1442 CE2 PHE A 413 -4.212 -4.424 4.576 1.00 0.13 C ATOM 1443 CZ PHE A 413 -3.867 -5.214 5.654 1.00 0.14 C ATOM 0 H PHE A 413 -9.198 -5.852 4.998 1.00 0.09 H new ATOM 0 HA PHE A 413 -8.689 -4.029 7.256 1.00 0.10 H new ATOM 0 HB2 PHE A 413 -8.049 -3.443 4.348 1.00 0.12 H new ATOM 0 HB3 PHE A 413 -7.701 -2.428 5.734 1.00 0.12 H new ATOM 0 HD1 PHE A 413 -6.746 -5.051 7.372 1.00 0.12 H new ATOM 0 HD2 PHE A 413 -5.728 -3.245 3.662 1.00 0.12 H new ATOM 0 HE1 PHE A 413 -4.510 -6.053 7.503 1.00 0.13 H new ATOM 0 HE2 PHE A 413 -3.497 -4.246 3.786 1.00 0.13 H new ATOM 0 HZ PHE A 413 -2.883 -5.656 5.708 1.00 0.14 H new ATOM 1453 N ARG A 414 -10.332 -2.247 6.072 1.00 0.11 N ATOM 1454 CA ARG A 414 -11.543 -1.518 5.746 1.00 0.10 C ATOM 1455 C ARG A 414 -11.208 -0.166 5.131 1.00 0.09 C ATOM 1456 O ARG A 414 -10.543 0.663 5.757 1.00 0.12 O ATOM 1457 CB ARG A 414 -12.398 -1.320 6.999 1.00 0.16 C ATOM 1458 CG ARG A 414 -13.692 -0.577 6.736 1.00 0.22 C ATOM 1459 CD ARG A 414 -14.502 -0.401 8.008 1.00 0.35 C ATOM 1460 NE ARG A 414 -14.839 -1.682 8.633 1.00 0.99 N ATOM 1461 CZ ARG A 414 -16.033 -1.968 9.153 1.00 1.11 C ATOM 1462 NH1 ARG A 414 -17.015 -1.077 9.108 1.00 1.13 N ATOM 1463 NH2 ARG A 414 -16.247 -3.159 9.705 1.00 2.09 N ATOM 0 H ARG A 414 -9.605 -1.682 6.512 1.00 0.11 H new ATOM 0 HA ARG A 414 -12.106 -2.103 5.019 1.00 0.10 H new ATOM 0 HB2 ARG A 414 -12.629 -2.294 7.430 1.00 0.16 H new ATOM 0 HB3 ARG A 414 -11.818 -0.772 7.742 1.00 0.16 H new ATOM 0 HG2 ARG A 414 -13.471 0.400 6.306 1.00 0.22 H new ATOM 0 HG3 ARG A 414 -14.283 -1.122 6.000 1.00 0.22 H new ATOM 0 HD2 ARG A 414 -13.938 0.208 8.714 1.00 0.35 H new ATOM 0 HD3 ARG A 414 -15.419 0.142 7.780 1.00 0.35 H new ATOM 0 HE ARG A 414 -14.115 -2.400 8.673 1.00 0.99 H new ATOM 0 HH11 ARG A 414 -16.859 -0.167 8.674 1.00 1.13 H new ATOM 0 HH12 ARG A 414 -17.926 -1.302 9.508 1.00 1.13 H new ATOM 0 HH21 ARG A 414 -15.498 -3.851 9.730 1.00 2.09 H new ATOM 0 HH22 ARG A 414 -17.160 -3.380 10.103 1.00 2.09 H new ATOM 1477 N PHE A 415 -11.659 0.042 3.902 1.00 0.10 N ATOM 1478 CA PHE A 415 -11.548 1.342 3.254 1.00 0.11 C ATOM 1479 C PHE A 415 -12.631 2.276 3.780 1.00 0.12 C ATOM 1480 O PHE A 415 -13.745 2.289 3.261 1.00 0.18 O ATOM 1481 CB PHE A 415 -11.704 1.222 1.735 1.00 0.14 C ATOM 1482 CG PHE A 415 -10.430 0.987 0.971 1.00 0.15 C ATOM 1483 CD1 PHE A 415 -9.507 2.009 0.820 1.00 0.17 C ATOM 1484 CD2 PHE A 415 -10.171 -0.236 0.374 1.00 0.17 C ATOM 1485 CE1 PHE A 415 -8.350 1.814 0.093 1.00 0.20 C ATOM 1486 CE2 PHE A 415 -9.009 -0.438 -0.353 1.00 0.20 C ATOM 1487 CZ PHE A 415 -8.099 0.591 -0.494 1.00 0.21 C ATOM 0 H PHE A 415 -12.107 -0.675 3.332 1.00 0.10 H new ATOM 0 HA PHE A 415 -10.559 1.740 3.479 1.00 0.11 H new ATOM 0 HB2 PHE A 415 -12.392 0.404 1.521 1.00 0.14 H new ATOM 0 HB3 PHE A 415 -12.168 2.135 1.361 1.00 0.14 H new ATOM 0 HD1 PHE A 415 -9.695 2.970 1.276 1.00 0.17 H new ATOM 0 HD2 PHE A 415 -10.883 -1.041 0.476 1.00 0.17 H new ATOM 0 HE1 PHE A 415 -7.640 2.620 -0.017 1.00 0.20 H new ATOM 0 HE2 PHE A 415 -8.815 -1.398 -0.808 1.00 0.20 H new ATOM 0 HZ PHE A 415 -7.193 0.439 -1.062 1.00 0.21 H new ATOM 1497 N MET A 416 -12.306 3.054 4.802 1.00 0.14 N ATOM 1498 CA MET A 416 -13.264 3.993 5.382 1.00 0.17 C ATOM 1499 C MET A 416 -13.746 4.983 4.329 1.00 0.20 C ATOM 1500 O MET A 416 -14.915 5.361 4.301 1.00 0.29 O ATOM 1501 CB MET A 416 -12.641 4.756 6.554 1.00 0.23 C ATOM 1502 CG MET A 416 -12.293 3.891 7.754 1.00 0.30 C ATOM 1503 SD MET A 416 -13.740 3.095 8.476 1.00 1.30 S ATOM 1504 CE MET A 416 -13.038 2.410 9.971 1.00 1.23 C ATOM 0 H MET A 416 -11.389 3.056 5.248 1.00 0.14 H new ATOM 0 HA MET A 416 -14.114 3.417 5.749 1.00 0.17 H new ATOM 0 HB2 MET A 416 -11.736 5.255 6.207 1.00 0.23 H new ATOM 0 HB3 MET A 416 -13.333 5.536 6.872 1.00 0.23 H new ATOM 0 HG2 MET A 416 -11.576 3.128 7.452 1.00 0.30 H new ATOM 0 HG3 MET A 416 -11.805 4.505 8.511 1.00 0.30 H new ATOM 0 HE1 MET A 416 -13.542 1.474 10.214 1.00 1.23 H new ATOM 0 HE2 MET A 416 -11.975 2.221 9.821 1.00 1.23 H new ATOM 0 HE3 MET A 416 -13.169 3.116 10.791 1.00 1.23 H new ATOM 1514 N LYS A 417 -12.839 5.390 3.455 1.00 0.18 N ATOM 1515 CA LYS A 417 -13.176 6.316 2.391 1.00 0.21 C ATOM 1516 C LYS A 417 -12.489 5.929 1.089 1.00 0.22 C ATOM 1517 O LYS A 417 -11.581 5.100 1.071 1.00 0.26 O ATOM 1518 CB LYS A 417 -12.812 7.747 2.790 1.00 0.22 C ATOM 1519 CG LYS A 417 -11.418 7.899 3.376 1.00 0.18 C ATOM 1520 CD LYS A 417 -11.101 9.363 3.632 1.00 0.20 C ATOM 1521 CE LYS A 417 -10.072 9.543 4.733 1.00 0.36 C ATOM 1522 NZ LYS A 417 -10.602 9.128 6.058 1.00 0.61 N ATOM 0 H LYS A 417 -11.864 5.092 3.463 1.00 0.18 H new ATOM 0 HA LYS A 417 -14.253 6.266 2.228 1.00 0.21 H new ATOM 0 HB2 LYS A 417 -12.896 8.389 1.913 1.00 0.22 H new ATOM 0 HB3 LYS A 417 -13.540 8.105 3.518 1.00 0.22 H new ATOM 0 HG2 LYS A 417 -11.346 7.338 4.308 1.00 0.18 H new ATOM 0 HG3 LYS A 417 -10.682 7.476 2.692 1.00 0.18 H new ATOM 0 HD2 LYS A 417 -10.731 9.819 2.714 1.00 0.20 H new ATOM 0 HD3 LYS A 417 -12.016 9.889 3.903 1.00 0.20 H new ATOM 0 HE2 LYS A 417 -9.183 8.958 4.498 1.00 0.36 H new ATOM 0 HE3 LYS A 417 -9.765 10.588 4.776 1.00 0.36 H new ATOM 0 HZ1 LYS A 417 -9.956 9.450 6.807 1.00 0.61 H new ATOM 0 HZ2 LYS A 417 -11.541 9.551 6.204 1.00 0.61 H new ATOM 0 HZ3 LYS A 417 -10.681 8.092 6.091 1.00 0.61 H new ATOM 1536 N THR A 418 -12.968 6.518 0.006 1.00 0.24 N ATOM 1537 CA THR A 418 -12.470 6.245 -1.332 1.00 0.26 C ATOM 1538 C THR A 418 -11.602 7.404 -1.832 1.00 0.23 C ATOM 1539 O THR A 418 -11.568 8.456 -1.194 1.00 0.21 O ATOM 1540 CB THR A 418 -13.653 6.028 -2.304 1.00 0.34 C ATOM 1541 OG1 THR A 418 -14.560 7.141 -2.239 1.00 0.37 O ATOM 1542 CG2 THR A 418 -14.398 4.746 -1.970 1.00 0.40 C ATOM 0 H THR A 418 -13.721 7.206 0.031 1.00 0.24 H new ATOM 0 HA THR A 418 -11.862 5.341 -1.293 1.00 0.26 H new ATOM 0 HB THR A 418 -13.250 5.947 -3.314 1.00 0.34 H new ATOM 0 HG1 THR A 418 -15.045 7.118 -1.388 1.00 0.37 H new ATOM 0 HG21 THR A 418 -15.226 4.614 -2.667 1.00 0.40 H new ATOM 0 HG22 THR A 418 -13.718 3.898 -2.050 1.00 0.40 H new ATOM 0 HG23 THR A 418 -14.786 4.805 -0.953 1.00 0.40 H new ATOM 1550 N PRO A 419 -10.884 7.218 -2.966 1.00 0.24 N ATOM 1551 CA PRO A 419 -10.069 8.269 -3.600 1.00 0.24 C ATOM 1552 C PRO A 419 -10.708 9.655 -3.544 1.00 0.28 C ATOM 1553 O PRO A 419 -10.097 10.607 -3.054 1.00 0.28 O ATOM 1554 CB PRO A 419 -9.989 7.786 -5.044 1.00 0.29 C ATOM 1555 CG PRO A 419 -9.963 6.301 -4.934 1.00 0.30 C ATOM 1556 CD PRO A 419 -10.796 5.950 -3.723 1.00 0.28 C ATOM 0 HA PRO A 419 -9.110 8.397 -3.099 1.00 0.24 H new ATOM 0 HB2 PRO A 419 -10.846 8.127 -5.626 1.00 0.29 H new ATOM 0 HB3 PRO A 419 -9.096 8.164 -5.541 1.00 0.29 H new ATOM 0 HG2 PRO A 419 -10.369 5.838 -5.833 1.00 0.30 H new ATOM 0 HG3 PRO A 419 -8.942 5.937 -4.822 1.00 0.30 H new ATOM 0 HD2 PRO A 419 -11.783 5.588 -4.010 1.00 0.28 H new ATOM 0 HD3 PRO A 419 -10.327 5.164 -3.131 1.00 0.28 H new ATOM 1564 N ASP A 420 -11.943 9.752 -4.034 1.00 0.34 N ATOM 1565 CA ASP A 420 -12.674 11.021 -4.078 1.00 0.43 C ATOM 1566 C ASP A 420 -12.731 11.694 -2.707 1.00 0.40 C ATOM 1567 O ASP A 420 -12.549 12.906 -2.591 1.00 0.44 O ATOM 1568 CB ASP A 420 -14.092 10.785 -4.603 1.00 0.55 C ATOM 1569 CG ASP A 420 -14.969 12.019 -4.515 1.00 0.73 C ATOM 1570 OD1 ASP A 420 -14.707 12.998 -5.246 1.00 0.84 O ATOM 1571 OD2 ASP A 420 -15.943 12.003 -3.736 1.00 0.85 O ATOM 0 H ASP A 420 -12.464 8.960 -4.410 1.00 0.34 H new ATOM 0 HA ASP A 420 -12.138 11.690 -4.751 1.00 0.43 H new ATOM 0 HB2 ASP A 420 -14.039 10.457 -5.641 1.00 0.55 H new ATOM 0 HB3 ASP A 420 -14.554 9.977 -4.036 1.00 0.55 H new ATOM 1576 N GLU A 421 -12.958 10.898 -1.673 1.00 0.35 N ATOM 1577 CA GLU A 421 -13.084 11.410 -0.316 1.00 0.35 C ATOM 1578 C GLU A 421 -11.726 11.831 0.247 1.00 0.32 C ATOM 1579 O GLU A 421 -11.622 12.793 1.007 1.00 0.37 O ATOM 1580 CB GLU A 421 -13.715 10.341 0.574 1.00 0.34 C ATOM 1581 CG GLU A 421 -15.136 10.004 0.167 1.00 0.42 C ATOM 1582 CD GLU A 421 -15.637 8.707 0.773 1.00 0.42 C ATOM 1583 OE1 GLU A 421 -15.336 7.628 0.224 1.00 0.38 O ATOM 1584 OE2 GLU A 421 -16.330 8.761 1.810 1.00 0.51 O ATOM 0 H GLU A 421 -13.060 9.886 -1.749 1.00 0.35 H new ATOM 0 HA GLU A 421 -13.723 12.293 -0.337 1.00 0.35 H new ATOM 0 HB2 GLU A 421 -13.107 9.437 0.536 1.00 0.34 H new ATOM 0 HB3 GLU A 421 -13.710 10.686 1.608 1.00 0.34 H new ATOM 0 HG2 GLU A 421 -15.796 10.817 0.468 1.00 0.42 H new ATOM 0 HG3 GLU A 421 -15.190 9.935 -0.919 1.00 0.42 H new ATOM 1591 N ILE A 422 -10.683 11.112 -0.148 1.00 0.26 N ATOM 1592 CA ILE A 422 -9.341 11.356 0.369 1.00 0.24 C ATOM 1593 C ILE A 422 -8.726 12.608 -0.258 1.00 0.29 C ATOM 1594 O ILE A 422 -7.838 13.240 0.326 1.00 0.32 O ATOM 1595 CB ILE A 422 -8.418 10.143 0.120 1.00 0.19 C ATOM 1596 CG1 ILE A 422 -9.088 8.870 0.639 1.00 0.18 C ATOM 1597 CG2 ILE A 422 -7.066 10.348 0.796 1.00 0.24 C ATOM 1598 CD1 ILE A 422 -8.401 7.595 0.205 1.00 0.18 C ATOM 0 H ILE A 422 -10.740 10.353 -0.827 1.00 0.26 H new ATOM 0 HA ILE A 422 -9.434 11.512 1.444 1.00 0.24 H new ATOM 0 HB ILE A 422 -8.248 10.044 -0.952 1.00 0.19 H new ATOM 0 HG12 ILE A 422 -9.115 8.904 1.728 1.00 0.18 H new ATOM 0 HG13 ILE A 422 -10.122 8.849 0.295 1.00 0.18 H new ATOM 0 HG21 ILE A 422 -6.431 9.482 0.609 1.00 0.24 H new ATOM 0 HG22 ILE A 422 -6.590 11.242 0.393 1.00 0.24 H new ATOM 0 HG23 ILE A 422 -7.210 10.466 1.870 1.00 0.24 H new ATOM 0 HD11 ILE A 422 -8.935 6.737 0.613 1.00 0.18 H new ATOM 0 HD12 ILE A 422 -8.397 7.536 -0.883 1.00 0.18 H new ATOM 0 HD13 ILE A 422 -7.375 7.592 0.572 1.00 0.18 H new ATOM 1610 N MET A 423 -9.225 12.990 -1.432 1.00 0.36 N ATOM 1611 CA MET A 423 -8.722 14.163 -2.141 1.00 0.46 C ATOM 1612 C MET A 423 -9.145 15.462 -1.452 1.00 0.55 C ATOM 1613 O MET A 423 -8.957 16.555 -1.989 1.00 0.71 O ATOM 1614 CB MET A 423 -9.203 14.157 -3.591 1.00 0.56 C ATOM 1615 CG MET A 423 -8.695 12.966 -4.388 1.00 0.59 C ATOM 1616 SD MET A 423 -9.176 13.021 -6.127 1.00 0.83 S ATOM 1617 CE MET A 423 -8.380 14.538 -6.652 1.00 1.83 C ATOM 0 H MET A 423 -9.980 12.502 -1.913 1.00 0.36 H new ATOM 0 HA MET A 423 -7.633 14.115 -2.126 1.00 0.46 H new ATOM 0 HB2 MET A 423 -10.293 14.157 -3.605 1.00 0.56 H new ATOM 0 HB3 MET A 423 -8.878 15.076 -4.078 1.00 0.56 H new ATOM 0 HG2 MET A 423 -7.608 12.927 -4.319 1.00 0.59 H new ATOM 0 HG3 MET A 423 -9.076 12.048 -3.941 1.00 0.59 H new ATOM 0 HE1 MET A 423 -8.258 14.529 -7.735 1.00 1.83 H new ATOM 0 HE2 MET A 423 -8.995 15.390 -6.363 1.00 1.83 H new ATOM 0 HE3 MET A 423 -7.402 14.619 -6.178 1.00 1.83 H new ATOM 1627 N SER A 424 -9.692 15.330 -0.247 1.00 0.60 N ATOM 1628 CA SER A 424 -10.100 16.468 0.568 1.00 0.72 C ATOM 1629 C SER A 424 -8.879 17.214 1.125 1.00 0.74 C ATOM 1630 O SER A 424 -9.015 18.183 1.874 1.00 0.94 O ATOM 1631 CB SER A 424 -10.996 15.971 1.710 1.00 1.07 C ATOM 1632 OG SER A 424 -11.474 17.038 2.508 1.00 1.70 O ATOM 0 H SER A 424 -9.865 14.426 0.193 1.00 0.60 H new ATOM 0 HA SER A 424 -10.657 17.169 -0.053 1.00 0.72 H new ATOM 0 HB2 SER A 424 -11.841 15.421 1.296 1.00 1.07 H new ATOM 0 HB3 SER A 424 -10.436 15.274 2.333 1.00 1.07 H new ATOM 0 HG SER A 424 -10.793 17.741 2.556 1.00 1.70 H new ATOM 1638 N GLY A 425 -7.686 16.751 0.765 1.00 0.81 N ATOM 1639 CA GLY A 425 -6.474 17.436 1.176 1.00 1.23 C ATOM 1640 C GLY A 425 -5.505 16.532 1.907 1.00 0.79 C ATOM 1641 O GLY A 425 -4.396 16.940 2.229 1.00 1.10 O ATOM 0 H GLY A 425 -7.537 15.916 0.198 1.00 0.81 H new ATOM 0 HA2 GLY A 425 -5.982 17.852 0.297 1.00 1.23 H new ATOM 0 HA3 GLY A 425 -6.737 18.275 1.821 1.00 1.23 H new ATOM 1645 N ARG A 426 -5.916 15.296 2.158 1.00 0.59 N ATOM 1646 CA ARG A 426 -5.103 14.358 2.905 1.00 0.47 C ATOM 1647 C ARG A 426 -3.990 13.759 2.051 1.00 0.40 C ATOM 1648 O ARG A 426 -3.036 13.188 2.575 1.00 0.47 O ATOM 1649 CB ARG A 426 -5.989 13.239 3.443 1.00 0.94 C ATOM 1650 CG ARG A 426 -6.728 13.584 4.717 1.00 1.03 C ATOM 1651 CD ARG A 426 -7.787 14.657 4.509 1.00 1.41 C ATOM 1652 NE ARG A 426 -8.524 14.957 5.738 1.00 1.79 N ATOM 1653 CZ ARG A 426 -9.416 15.946 5.854 1.00 2.26 C ATOM 1654 NH1 ARG A 426 -9.639 16.773 4.840 1.00 2.43 N ATOM 1655 NH2 ARG A 426 -10.074 16.124 6.994 1.00 2.85 N ATOM 0 H ARG A 426 -6.814 14.922 1.851 1.00 0.59 H new ATOM 0 HA ARG A 426 -4.635 14.902 3.726 1.00 0.47 H new ATOM 0 HB2 ARG A 426 -6.716 12.968 2.678 1.00 0.94 H new ATOM 0 HB3 ARG A 426 -5.372 12.358 3.622 1.00 0.94 H new ATOM 0 HG2 ARG A 426 -7.200 12.685 5.113 1.00 1.03 H new ATOM 0 HG3 ARG A 426 -6.013 13.925 5.466 1.00 1.03 H new ATOM 0 HD2 ARG A 426 -7.312 15.567 4.142 1.00 1.41 H new ATOM 0 HD3 ARG A 426 -8.486 14.330 3.740 1.00 1.41 H new ATOM 0 HE ARG A 426 -8.346 14.375 6.557 1.00 1.79 H new ATOM 0 HH11 ARG A 426 -9.128 16.656 3.965 1.00 2.43 H new ATOM 0 HH12 ARG A 426 -10.321 17.525 4.936 1.00 2.43 H new ATOM 0 HH21 ARG A 426 -9.900 15.505 7.786 1.00 2.85 H new ATOM 0 HH22 ARG A 426 -10.754 16.880 7.078 1.00 2.85 H new ATOM 1669 N THR A 427 -4.112 13.903 0.741 1.00 0.36 N ATOM 1670 CA THR A 427 -3.216 13.237 -0.191 1.00 0.33 C ATOM 1671 C THR A 427 -1.839 13.895 -0.262 1.00 0.37 C ATOM 1672 O THR A 427 -0.904 13.305 -0.795 1.00 0.38 O ATOM 1673 CB THR A 427 -3.829 13.205 -1.600 1.00 0.35 C ATOM 1674 OG1 THR A 427 -4.192 14.535 -2.007 1.00 0.48 O ATOM 1675 CG2 THR A 427 -5.059 12.313 -1.636 1.00 0.33 C ATOM 0 H THR A 427 -4.827 14.479 0.297 1.00 0.36 H new ATOM 0 HA THR A 427 -3.083 12.223 0.186 1.00 0.33 H new ATOM 0 HB THR A 427 -3.084 12.801 -2.286 1.00 0.35 H new ATOM 0 HG1 THR A 427 -4.580 14.507 -2.906 1.00 0.48 H new ATOM 0 HG21 THR A 427 -5.475 12.307 -2.644 1.00 0.33 H new ATOM 0 HG22 THR A 427 -4.781 11.298 -1.352 1.00 0.33 H new ATOM 0 HG23 THR A 427 -5.805 12.693 -0.938 1.00 0.33 H new ATOM 1683 N ASP A 428 -1.707 15.099 0.285 1.00 0.45 N ATOM 1684 CA ASP A 428 -0.468 15.867 0.140 1.00 0.54 C ATOM 1685 C ASP A 428 0.705 15.175 0.836 1.00 0.55 C ATOM 1686 O ASP A 428 1.769 14.998 0.245 1.00 0.59 O ATOM 1687 CB ASP A 428 -0.642 17.305 0.660 1.00 0.67 C ATOM 1688 CG ASP A 428 -0.794 17.402 2.169 1.00 1.23 C ATOM 1689 OD1 ASP A 428 -1.460 16.533 2.770 1.00 1.53 O ATOM 1690 OD2 ASP A 428 -0.247 18.360 2.762 1.00 1.76 O ATOM 0 H ASP A 428 -2.434 15.564 0.829 1.00 0.45 H new ATOM 0 HA ASP A 428 -0.239 15.918 -0.924 1.00 0.54 H new ATOM 0 HB2 ASP A 428 0.219 17.898 0.353 1.00 0.67 H new ATOM 0 HB3 ASP A 428 -1.519 17.748 0.188 1.00 0.67 H new ATOM 1695 N ARG A 429 0.499 14.769 2.079 1.00 0.54 N ATOM 1696 CA ARG A 429 1.521 14.048 2.833 1.00 0.58 C ATOM 1697 C ARG A 429 1.739 12.670 2.232 1.00 0.45 C ATOM 1698 O ARG A 429 2.817 12.112 2.333 1.00 0.46 O ATOM 1699 CB ARG A 429 1.118 13.916 4.304 1.00 0.72 C ATOM 1700 CG ARG A 429 2.218 13.345 5.186 1.00 0.88 C ATOM 1701 CD ARG A 429 1.749 13.158 6.619 1.00 1.22 C ATOM 1702 NE ARG A 429 2.829 12.693 7.490 1.00 1.86 N ATOM 1703 CZ ARG A 429 2.639 12.102 8.669 1.00 2.48 C ATOM 1704 NH1 ARG A 429 1.410 11.922 9.139 1.00 2.68 N ATOM 1705 NH2 ARG A 429 3.686 11.709 9.386 1.00 3.43 N ATOM 0 H ARG A 429 -0.369 14.926 2.591 1.00 0.54 H new ATOM 0 HA ARG A 429 2.450 14.615 2.777 1.00 0.58 H new ATOM 0 HB2 ARG A 429 0.832 14.897 4.683 1.00 0.72 H new ATOM 0 HB3 ARG A 429 0.238 13.277 4.375 1.00 0.72 H new ATOM 0 HG2 ARG A 429 2.547 12.387 4.783 1.00 0.88 H new ATOM 0 HG3 ARG A 429 3.080 14.011 5.169 1.00 0.88 H new ATOM 0 HD2 ARG A 429 1.357 14.102 6.999 1.00 1.22 H new ATOM 0 HD3 ARG A 429 0.929 12.440 6.642 1.00 1.22 H new ATOM 0 HE ARG A 429 3.789 12.830 7.174 1.00 1.86 H new ATOM 0 HH11 ARG A 429 0.605 12.237 8.597 1.00 2.68 H new ATOM 0 HH12 ARG A 429 1.271 11.469 10.042 1.00 2.68 H new ATOM 0 HH21 ARG A 429 4.631 11.860 9.034 1.00 3.43 H new ATOM 0 HH22 ARG A 429 3.545 11.256 10.289 1.00 3.43 H new ATOM 1719 N LEU A 430 0.715 12.141 1.586 1.00 0.38 N ATOM 1720 CA LEU A 430 0.790 10.829 0.980 1.00 0.32 C ATOM 1721 C LEU A 430 1.614 10.864 -0.296 1.00 0.30 C ATOM 1722 O LEU A 430 2.548 10.088 -0.455 1.00 0.33 O ATOM 1723 CB LEU A 430 -0.612 10.324 0.699 1.00 0.31 C ATOM 1724 CG LEU A 430 -1.450 10.062 1.940 1.00 0.42 C ATOM 1725 CD1 LEU A 430 -2.837 9.593 1.540 1.00 0.70 C ATOM 1726 CD2 LEU A 430 -0.752 9.036 2.816 1.00 0.61 C ATOM 0 H LEU A 430 -0.185 12.607 1.469 1.00 0.38 H new ATOM 0 HA LEU A 430 1.285 10.148 1.672 1.00 0.32 H new ATOM 0 HB2 LEU A 430 -1.129 11.053 0.075 1.00 0.31 H new ATOM 0 HB3 LEU A 430 -0.543 9.402 0.122 1.00 0.31 H new ATOM 0 HG LEU A 430 -1.560 10.984 2.511 1.00 0.42 H new ATOM 0 HD11 LEU A 430 -3.431 9.408 2.435 1.00 0.70 H new ATOM 0 HD12 LEU A 430 -3.321 10.361 0.936 1.00 0.70 H new ATOM 0 HD13 LEU A 430 -2.757 8.673 0.961 1.00 0.70 H new ATOM 0 HD21 LEU A 430 -1.353 8.848 3.706 1.00 0.61 H new ATOM 0 HD22 LEU A 430 -0.627 8.107 2.260 1.00 0.61 H new ATOM 0 HD23 LEU A 430 0.226 9.415 3.112 1.00 0.61 H new ATOM 1738 N GLU A 431 1.283 11.786 -1.191 1.00 0.31 N ATOM 1739 CA GLU A 431 2.039 11.959 -2.423 1.00 0.35 C ATOM 1740 C GLU A 431 3.495 12.308 -2.111 1.00 0.39 C ATOM 1741 O GLU A 431 4.406 12.007 -2.883 1.00 0.44 O ATOM 1742 CB GLU A 431 1.394 13.039 -3.282 1.00 0.39 C ATOM 1743 CG GLU A 431 0.157 12.554 -4.027 1.00 0.50 C ATOM 1744 CD GLU A 431 0.485 11.667 -5.218 1.00 1.35 C ATOM 1745 OE1 GLU A 431 1.612 11.768 -5.748 1.00 1.54 O ATOM 1746 OE2 GLU A 431 -0.389 10.888 -5.652 1.00 2.30 O ATOM 0 H GLU A 431 0.495 12.426 -1.086 1.00 0.31 H new ATOM 0 HA GLU A 431 2.028 11.022 -2.980 1.00 0.35 H new ATOM 0 HB2 GLU A 431 1.121 13.883 -2.649 1.00 0.39 H new ATOM 0 HB3 GLU A 431 2.125 13.405 -4.003 1.00 0.39 H new ATOM 0 HG2 GLU A 431 -0.482 12.003 -3.337 1.00 0.50 H new ATOM 0 HG3 GLU A 431 -0.414 13.417 -4.371 1.00 0.50 H new ATOM 1753 N HIS A 432 3.692 12.943 -0.959 1.00 0.39 N ATOM 1754 CA HIS A 432 5.020 13.315 -0.482 1.00 0.45 C ATOM 1755 C HIS A 432 5.712 12.108 0.160 1.00 0.44 C ATOM 1756 O HIS A 432 6.906 11.878 -0.042 1.00 0.52 O ATOM 1757 CB HIS A 432 4.891 14.452 0.544 1.00 0.50 C ATOM 1758 CG HIS A 432 6.161 15.199 0.831 1.00 0.55 C ATOM 1759 ND1 HIS A 432 6.241 16.574 0.814 1.00 0.87 N ATOM 1760 CD2 HIS A 432 7.388 14.763 1.178 1.00 0.70 C ATOM 1761 CE1 HIS A 432 7.463 16.949 1.139 1.00 0.91 C ATOM 1762 NE2 HIS A 432 8.179 15.869 1.364 1.00 0.77 N ATOM 0 H HIS A 432 2.936 13.214 -0.330 1.00 0.39 H new ATOM 0 HA HIS A 432 5.622 13.651 -1.326 1.00 0.45 H new ATOM 0 HB2 HIS A 432 4.144 15.161 0.186 1.00 0.50 H new ATOM 0 HB3 HIS A 432 4.513 14.036 1.478 1.00 0.50 H new ATOM 0 HD2 HIS A 432 7.693 13.733 1.289 1.00 0.70 H new ATOM 0 HE1 HIS A 432 7.815 17.968 1.208 1.00 0.91 H new ATOM 0 HE2 HIS A 432 9.163 15.856 1.633 1.00 0.77 H new ATOM 1771 N LEU A 433 4.953 11.341 0.933 1.00 0.39 N ATOM 1772 CA LEU A 433 5.493 10.211 1.674 1.00 0.40 C ATOM 1773 C LEU A 433 5.755 9.031 0.765 1.00 0.36 C ATOM 1774 O LEU A 433 6.774 8.366 0.895 1.00 0.35 O ATOM 1775 CB LEU A 433 4.517 9.777 2.768 1.00 0.53 C ATOM 1776 CG LEU A 433 5.158 9.179 4.024 1.00 0.43 C ATOM 1777 CD1 LEU A 433 5.794 7.822 3.743 1.00 0.91 C ATOM 1778 CD2 LEU A 433 6.192 10.137 4.571 1.00 0.73 C ATOM 0 H LEU A 433 3.952 11.485 1.063 1.00 0.39 H new ATOM 0 HA LEU A 433 6.434 10.535 2.118 1.00 0.40 H new ATOM 0 HB2 LEU A 433 3.920 10.641 3.062 1.00 0.53 H new ATOM 0 HB3 LEU A 433 3.830 9.043 2.347 1.00 0.53 H new ATOM 0 HG LEU A 433 4.372 9.025 4.764 1.00 0.43 H new ATOM 0 HD11 LEU A 433 6.238 7.431 4.659 1.00 0.91 H new ATOM 0 HD12 LEU A 433 5.032 7.130 3.385 1.00 0.91 H new ATOM 0 HD13 LEU A 433 6.568 7.933 2.984 1.00 0.91 H new ATOM 0 HD21 LEU A 433 6.647 9.710 5.465 1.00 0.73 H new ATOM 0 HD22 LEU A 433 6.962 10.310 3.819 1.00 0.73 H new ATOM 0 HD23 LEU A 433 5.714 11.083 4.824 1.00 0.73 H new ATOM 1790 N GLU A 434 4.831 8.761 -0.141 1.00 0.40 N ATOM 1791 CA GLU A 434 4.903 7.557 -0.948 1.00 0.45 C ATOM 1792 C GLU A 434 6.169 7.467 -1.766 1.00 0.45 C ATOM 1793 O GLU A 434 6.613 6.377 -2.055 1.00 0.56 O ATOM 1794 CB GLU A 434 3.669 7.370 -1.804 1.00 0.66 C ATOM 1795 CG GLU A 434 2.539 6.759 -1.003 1.00 0.80 C ATOM 1796 CD GLU A 434 1.376 6.326 -1.856 1.00 1.20 C ATOM 1797 OE1 GLU A 434 1.601 5.959 -3.024 1.00 1.75 O ATOM 1798 OE2 GLU A 434 0.222 6.381 -1.371 1.00 1.47 O ATOM 0 H GLU A 434 4.026 9.357 -0.335 1.00 0.40 H new ATOM 0 HA GLU A 434 4.937 6.728 -0.241 1.00 0.45 H new ATOM 0 HB2 GLU A 434 3.354 8.332 -2.209 1.00 0.66 H new ATOM 0 HB3 GLU A 434 3.905 6.729 -2.653 1.00 0.66 H new ATOM 0 HG2 GLU A 434 2.917 5.898 -0.451 1.00 0.80 H new ATOM 0 HG3 GLU A 434 2.191 7.483 -0.266 1.00 0.80 H new ATOM 1805 N SER A 435 6.776 8.578 -2.113 1.00 0.46 N ATOM 1806 CA SER A 435 8.070 8.522 -2.751 1.00 0.53 C ATOM 1807 C SER A 435 9.149 8.153 -1.729 1.00 0.50 C ATOM 1808 O SER A 435 10.107 7.445 -2.040 1.00 0.58 O ATOM 1809 CB SER A 435 8.386 9.855 -3.392 1.00 0.62 C ATOM 1810 OG SER A 435 7.424 10.837 -3.029 1.00 1.01 O ATOM 0 H SER A 435 6.403 9.516 -1.968 1.00 0.46 H new ATOM 0 HA SER A 435 8.050 7.755 -3.525 1.00 0.53 H new ATOM 0 HB2 SER A 435 9.379 10.183 -3.086 1.00 0.62 H new ATOM 0 HB3 SER A 435 8.407 9.745 -4.476 1.00 0.62 H new ATOM 0 HG SER A 435 7.651 11.690 -3.455 1.00 1.01 H new ATOM 1816 N GLN A 436 8.962 8.629 -0.507 1.00 0.43 N ATOM 1817 CA GLN A 436 9.934 8.443 0.565 1.00 0.48 C ATOM 1818 C GLN A 436 9.882 7.040 1.149 1.00 0.45 C ATOM 1819 O GLN A 436 10.908 6.489 1.502 1.00 0.51 O ATOM 1820 CB GLN A 436 9.733 9.470 1.672 1.00 0.52 C ATOM 1821 CG GLN A 436 10.092 10.877 1.244 1.00 0.77 C ATOM 1822 CD GLN A 436 10.194 11.829 2.415 1.00 0.77 C ATOM 1823 OE1 GLN A 436 10.514 11.424 3.533 1.00 1.27 O ATOM 1824 NE2 GLN A 436 9.953 13.102 2.161 1.00 1.38 N ATOM 0 H GLN A 436 8.134 9.155 -0.229 1.00 0.43 H new ATOM 0 HA GLN A 436 10.919 8.586 0.120 1.00 0.48 H new ATOM 0 HB2 GLN A 436 8.692 9.449 1.996 1.00 0.52 H new ATOM 0 HB3 GLN A 436 10.340 9.192 2.533 1.00 0.52 H new ATOM 0 HG2 GLN A 436 11.042 10.860 0.710 1.00 0.77 H new ATOM 0 HG3 GLN A 436 9.340 11.244 0.546 1.00 0.77 H new ATOM 0 HE21 GLN A 436 9.691 13.393 1.219 1.00 1.38 H new ATOM 0 HE22 GLN A 436 10.029 13.794 2.906 1.00 1.38 H new ATOM 1833 N VAL A 437 8.688 6.471 1.260 1.00 0.38 N ATOM 1834 CA VAL A 437 8.535 5.101 1.755 1.00 0.38 C ATOM 1835 C VAL A 437 9.182 4.111 0.783 1.00 0.42 C ATOM 1836 O VAL A 437 9.624 3.025 1.160 1.00 0.49 O ATOM 1837 CB VAL A 437 7.043 4.753 1.996 1.00 0.33 C ATOM 1838 CG1 VAL A 437 6.175 5.230 0.853 1.00 0.31 C ATOM 1839 CG2 VAL A 437 6.844 3.267 2.202 1.00 0.38 C ATOM 0 H VAL A 437 7.812 6.932 1.016 1.00 0.38 H new ATOM 0 HA VAL A 437 9.046 5.026 2.715 1.00 0.38 H new ATOM 0 HB VAL A 437 6.742 5.272 2.906 1.00 0.33 H new ATOM 0 HG11 VAL A 437 5.135 4.971 1.053 1.00 0.31 H new ATOM 0 HG12 VAL A 437 6.266 6.312 0.753 1.00 0.31 H new ATOM 0 HG13 VAL A 437 6.497 4.752 -0.072 1.00 0.31 H new ATOM 0 HG21 VAL A 437 5.787 3.061 2.368 1.00 0.38 H new ATOM 0 HG22 VAL A 437 7.184 2.728 1.318 1.00 0.38 H new ATOM 0 HG23 VAL A 437 7.418 2.940 3.069 1.00 0.38 H new ATOM 1849 N LEU A 438 9.278 4.534 -0.464 1.00 0.41 N ATOM 1850 CA LEU A 438 9.940 3.758 -1.503 1.00 0.48 C ATOM 1851 C LEU A 438 11.447 3.989 -1.450 1.00 0.55 C ATOM 1852 O LEU A 438 12.215 3.409 -2.217 1.00 0.62 O ATOM 1853 CB LEU A 438 9.390 4.191 -2.851 1.00 0.48 C ATOM 1854 CG LEU A 438 7.868 4.129 -2.954 1.00 0.47 C ATOM 1855 CD1 LEU A 438 7.388 4.695 -4.277 1.00 0.51 C ATOM 1856 CD2 LEU A 438 7.351 2.715 -2.749 1.00 0.54 C ATOM 0 H LEU A 438 8.900 5.424 -0.788 1.00 0.41 H new ATOM 0 HA LEU A 438 9.752 2.695 -1.350 1.00 0.48 H new ATOM 0 HB2 LEU A 438 9.716 5.211 -3.053 1.00 0.48 H new ATOM 0 HB3 LEU A 438 9.822 3.559 -3.627 1.00 0.48 H new ATOM 0 HG LEU A 438 7.461 4.747 -2.153 1.00 0.47 H new ATOM 0 HD11 LEU A 438 6.300 4.639 -4.324 1.00 0.51 H new ATOM 0 HD12 LEU A 438 7.701 5.735 -4.363 1.00 0.51 H new ATOM 0 HD13 LEU A 438 7.817 4.118 -5.096 1.00 0.51 H new ATOM 0 HD21 LEU A 438 6.264 2.710 -2.829 1.00 0.54 H new ATOM 0 HD22 LEU A 438 7.774 2.059 -3.510 1.00 0.54 H new ATOM 0 HD23 LEU A 438 7.643 2.360 -1.761 1.00 0.54 H new