USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 622 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 419 SER OG : rot 180:sc= -0.253 USER MOD Set 1.2: A 420 GLN : amide:sc= 0.422 K(o=0.17,f=-5.1!) USER MOD Set 1.3: A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 372 SER OG : rot 180:sc= 0 USER MOD Single : A 373 SER OG : rot 180:sc= 0 USER MOD Single : A 376 TYR OH : rot 67:sc= -0.16 USER MOD Single : A 377 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 384 LYS NZ :NH3+ -153:sc= -0.0511 (180deg=-0.731) USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD Single : A 390 GLN : amide:sc= -0.772 K(o=-0.77,f=-2) USER MOD Single : A 399 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 401 THR OG1 : rot -150:sc= -1.04 USER MOD Single : A 402 GLN : amide:sc= -0.0513 K(o=-0.051,f=-3.2!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot -47:sc= 1.19 USER MOD Single : A 425 ASN : amide:sc= -1.27 K(o=-1.3,f=-3.9!) USER MOD Single : A 429 MET CE :methyl -121:sc= -0.643 (180deg=-3.59!) USER MOD Single : A 430 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 431 ASN : amide:sc=-0.00714 X(o=-0.0071,f=-0.28) USER MOD Single : A 434 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 444 TYR OH : rot 73:sc= 0.343 USER MOD Single : A 445 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 371 -10.080 8.447 -6.616 1.00 0.00 N ATOM 45 CA VAL A 371 -9.829 7.228 -5.856 1.00 0.00 C ATOM 46 C VAL A 371 -11.062 6.819 -5.056 1.00 0.00 C ATOM 47 O VAL A 371 -11.458 7.504 -4.113 1.00 0.00 O ATOM 48 CB VAL A 371 -8.639 7.401 -4.893 1.00 0.00 C ATOM 49 CG1 VAL A 371 -8.288 6.075 -4.232 1.00 0.00 C ATOM 50 CG2 VAL A 371 -7.434 7.974 -5.625 1.00 0.00 C ATOM 0 HA VAL A 371 -9.590 6.447 -6.578 1.00 0.00 H new ATOM 0 HB VAL A 371 -8.929 8.105 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 371 -7.445 6.217 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 371 -9.147 5.710 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 371 -8.020 5.347 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 371 -6.605 8.088 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 371 -7.141 7.298 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 371 -7.692 8.946 -6.045 1.00 0.00 H new ATOM 60 N SER A 372 -11.664 5.698 -5.439 1.00 0.00 N ATOM 61 CA SER A 372 -12.853 5.197 -4.759 1.00 0.00 C ATOM 62 C SER A 372 -12.474 4.379 -3.528 1.00 0.00 C ATOM 63 O SER A 372 -11.295 4.135 -3.272 1.00 0.00 O ATOM 64 CB SER A 372 -13.691 4.346 -5.713 1.00 0.00 C ATOM 65 OG SER A 372 -13.987 5.055 -6.903 1.00 0.00 O ATOM 0 H SER A 372 -11.348 5.119 -6.217 1.00 0.00 H new ATOM 0 HA SER A 372 -13.443 6.054 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 372 -13.153 3.430 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 372 -14.618 4.050 -5.222 1.00 0.00 H new ATOM 0 HG SER A 372 -14.522 4.488 -7.497 1.00 0.00 H new ATOM 71 N SER A 373 -13.481 3.957 -2.772 1.00 0.00 N ATOM 72 CA SER A 373 -13.257 3.163 -1.569 1.00 0.00 C ATOM 73 C SER A 373 -12.509 1.872 -1.891 1.00 0.00 C ATOM 74 O SER A 373 -11.886 1.270 -1.016 1.00 0.00 O ATOM 75 CB SER A 373 -14.590 2.838 -0.892 1.00 0.00 C ATOM 76 OG SER A 373 -14.405 2.535 0.479 1.00 0.00 O ATOM 0 H SER A 373 -14.462 4.152 -2.971 1.00 0.00 H new ATOM 0 HA SER A 373 -12.643 3.753 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 373 -15.268 3.685 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 373 -15.060 1.992 -1.394 1.00 0.00 H new ATOM 0 HG SER A 373 -15.272 2.332 0.889 1.00 0.00 H new ATOM 82 N GLU A 374 -12.573 1.450 -3.152 1.00 0.00 N ATOM 83 CA GLU A 374 -11.902 0.230 -3.588 1.00 0.00 C ATOM 84 C GLU A 374 -10.426 0.241 -3.196 1.00 0.00 C ATOM 85 O GLU A 374 -9.812 -0.811 -3.027 1.00 0.00 O ATOM 86 CB GLU A 374 -12.037 0.062 -5.102 1.00 0.00 C ATOM 87 CG GLU A 374 -13.467 -0.168 -5.563 1.00 0.00 C ATOM 88 CD GLU A 374 -13.571 -1.237 -6.634 1.00 0.00 C ATOM 89 OE1 GLU A 374 -13.282 -0.931 -7.808 1.00 0.00 O ATOM 90 OE2 GLU A 374 -13.941 -2.381 -6.296 1.00 0.00 O ATOM 0 H GLU A 374 -13.083 1.936 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 374 -12.382 -0.612 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -11.644 0.951 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -11.421 -0.778 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -14.079 -0.455 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -13.876 0.767 -5.947 1.00 0.00 H new ATOM 97 N ILE A 375 -9.862 1.438 -3.053 1.00 0.00 N ATOM 98 CA ILE A 375 -8.459 1.581 -2.681 1.00 0.00 C ATOM 99 C ILE A 375 -8.164 0.870 -1.364 1.00 0.00 C ATOM 100 O ILE A 375 -7.160 0.170 -1.235 1.00 0.00 O ATOM 101 CB ILE A 375 -8.057 3.066 -2.557 1.00 0.00 C ATOM 102 CG1 ILE A 375 -6.557 3.195 -2.287 1.00 0.00 C ATOM 103 CG2 ILE A 375 -8.861 3.746 -1.456 1.00 0.00 C ATOM 104 CD1 ILE A 375 -5.695 2.544 -3.347 1.00 0.00 C ATOM 0 H ILE A 375 -10.355 2.321 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 375 -7.872 1.121 -3.476 1.00 0.00 H new ATOM 0 HB ILE A 375 -8.279 3.563 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 375 -6.298 4.251 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 375 -6.330 2.747 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 375 -8.565 4.792 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 375 -9.924 3.685 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 375 -8.671 3.247 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 375 -4.643 2.674 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 375 -5.926 1.480 -3.401 1.00 0.00 H new ATOM 0 HD13 ILE A 375 -5.894 3.008 -4.313 1.00 0.00 H new ATOM 116 N TYR A 376 -9.048 1.051 -0.387 1.00 0.00 N ATOM 117 CA TYR A 376 -8.884 0.427 0.919 1.00 0.00 C ATOM 118 C TYR A 376 -9.089 -1.081 0.828 1.00 0.00 C ATOM 119 O TYR A 376 -8.329 -1.857 1.408 1.00 0.00 O ATOM 120 CB TYR A 376 -9.870 1.028 1.923 1.00 0.00 C ATOM 121 CG TYR A 376 -9.499 2.422 2.378 1.00 0.00 C ATOM 122 CD1 TYR A 376 -9.893 3.537 1.651 1.00 0.00 C ATOM 123 CD2 TYR A 376 -8.756 2.620 3.534 1.00 0.00 C ATOM 124 CE1 TYR A 376 -9.556 4.812 2.061 1.00 0.00 C ATOM 125 CE2 TYR A 376 -8.417 3.893 3.954 1.00 0.00 C ATOM 126 CZ TYR A 376 -8.819 4.985 3.215 1.00 0.00 C ATOM 127 OH TYR A 376 -8.482 6.253 3.628 1.00 0.00 O ATOM 0 H TYR A 376 -9.886 1.626 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 376 -7.867 0.619 1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 376 -10.863 1.054 1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 376 -9.932 0.375 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 376 -10.473 3.405 0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 376 -8.438 1.766 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 376 -9.867 5.669 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 376 -7.840 4.031 4.857 1.00 0.00 H new ATOM 0 HH TYR A 376 -9.292 6.736 3.896 1.00 0.00 H new ATOM 137 N GLN A 377 -10.120 -1.489 0.096 1.00 0.00 N ATOM 138 CA GLN A 377 -10.425 -2.906 -0.071 1.00 0.00 C ATOM 139 C GLN A 377 -9.315 -3.615 -0.841 1.00 0.00 C ATOM 140 O GLN A 377 -9.051 -4.796 -0.622 1.00 0.00 O ATOM 141 CB GLN A 377 -11.760 -3.079 -0.799 1.00 0.00 C ATOM 142 CG GLN A 377 -12.264 -4.513 -0.812 1.00 0.00 C ATOM 143 CD GLN A 377 -13.752 -4.610 -0.542 1.00 0.00 C ATOM 144 OE1 GLN A 377 -14.553 -4.767 -1.465 1.00 0.00 O ATOM 145 NE2 GLN A 377 -14.130 -4.517 0.727 1.00 0.00 N ATOM 0 H GLN A 377 -10.758 -0.860 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 377 -10.498 -3.356 0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 377 -12.508 -2.444 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 377 -11.652 -2.731 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 377 -12.044 -4.963 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN A 377 -11.724 -5.091 -0.062 1.00 0.00 H new ATOM 0 HE21 GLN A 377 -13.432 -4.387 1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 377 -15.119 -4.575 0.970 1.00 0.00 H new ATOM 154 N TRP A 378 -8.670 -2.884 -1.745 1.00 0.00 N ATOM 155 CA TRP A 378 -7.588 -3.443 -2.548 1.00 0.00 C ATOM 156 C TRP A 378 -6.395 -3.811 -1.673 1.00 0.00 C ATOM 157 O TRP A 378 -5.814 -4.887 -1.820 1.00 0.00 O ATOM 158 CB TRP A 378 -7.159 -2.447 -3.627 1.00 0.00 C ATOM 159 CG TRP A 378 -8.144 -2.321 -4.749 1.00 0.00 C ATOM 160 CD1 TRP A 378 -9.079 -3.242 -5.127 1.00 0.00 C ATOM 161 CD2 TRP A 378 -8.292 -1.210 -5.640 1.00 0.00 C ATOM 162 NE1 TRP A 378 -9.799 -2.770 -6.198 1.00 0.00 N ATOM 163 CE2 TRP A 378 -9.335 -1.524 -6.531 1.00 0.00 C ATOM 164 CE3 TRP A 378 -7.645 0.023 -5.769 1.00 0.00 C ATOM 165 CZ2 TRP A 378 -9.743 -0.653 -7.537 1.00 0.00 C ATOM 166 CZ3 TRP A 378 -8.052 0.887 -6.768 1.00 0.00 C ATOM 167 CH2 TRP A 378 -9.093 0.546 -7.640 1.00 0.00 C ATOM 0 H TRP A 378 -8.878 -1.904 -1.940 1.00 0.00 H new ATOM 0 HA TRP A 378 -7.956 -4.350 -3.028 1.00 0.00 H new ATOM 0 HB2 TRP A 378 -7.014 -1.468 -3.170 1.00 0.00 H new ATOM 0 HB3 TRP A 378 -6.195 -2.755 -4.033 1.00 0.00 H new ATOM 0 HD1 TRP A 378 -9.230 -4.201 -4.654 1.00 0.00 H new ATOM 0 HE1 TRP A 378 -10.556 -3.266 -6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 378 -6.842 0.295 -5.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 378 -10.544 -0.915 -8.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 378 -7.559 1.841 -6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 378 -9.389 1.244 -8.409 1.00 0.00 H new ATOM 178 N VAL A 379 -6.034 -2.911 -0.764 1.00 0.00 N ATOM 179 CA VAL A 379 -4.909 -3.141 0.135 1.00 0.00 C ATOM 180 C VAL A 379 -5.154 -4.358 1.021 1.00 0.00 C ATOM 181 O VAL A 379 -4.237 -5.132 1.296 1.00 0.00 O ATOM 182 CB VAL A 379 -4.642 -1.915 1.027 1.00 0.00 C ATOM 183 CG1 VAL A 379 -3.351 -2.096 1.812 1.00 0.00 C ATOM 184 CG2 VAL A 379 -4.593 -0.646 0.189 1.00 0.00 C ATOM 0 H VAL A 379 -6.504 -2.016 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 379 -4.035 -3.321 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 379 -5.462 -1.821 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 379 -3.179 -1.219 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 379 -3.430 -2.981 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 379 -2.518 -2.217 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 379 -4.403 0.210 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 379 -3.794 -0.727 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 379 -5.546 -0.510 -0.322 1.00 0.00 H new ATOM 194 N ARG A 380 -6.396 -4.518 1.467 1.00 0.00 N ATOM 195 CA ARG A 380 -6.761 -5.640 2.324 1.00 0.00 C ATOM 196 C ARG A 380 -6.680 -6.957 1.558 1.00 0.00 C ATOM 197 O ARG A 380 -6.082 -7.925 2.030 1.00 0.00 O ATOM 198 CB ARG A 380 -8.172 -5.446 2.881 1.00 0.00 C ATOM 199 CG ARG A 380 -8.239 -4.461 4.036 1.00 0.00 C ATOM 200 CD ARG A 380 -9.666 -4.272 4.525 1.00 0.00 C ATOM 201 NE ARG A 380 -10.133 -5.413 5.308 1.00 0.00 N ATOM 202 CZ ARG A 380 -11.414 -5.662 5.564 1.00 0.00 C ATOM 203 NH1 ARG A 380 -12.360 -4.854 5.101 1.00 0.00 N ATOM 204 NH2 ARG A 380 -11.752 -6.723 6.285 1.00 0.00 N ATOM 0 H ARG A 380 -7.166 -3.885 1.249 1.00 0.00 H new ATOM 0 HA ARG A 380 -6.054 -5.678 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 380 -8.825 -5.099 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 380 -8.558 -6.410 3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 380 -7.616 -4.818 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 380 -7.831 -3.501 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 380 -9.724 -3.368 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 380 -10.326 -4.125 3.670 1.00 0.00 H new ATOM 0 HE ARG A 380 -9.435 -6.057 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 380 -12.106 -4.037 4.546 1.00 0.00 H new ATOM 0 HH12 ARG A 380 -13.341 -5.050 5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 380 -11.029 -7.348 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 380 -12.734 -6.914 6.481 1.00 0.00 H new ATOM 218 N ASP A 381 -7.286 -6.988 0.376 1.00 0.00 N ATOM 219 CA ASP A 381 -7.281 -8.186 -0.455 1.00 0.00 C ATOM 220 C ASP A 381 -5.861 -8.563 -0.861 1.00 0.00 C ATOM 221 O ASP A 381 -5.545 -9.740 -1.033 1.00 0.00 O ATOM 222 CB ASP A 381 -8.140 -7.970 -1.703 1.00 0.00 C ATOM 223 CG ASP A 381 -9.621 -7.915 -1.383 1.00 0.00 C ATOM 224 OD1 ASP A 381 -10.012 -7.110 -0.512 1.00 0.00 O ATOM 225 OD2 ASP A 381 -10.391 -8.678 -2.005 1.00 0.00 O ATOM 0 H ASP A 381 -7.787 -6.197 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 381 -7.701 -9.004 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 381 -7.842 -7.042 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 381 -7.954 -8.776 -2.413 1.00 0.00 H new ATOM 230 N GLU A 382 -5.007 -7.556 -1.012 1.00 0.00 N ATOM 231 CA GLU A 382 -3.619 -7.782 -1.398 1.00 0.00 C ATOM 232 C GLU A 382 -2.796 -8.274 -0.213 1.00 0.00 C ATOM 233 O GLU A 382 -1.845 -9.035 -0.377 1.00 0.00 O ATOM 234 CB GLU A 382 -3.009 -6.495 -1.959 1.00 0.00 C ATOM 235 CG GLU A 382 -2.058 -6.728 -3.122 1.00 0.00 C ATOM 236 CD GLU A 382 -2.769 -7.220 -4.366 1.00 0.00 C ATOM 237 OE1 GLU A 382 -3.823 -6.644 -4.714 1.00 0.00 O ATOM 238 OE2 GLU A 382 -2.276 -8.182 -4.992 1.00 0.00 O ATOM 0 H GLU A 382 -5.252 -6.576 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 382 -3.604 -8.551 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 382 -3.812 -5.834 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 382 -2.475 -5.979 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 382 -1.535 -5.799 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 382 -1.302 -7.456 -2.828 1.00 0.00 H new ATOM 245 N LEU A 383 -3.171 -7.834 0.985 1.00 0.00 N ATOM 246 CA LEU A 383 -2.467 -8.230 2.199 1.00 0.00 C ATOM 247 C LEU A 383 -2.753 -9.689 2.543 1.00 0.00 C ATOM 248 O LEU A 383 -1.896 -10.389 3.082 1.00 0.00 O ATOM 249 CB LEU A 383 -2.875 -7.329 3.367 1.00 0.00 C ATOM 250 CG LEU A 383 -2.034 -6.063 3.532 1.00 0.00 C ATOM 251 CD1 LEU A 383 -2.824 -4.987 4.260 1.00 0.00 C ATOM 252 CD2 LEU A 383 -0.744 -6.375 4.276 1.00 0.00 C ATOM 0 H LEU A 383 -3.958 -7.204 1.140 1.00 0.00 H new ATOM 0 HA LEU A 383 -1.397 -8.121 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.918 -7.040 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.818 -7.907 4.289 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.778 -5.688 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 383 -2.209 -4.094 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -3.720 -4.744 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -3.111 -5.351 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 383 -0.157 -5.463 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -0.980 -6.774 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.169 -7.111 3.715 1.00 0.00 H new ATOM 264 N LYS A 384 -3.962 -10.142 2.227 1.00 0.00 N ATOM 265 CA LYS A 384 -4.359 -11.517 2.503 1.00 0.00 C ATOM 266 C LYS A 384 -3.820 -12.463 1.435 1.00 0.00 C ATOM 267 O LYS A 384 -3.472 -13.608 1.725 1.00 0.00 O ATOM 268 CB LYS A 384 -5.884 -11.626 2.575 1.00 0.00 C ATOM 269 CG LYS A 384 -6.533 -10.530 3.403 1.00 0.00 C ATOM 270 CD LYS A 384 -7.562 -11.094 4.371 1.00 0.00 C ATOM 271 CE LYS A 384 -7.031 -11.124 5.796 1.00 0.00 C ATOM 272 NZ LYS A 384 -5.640 -11.652 5.860 1.00 0.00 N ATOM 0 H LYS A 384 -4.683 -9.576 1.780 1.00 0.00 H new ATOM 0 HA LYS A 384 -3.936 -11.805 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -6.290 -11.595 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -6.151 -12.595 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -5.766 -9.991 3.960 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.012 -9.809 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -8.468 -10.490 4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -7.838 -12.103 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.057 -10.118 6.214 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.683 -11.742 6.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.474 -12.082 6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.507 -12.370 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.966 -10.874 5.713 1.00 0.00 H new ATOM 286 N ARG A 385 -3.754 -11.977 0.200 1.00 0.00 N ATOM 287 CA ARG A 385 -3.257 -12.779 -0.912 1.00 0.00 C ATOM 288 C ARG A 385 -1.734 -12.839 -0.902 1.00 0.00 C ATOM 289 O ARG A 385 -1.139 -13.837 -1.309 1.00 0.00 O ATOM 290 CB ARG A 385 -3.748 -12.205 -2.242 1.00 0.00 C ATOM 291 CG ARG A 385 -5.155 -12.644 -2.613 1.00 0.00 C ATOM 292 CD ARG A 385 -5.694 -11.852 -3.792 1.00 0.00 C ATOM 293 NE ARG A 385 -6.650 -12.625 -4.582 1.00 0.00 N ATOM 294 CZ ARG A 385 -7.358 -12.120 -5.590 1.00 0.00 C ATOM 295 NH1 ARG A 385 -7.221 -10.846 -5.934 1.00 0.00 N ATOM 296 NH2 ARG A 385 -8.207 -12.893 -6.255 1.00 0.00 N ATOM 0 H ARG A 385 -4.038 -11.032 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 385 -3.643 -13.792 -0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 385 -3.718 -11.117 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 385 -3.062 -12.507 -3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 385 -5.153 -13.706 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 385 -5.815 -12.516 -1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 385 -6.175 -10.944 -3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 385 -4.866 -11.541 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 385 -6.783 -13.609 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 385 -6.570 -10.248 -5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 385 -7.766 -10.465 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 385 -8.317 -13.873 -5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 385 -8.750 -12.507 -7.027 1.00 0.00 H new ATOM 310 N ALA A 386 -1.108 -11.764 -0.435 1.00 0.00 N ATOM 311 CA ALA A 386 0.348 -11.694 -0.373 1.00 0.00 C ATOM 312 C ALA A 386 0.875 -12.363 0.893 1.00 0.00 C ATOM 313 O ALA A 386 1.691 -13.283 0.827 1.00 0.00 O ATOM 314 CB ALA A 386 0.809 -10.246 -0.437 1.00 0.00 C ATOM 0 H ALA A 386 -1.585 -10.930 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 386 0.751 -12.231 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 386 1.897 -10.208 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 386 0.471 -9.797 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 386 0.390 -9.693 0.404 1.00 0.00 H new ATOM 320 N GLY A 387 0.403 -11.895 2.043 1.00 0.00 N ATOM 321 CA GLY A 387 0.839 -12.459 3.307 1.00 0.00 C ATOM 322 C GLY A 387 2.033 -11.727 3.889 1.00 0.00 C ATOM 323 O GLY A 387 3.044 -12.342 4.225 1.00 0.00 O ATOM 0 H GLY A 387 -0.273 -11.136 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 387 0.015 -12.426 4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 387 1.095 -13.509 3.164 1.00 0.00 H new ATOM 327 N ILE A 388 1.916 -10.408 4.008 1.00 0.00 N ATOM 328 CA ILE A 388 2.993 -9.592 4.553 1.00 0.00 C ATOM 329 C ILE A 388 2.452 -8.533 5.508 1.00 0.00 C ATOM 330 O ILE A 388 1.259 -8.229 5.501 1.00 0.00 O ATOM 331 CB ILE A 388 3.792 -8.896 3.435 1.00 0.00 C ATOM 332 CG1 ILE A 388 2.854 -8.101 2.525 1.00 0.00 C ATOM 333 CG2 ILE A 388 4.577 -9.922 2.628 1.00 0.00 C ATOM 334 CD1 ILE A 388 3.474 -6.835 1.976 1.00 0.00 C ATOM 0 H ILE A 388 1.086 -9.882 3.734 1.00 0.00 H new ATOM 0 HA ILE A 388 3.654 -10.266 5.098 1.00 0.00 H new ATOM 0 HB ILE A 388 4.498 -8.202 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 388 2.544 -8.734 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 388 1.953 -7.843 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 388 5.137 -9.415 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 388 5.270 -10.449 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 388 3.887 -10.637 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 388 2.752 -6.323 1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 388 3.758 -6.182 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 388 4.359 -7.087 1.391 1.00 0.00 H new ATOM 346 N SER A 389 3.336 -7.974 6.326 1.00 0.00 N ATOM 347 CA SER A 389 2.947 -6.948 7.286 1.00 0.00 C ATOM 348 C SER A 389 2.694 -5.616 6.589 1.00 0.00 C ATOM 349 O SER A 389 3.295 -5.321 5.555 1.00 0.00 O ATOM 350 CB SER A 389 4.031 -6.780 8.354 1.00 0.00 C ATOM 351 OG SER A 389 4.341 -8.019 8.966 1.00 0.00 O ATOM 0 H SER A 389 4.327 -8.214 6.344 1.00 0.00 H new ATOM 0 HA SER A 389 2.021 -7.268 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 389 4.929 -6.360 7.902 1.00 0.00 H new ATOM 0 HB3 SER A 389 3.694 -6.072 9.111 1.00 0.00 H new ATOM 0 HG SER A 389 5.037 -7.885 9.643 1.00 0.00 H new ATOM 357 N GLN A 390 1.802 -4.813 7.159 1.00 0.00 N ATOM 358 CA GLN A 390 1.469 -3.512 6.591 1.00 0.00 C ATOM 359 C GLN A 390 2.701 -2.617 6.521 1.00 0.00 C ATOM 360 O GLN A 390 2.800 -1.747 5.654 1.00 0.00 O ATOM 361 CB GLN A 390 0.379 -2.834 7.424 1.00 0.00 C ATOM 362 CG GLN A 390 -1.015 -3.376 7.157 1.00 0.00 C ATOM 363 CD GLN A 390 -2.086 -2.637 7.937 1.00 0.00 C ATOM 364 OE1 GLN A 390 -1.788 -1.880 8.860 1.00 0.00 O ATOM 365 NE2 GLN A 390 -3.343 -2.854 7.566 1.00 0.00 N ATOM 0 H GLN A 390 1.296 -5.041 8.015 1.00 0.00 H new ATOM 0 HA GLN A 390 1.099 -3.669 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 390 0.612 -2.958 8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 390 0.389 -1.764 7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 390 -1.231 -3.303 6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 390 -1.046 -4.434 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 390 -3.544 -3.490 6.795 1.00 0.00 H new ATOM 0 HE22 GLN A 390 -4.107 -2.384 8.052 1.00 0.00 H new ATOM 374 N ALA A 391 3.640 -2.833 7.439 1.00 0.00 N ATOM 375 CA ALA A 391 4.865 -2.044 7.480 1.00 0.00 C ATOM 376 C ALA A 391 5.629 -2.142 6.164 1.00 0.00 C ATOM 377 O ALA A 391 6.079 -1.134 5.618 1.00 0.00 O ATOM 378 CB ALA A 391 5.744 -2.496 8.637 1.00 0.00 C ATOM 0 H ALA A 391 3.575 -3.548 8.164 1.00 0.00 H new ATOM 0 HA ALA A 391 4.589 -1.000 7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 391 6.656 -1.899 8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 391 5.205 -2.366 9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 391 6.002 -3.547 8.509 1.00 0.00 H new ATOM 384 N VAL A 392 5.773 -3.363 5.658 1.00 0.00 N ATOM 385 CA VAL A 392 6.484 -3.593 4.406 1.00 0.00 C ATOM 386 C VAL A 392 5.691 -3.054 3.220 1.00 0.00 C ATOM 387 O VAL A 392 6.257 -2.453 2.306 1.00 0.00 O ATOM 388 CB VAL A 392 6.764 -5.093 4.187 1.00 0.00 C ATOM 389 CG1 VAL A 392 7.638 -5.298 2.959 1.00 0.00 C ATOM 390 CG2 VAL A 392 7.412 -5.702 5.420 1.00 0.00 C ATOM 0 H VAL A 392 5.407 -4.208 6.096 1.00 0.00 H new ATOM 0 HA VAL A 392 7.433 -3.062 4.476 1.00 0.00 H new ATOM 0 HB VAL A 392 5.814 -5.600 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 392 7.826 -6.363 2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 392 7.130 -4.901 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 392 8.586 -4.777 3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 392 7.602 -6.761 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 392 8.354 -5.193 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 392 6.745 -5.589 6.275 1.00 0.00 H new ATOM 400 N PHE A 393 4.381 -3.275 3.238 1.00 0.00 N ATOM 401 CA PHE A 393 3.512 -2.813 2.163 1.00 0.00 C ATOM 402 C PHE A 393 3.578 -1.295 2.020 1.00 0.00 C ATOM 403 O PHE A 393 3.523 -0.763 0.913 1.00 0.00 O ATOM 404 CB PHE A 393 2.069 -3.249 2.421 1.00 0.00 C ATOM 405 CG PHE A 393 1.143 -2.970 1.273 1.00 0.00 C ATOM 406 CD1 PHE A 393 0.489 -1.752 1.173 1.00 0.00 C ATOM 407 CD2 PHE A 393 0.926 -3.925 0.292 1.00 0.00 C ATOM 408 CE1 PHE A 393 -0.365 -1.492 0.118 1.00 0.00 C ATOM 409 CE2 PHE A 393 0.074 -3.671 -0.766 1.00 0.00 C ATOM 410 CZ PHE A 393 -0.571 -2.453 -0.853 1.00 0.00 C ATOM 0 H PHE A 393 3.898 -3.772 3.986 1.00 0.00 H new ATOM 0 HA PHE A 393 3.860 -3.262 1.233 1.00 0.00 H new ATOM 0 HB2 PHE A 393 2.054 -4.317 2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 393 1.697 -2.738 3.309 1.00 0.00 H new ATOM 0 HD1 PHE A 393 0.649 -0.997 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 393 1.429 -4.879 0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 393 -0.870 -0.540 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 393 -0.087 -4.424 -1.523 1.00 0.00 H new ATOM 0 HZ PHE A 393 -1.236 -2.252 -1.680 1.00 0.00 H new ATOM 420 N ALA A 394 3.695 -0.604 3.149 1.00 0.00 N ATOM 421 CA ALA A 394 3.767 0.852 3.149 1.00 0.00 C ATOM 422 C ALA A 394 5.055 1.337 2.492 1.00 0.00 C ATOM 423 O ALA A 394 5.050 2.311 1.739 1.00 0.00 O ATOM 424 CB ALA A 394 3.662 1.387 4.570 1.00 0.00 C ATOM 0 H ALA A 394 3.742 -1.029 4.075 1.00 0.00 H new ATOM 0 HA ALA A 394 2.927 1.233 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 394 3.717 2.475 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 394 2.712 1.078 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 394 4.482 0.991 5.169 1.00 0.00 H new ATOM 430 N ARG A 395 6.156 0.652 2.782 1.00 0.00 N ATOM 431 CA ARG A 395 7.451 1.015 2.218 1.00 0.00 C ATOM 432 C ARG A 395 7.442 0.875 0.699 1.00 0.00 C ATOM 433 O ARG A 395 7.809 1.802 -0.021 1.00 0.00 O ATOM 434 CB ARG A 395 8.554 0.140 2.816 1.00 0.00 C ATOM 435 CG ARG A 395 9.959 0.613 2.476 1.00 0.00 C ATOM 436 CD ARG A 395 11.010 -0.375 2.958 1.00 0.00 C ATOM 437 NE ARG A 395 12.352 -0.007 2.513 1.00 0.00 N ATOM 438 CZ ARG A 395 13.089 0.941 3.087 1.00 0.00 C ATOM 439 NH1 ARG A 395 12.620 1.618 4.128 1.00 0.00 N ATOM 440 NH2 ARG A 395 14.301 1.212 2.619 1.00 0.00 N ATOM 0 H ARG A 395 6.178 -0.157 3.403 1.00 0.00 H new ATOM 0 HA ARG A 395 7.648 2.058 2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 395 8.440 0.117 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 395 8.428 -0.883 2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 395 10.049 0.745 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 395 10.137 1.587 2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 395 10.990 -0.424 4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 395 10.767 -1.372 2.590 1.00 0.00 H new ATOM 0 HE ARG A 395 12.747 -0.506 1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 395 11.690 1.413 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 395 13.190 2.343 4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 395 14.667 0.694 1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 395 14.867 1.938 3.058 1.00 0.00 H new ATOM 454 N VAL A 396 7.020 -0.291 0.220 1.00 0.00 N ATOM 455 CA VAL A 396 6.962 -0.551 -1.213 1.00 0.00 C ATOM 456 C VAL A 396 5.888 0.298 -1.882 1.00 0.00 C ATOM 457 O VAL A 396 6.017 0.676 -3.045 1.00 0.00 O ATOM 458 CB VAL A 396 6.679 -2.038 -1.502 1.00 0.00 C ATOM 459 CG1 VAL A 396 7.830 -2.905 -1.014 1.00 0.00 C ATOM 460 CG2 VAL A 396 5.369 -2.467 -0.863 1.00 0.00 C ATOM 0 H VAL A 396 6.714 -1.070 0.803 1.00 0.00 H new ATOM 0 HA VAL A 396 7.937 -0.287 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 396 6.588 -2.169 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.613 -3.952 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 396 8.747 -2.614 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 396 7.956 -2.771 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 396 5.187 -3.520 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 396 5.426 -2.322 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 396 4.553 -1.868 -1.267 1.00 0.00 H new ATOM 470 N ALA A 397 4.827 0.593 -1.138 1.00 0.00 N ATOM 471 CA ALA A 397 3.727 1.397 -1.659 1.00 0.00 C ATOM 472 C ALA A 397 4.075 2.883 -1.638 1.00 0.00 C ATOM 473 O ALA A 397 4.387 3.471 -2.672 1.00 0.00 O ATOM 474 CB ALA A 397 2.460 1.138 -0.859 1.00 0.00 C ATOM 0 H ALA A 397 4.705 0.287 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 397 3.555 1.106 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 397 1.647 1.744 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 397 2.194 0.083 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 397 2.629 1.400 0.185 1.00 0.00 H new ATOM 480 N PHE A 398 4.017 3.482 -0.453 1.00 0.00 N ATOM 481 CA PHE A 398 4.324 4.899 -0.298 1.00 0.00 C ATOM 482 C PHE A 398 5.378 5.112 0.783 1.00 0.00 C ATOM 483 O PHE A 398 5.161 4.789 1.949 1.00 0.00 O ATOM 484 CB PHE A 398 3.056 5.681 0.049 1.00 0.00 C ATOM 485 CG PHE A 398 2.303 5.117 1.220 1.00 0.00 C ATOM 486 CD1 PHE A 398 1.592 3.934 1.098 1.00 0.00 C ATOM 487 CD2 PHE A 398 2.308 5.769 2.442 1.00 0.00 C ATOM 488 CE1 PHE A 398 0.899 3.412 2.174 1.00 0.00 C ATOM 489 CE2 PHE A 398 1.617 5.253 3.522 1.00 0.00 C ATOM 490 CZ PHE A 398 0.911 4.073 3.388 1.00 0.00 C ATOM 0 H PHE A 398 3.760 3.009 0.413 1.00 0.00 H new ATOM 0 HA PHE A 398 4.721 5.265 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 398 3.325 6.715 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 398 2.399 5.697 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 398 1.579 3.414 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 398 2.858 6.692 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 398 0.349 2.489 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 398 1.629 5.771 4.469 1.00 0.00 H new ATOM 0 HZ PHE A 398 0.370 3.668 4.230 1.00 0.00 H new ATOM 500 N ASN A 399 6.522 5.661 0.387 1.00 0.00 N ATOM 501 CA ASN A 399 7.612 5.919 1.322 1.00 0.00 C ATOM 502 C ASN A 399 7.365 7.208 2.099 1.00 0.00 C ATOM 503 O ASN A 399 7.686 8.299 1.630 1.00 0.00 O ATOM 504 CB ASN A 399 8.943 6.008 0.574 1.00 0.00 C ATOM 505 CG ASN A 399 10.110 5.519 1.410 1.00 0.00 C ATOM 506 OD1 ASN A 399 10.152 5.731 2.623 1.00 0.00 O ATOM 507 ND2 ASN A 399 11.065 4.862 0.764 1.00 0.00 N ATOM 0 H ASN A 399 6.719 5.936 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 399 7.656 5.091 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 399 8.883 5.418 -0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 399 9.121 7.041 0.276 1.00 0.00 H new ATOM 0 HD21 ASN A 399 11.876 4.510 1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 399 10.988 4.709 -0.242 1.00 0.00 H new ATOM 514 N ARG A 400 6.795 7.072 3.292 1.00 0.00 N ATOM 515 CA ARG A 400 6.506 8.227 4.136 1.00 0.00 C ATOM 516 C ARG A 400 6.687 7.880 5.611 1.00 0.00 C ATOM 517 O ARG A 400 7.568 8.418 6.281 1.00 0.00 O ATOM 518 CB ARG A 400 5.081 8.723 3.889 1.00 0.00 C ATOM 519 CG ARG A 400 4.898 10.208 4.153 1.00 0.00 C ATOM 520 CD ARG A 400 3.506 10.676 3.764 1.00 0.00 C ATOM 521 NE ARG A 400 3.250 12.050 4.190 1.00 0.00 N ATOM 522 CZ ARG A 400 2.273 12.809 3.701 1.00 0.00 C ATOM 523 NH1 ARG A 400 1.456 12.334 2.770 1.00 0.00 N ATOM 524 NH2 ARG A 400 2.111 14.049 4.146 1.00 0.00 N ATOM 0 H ARG A 400 6.524 6.175 3.696 1.00 0.00 H new ATOM 0 HA ARG A 400 7.208 9.019 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 400 4.805 8.510 2.856 1.00 0.00 H new ATOM 0 HB3 ARG A 400 4.395 8.163 4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 400 5.070 10.415 5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 400 5.643 10.773 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 400 3.389 10.604 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 400 2.764 10.014 4.210 1.00 0.00 H new ATOM 0 HE ARG A 400 3.857 12.451 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 400 1.575 11.382 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 400 0.709 12.921 2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 400 2.735 14.419 4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 400 1.362 14.631 3.771 1.00 0.00 H new ATOM 538 N THR A 401 5.844 6.980 6.108 1.00 0.00 N ATOM 539 CA THR A 401 5.911 6.561 7.503 1.00 0.00 C ATOM 540 C THR A 401 5.508 5.098 7.655 1.00 0.00 C ATOM 541 O THR A 401 4.804 4.547 6.810 1.00 0.00 O ATOM 542 CB THR A 401 5.002 7.432 8.394 1.00 0.00 C ATOM 543 OG1 THR A 401 4.060 8.146 7.584 1.00 0.00 O ATOM 544 CG2 THR A 401 5.826 8.420 9.208 1.00 0.00 C ATOM 0 H THR A 401 5.108 6.528 5.566 1.00 0.00 H new ATOM 0 HA THR A 401 6.945 6.684 7.824 1.00 0.00 H new ATOM 0 HB THR A 401 4.468 6.775 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 401 3.832 8.994 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 401 5.163 9.023 9.828 1.00 0.00 H new ATOM 0 HG22 THR A 401 6.523 7.875 9.845 1.00 0.00 H new ATOM 0 HG23 THR A 401 6.384 9.071 8.534 1.00 0.00 H new ATOM 552 N GLN A 402 5.963 4.473 8.737 1.00 0.00 N ATOM 553 CA GLN A 402 5.651 3.073 8.999 1.00 0.00 C ATOM 554 C GLN A 402 4.373 2.943 9.821 1.00 0.00 C ATOM 555 O GLN A 402 3.618 1.982 9.666 1.00 0.00 O ATOM 556 CB GLN A 402 6.813 2.398 9.730 1.00 0.00 C ATOM 557 CG GLN A 402 6.684 0.885 9.811 1.00 0.00 C ATOM 558 CD GLN A 402 6.327 0.405 11.205 1.00 0.00 C ATOM 559 OE1 GLN A 402 5.393 0.908 11.828 1.00 0.00 O ATOM 560 NE2 GLN A 402 7.072 -0.576 11.702 1.00 0.00 N ATOM 0 H GLN A 402 6.549 4.914 9.446 1.00 0.00 H new ATOM 0 HA GLN A 402 5.496 2.577 8.041 1.00 0.00 H new ATOM 0 HB2 GLN A 402 7.745 2.648 9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 402 6.881 2.803 10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 402 5.920 0.551 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 402 7.623 0.427 9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 402 7.837 -0.965 11.151 1.00 0.00 H new ATOM 0 HE22 GLN A 402 6.879 -0.941 12.635 1.00 0.00 H new ATOM 569 N GLY A 403 4.135 3.914 10.697 1.00 0.00 N ATOM 570 CA GLY A 403 2.948 3.887 11.530 1.00 0.00 C ATOM 571 C GLY A 403 1.814 4.711 10.952 1.00 0.00 C ATOM 572 O GLY A 403 0.958 5.204 11.687 1.00 0.00 O ATOM 0 H GLY A 403 4.744 4.719 10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 403 2.618 2.856 11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.196 4.262 12.523 1.00 0.00 H new ATOM 576 N LEU A 404 1.806 4.863 9.631 1.00 0.00 N ATOM 577 CA LEU A 404 0.769 5.633 8.956 1.00 0.00 C ATOM 578 C LEU A 404 -0.290 4.714 8.357 1.00 0.00 C ATOM 579 O LEU A 404 -1.488 4.949 8.510 1.00 0.00 O ATOM 580 CB LEU A 404 1.385 6.505 7.860 1.00 0.00 C ATOM 581 CG LEU A 404 0.496 7.645 7.364 1.00 0.00 C ATOM 582 CD1 LEU A 404 0.620 8.854 8.276 1.00 0.00 C ATOM 583 CD2 LEU A 404 0.856 8.016 5.932 1.00 0.00 C ATOM 0 H LEU A 404 2.507 4.463 9.007 1.00 0.00 H new ATOM 0 HA LEU A 404 0.289 6.275 9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 404 2.317 6.928 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 404 1.641 5.869 7.012 1.00 0.00 H new ATOM 0 HG LEU A 404 -0.540 7.307 7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 404 -0.020 9.655 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 404 0.314 8.581 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 404 1.655 9.194 8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 404 0.214 8.829 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 404 1.897 8.335 5.890 1.00 0.00 H new ATOM 0 HD23 LEU A 404 0.715 7.150 5.285 1.00 0.00 H new ATOM 595 N LEU A 405 0.161 3.666 7.674 1.00 0.00 N ATOM 596 CA LEU A 405 -0.749 2.711 7.051 1.00 0.00 C ATOM 597 C LEU A 405 -1.682 2.090 8.085 1.00 0.00 C ATOM 598 O LEU A 405 -2.843 1.803 7.794 1.00 0.00 O ATOM 599 CB LEU A 405 0.042 1.613 6.336 1.00 0.00 C ATOM 600 CG LEU A 405 -0.726 0.870 5.242 1.00 0.00 C ATOM 601 CD1 LEU A 405 0.217 0.431 4.132 1.00 0.00 C ATOM 602 CD2 LEU A 405 -1.458 -0.328 5.826 1.00 0.00 C ATOM 0 H LEU A 405 1.150 3.457 7.538 1.00 0.00 H new ATOM 0 HA LEU A 405 -1.354 3.249 6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 405 0.934 2.058 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 405 0.380 0.889 7.077 1.00 0.00 H new ATOM 0 HG LEU A 405 -1.464 1.550 4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 405 -0.347 -0.096 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 405 0.697 1.307 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 405 0.978 -0.233 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 405 -1.999 -0.845 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 405 -0.738 -1.010 6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 405 -2.163 0.011 6.585 1.00 0.00 H new ATOM 614 N SER A 406 -1.166 1.886 9.292 1.00 0.00 N ATOM 615 CA SER A 406 -1.953 1.300 10.370 1.00 0.00 C ATOM 616 C SER A 406 -3.021 2.275 10.856 1.00 0.00 C ATOM 617 O SER A 406 -4.094 1.866 11.301 1.00 0.00 O ATOM 618 CB SER A 406 -1.043 0.900 11.534 1.00 0.00 C ATOM 619 OG SER A 406 -1.400 -0.373 12.045 1.00 0.00 O ATOM 0 H SER A 406 -0.206 2.118 9.548 1.00 0.00 H new ATOM 0 HA SER A 406 -2.449 0.410 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 406 -0.006 0.884 11.200 1.00 0.00 H new ATOM 0 HB3 SER A 406 -1.111 1.646 12.326 1.00 0.00 H new ATOM 0 HG SER A 406 -0.803 -0.607 12.786 1.00 0.00 H new ATOM 625 N GLU A 407 -2.721 3.567 10.768 1.00 0.00 N ATOM 626 CA GLU A 407 -3.655 4.600 11.199 1.00 0.00 C ATOM 627 C GLU A 407 -4.728 4.843 10.141 1.00 0.00 C ATOM 628 O GLU A 407 -5.897 5.052 10.465 1.00 0.00 O ATOM 629 CB GLU A 407 -2.906 5.903 11.490 1.00 0.00 C ATOM 630 CG GLU A 407 -3.663 6.848 12.408 1.00 0.00 C ATOM 631 CD GLU A 407 -2.742 7.638 13.318 1.00 0.00 C ATOM 632 OE1 GLU A 407 -2.264 8.710 12.891 1.00 0.00 O ATOM 633 OE2 GLU A 407 -2.501 7.185 14.456 1.00 0.00 O ATOM 0 H GLU A 407 -1.838 3.923 10.402 1.00 0.00 H new ATOM 0 HA GLU A 407 -4.143 4.255 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 407 -1.943 5.665 11.941 1.00 0.00 H new ATOM 0 HB3 GLU A 407 -2.700 6.412 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 407 -4.253 7.539 11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 407 -4.364 6.275 13.015 1.00 0.00 H new ATOM 640 N ILE A 408 -4.322 4.811 8.877 1.00 0.00 N ATOM 641 CA ILE A 408 -5.250 5.028 7.772 1.00 0.00 C ATOM 642 C ILE A 408 -6.310 3.932 7.724 1.00 0.00 C ATOM 643 O ILE A 408 -7.507 4.214 7.667 1.00 0.00 O ATOM 644 CB ILE A 408 -4.513 5.076 6.419 1.00 0.00 C ATOM 645 CG1 ILE A 408 -3.362 6.083 6.474 1.00 0.00 C ATOM 646 CG2 ILE A 408 -5.480 5.433 5.298 1.00 0.00 C ATOM 647 CD1 ILE A 408 -2.155 5.667 5.661 1.00 0.00 C ATOM 0 H ILE A 408 -3.358 4.637 8.591 1.00 0.00 H new ATOM 0 HA ILE A 408 -5.732 5.990 7.947 1.00 0.00 H new ATOM 0 HB ILE A 408 -4.099 4.088 6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 408 -3.717 7.049 6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 408 -3.060 6.221 7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 408 -4.943 5.463 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 408 -6.269 4.683 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 408 -5.921 6.410 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 408 -1.379 6.428 5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 408 -1.774 4.717 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 408 -2.441 5.557 4.615 1.00 0.00 H new ATOM 659 N LEU A 409 -5.864 2.680 7.748 1.00 0.00 N ATOM 660 CA LEU A 409 -6.775 1.542 7.707 1.00 0.00 C ATOM 661 C LEU A 409 -7.730 1.568 8.896 1.00 0.00 C ATOM 662 O LEU A 409 -8.910 1.246 8.766 1.00 0.00 O ATOM 663 CB LEU A 409 -5.989 0.230 7.695 1.00 0.00 C ATOM 664 CG LEU A 409 -5.633 -0.298 6.305 1.00 0.00 C ATOM 665 CD1 LEU A 409 -6.894 -0.607 5.513 1.00 0.00 C ATOM 666 CD2 LEU A 409 -4.766 0.704 5.559 1.00 0.00 C ATOM 0 H LEU A 409 -4.877 2.428 7.796 1.00 0.00 H new ATOM 0 HA LEU A 409 -7.362 1.611 6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 409 -5.068 0.371 8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 409 -6.571 -0.529 8.217 1.00 0.00 H new ATOM 0 HG LEU A 409 -5.066 -1.221 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 409 -6.621 -0.982 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 409 -7.478 -1.362 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 409 -7.487 0.301 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 409 -4.523 0.311 4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 409 -5.307 1.644 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 409 -3.846 0.876 6.118 1.00 0.00 H new ATOM 678 N ARG A 410 -7.210 1.954 10.058 1.00 0.00 N ATOM 679 CA ARG A 410 -8.015 2.022 11.271 1.00 0.00 C ATOM 680 C ARG A 410 -9.153 3.026 11.113 1.00 0.00 C ATOM 681 O ARG A 410 -10.260 2.808 11.604 1.00 0.00 O ATOM 682 CB ARG A 410 -7.141 2.405 12.469 1.00 0.00 C ATOM 683 CG ARG A 410 -7.378 1.542 13.697 1.00 0.00 C ATOM 684 CD ARG A 410 -8.757 1.783 14.292 1.00 0.00 C ATOM 685 NE ARG A 410 -9.640 0.633 14.113 1.00 0.00 N ATOM 686 CZ ARG A 410 -10.964 0.687 14.244 1.00 0.00 C ATOM 687 NH1 ARG A 410 -11.561 1.830 14.552 1.00 0.00 N ATOM 688 NH2 ARG A 410 -11.692 -0.407 14.064 1.00 0.00 N ATOM 0 H ARG A 410 -6.235 2.224 10.184 1.00 0.00 H new ATOM 0 HA ARG A 410 -8.446 1.037 11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 410 -6.092 2.332 12.181 1.00 0.00 H new ATOM 0 HB3 ARG A 410 -7.329 3.447 12.726 1.00 0.00 H new ATOM 0 HG2 ARG A 410 -7.275 0.490 13.429 1.00 0.00 H new ATOM 0 HG3 ARG A 410 -6.615 1.756 14.446 1.00 0.00 H new ATOM 0 HD2 ARG A 410 -8.660 2.003 15.355 1.00 0.00 H new ATOM 0 HD3 ARG A 410 -9.205 2.660 13.825 1.00 0.00 H new ATOM 0 HE ARG A 410 -9.217 -0.264 13.874 1.00 0.00 H new ATOM 0 HH11 ARG A 410 -11.006 2.674 14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 410 -12.576 1.865 14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 410 -11.238 -1.288 13.826 1.00 0.00 H new ATOM 0 HH22 ARG A 410 -12.706 -0.367 14.164 1.00 0.00 H new ATOM 702 N LYS A 411 -8.870 4.128 10.425 1.00 0.00 N ATOM 703 CA LYS A 411 -9.871 5.167 10.202 1.00 0.00 C ATOM 704 C LYS A 411 -11.030 4.635 9.366 1.00 0.00 C ATOM 705 O LYS A 411 -12.197 4.834 9.707 1.00 0.00 O ATOM 706 CB LYS A 411 -9.237 6.373 9.507 1.00 0.00 C ATOM 707 CG LYS A 411 -8.306 7.172 10.405 1.00 0.00 C ATOM 708 CD LYS A 411 -8.951 8.470 10.864 1.00 0.00 C ATOM 709 CE LYS A 411 -8.610 8.780 12.312 1.00 0.00 C ATOM 710 NZ LYS A 411 -7.309 9.494 12.435 1.00 0.00 N ATOM 0 H LYS A 411 -7.958 4.325 10.013 1.00 0.00 H new ATOM 0 HA LYS A 411 -10.259 5.478 11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -8.681 6.029 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -10.028 7.029 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -8.034 6.573 11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -7.383 7.393 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -8.616 9.289 10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -10.033 8.400 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -9.401 9.389 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -8.570 7.852 12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -7.113 9.687 13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -6.550 8.902 12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -7.355 10.392 11.912 1.00 0.00 H new ATOM 724 N GLU A 412 -10.703 3.958 8.271 1.00 0.00 N ATOM 725 CA GLU A 412 -11.717 3.398 7.386 1.00 0.00 C ATOM 726 C GLU A 412 -12.610 4.495 6.817 1.00 0.00 C ATOM 727 O GLU A 412 -13.795 4.275 6.561 1.00 0.00 O ATOM 728 CB GLU A 412 -12.568 2.371 8.137 1.00 0.00 C ATOM 729 CG GLU A 412 -13.490 1.569 7.234 1.00 0.00 C ATOM 730 CD GLU A 412 -13.610 0.120 7.663 1.00 0.00 C ATOM 731 OE1 GLU A 412 -14.427 -0.168 8.564 1.00 0.00 O ATOM 732 OE2 GLU A 412 -12.886 -0.728 7.100 1.00 0.00 O ATOM 0 H GLU A 412 -9.743 3.784 7.975 1.00 0.00 H new ATOM 0 HA GLU A 412 -11.208 2.904 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 412 -11.909 1.686 8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 412 -13.167 2.887 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 412 -14.479 2.027 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 412 -13.117 1.611 6.211 1.00 0.00 H new ATOM 739 N GLU A 413 -12.034 5.677 6.620 1.00 0.00 N ATOM 740 CA GLU A 413 -12.779 6.808 6.081 1.00 0.00 C ATOM 741 C GLU A 413 -12.591 6.913 4.571 1.00 0.00 C ATOM 742 O GLU A 413 -11.549 6.535 4.038 1.00 0.00 O ATOM 743 CB GLU A 413 -12.333 8.108 6.759 1.00 0.00 C ATOM 744 CG GLU A 413 -13.482 8.909 7.350 1.00 0.00 C ATOM 745 CD GLU A 413 -13.076 9.678 8.592 1.00 0.00 C ATOM 746 OE1 GLU A 413 -12.273 9.144 9.385 1.00 0.00 O ATOM 747 OE2 GLU A 413 -13.564 10.814 8.772 1.00 0.00 O ATOM 0 H GLU A 413 -11.055 5.876 6.825 1.00 0.00 H new ATOM 0 HA GLU A 413 -13.838 6.646 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -11.622 7.870 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -11.806 8.726 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -13.857 9.607 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -14.302 8.234 7.596 1.00 0.00 H new ATOM 754 N ASP A 414 -13.606 7.430 3.886 1.00 0.00 N ATOM 755 CA ASP A 414 -13.552 7.585 2.438 1.00 0.00 C ATOM 756 C ASP A 414 -12.585 8.699 2.043 1.00 0.00 C ATOM 757 O ASP A 414 -12.414 9.672 2.777 1.00 0.00 O ATOM 758 CB ASP A 414 -14.947 7.884 1.883 1.00 0.00 C ATOM 759 CG ASP A 414 -15.815 6.645 1.805 1.00 0.00 C ATOM 760 OD1 ASP A 414 -15.903 5.915 2.816 1.00 0.00 O ATOM 761 OD2 ASP A 414 -16.410 6.402 0.734 1.00 0.00 O ATOM 0 H ASP A 414 -14.476 7.749 4.312 1.00 0.00 H new ATOM 0 HA ASP A 414 -13.192 6.649 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -15.435 8.627 2.514 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -14.854 8.322 0.889 1.00 0.00 H new ATOM 766 N PRO A 415 -11.936 8.569 0.874 1.00 0.00 N ATOM 767 CA PRO A 415 -10.981 9.569 0.385 1.00 0.00 C ATOM 768 C PRO A 415 -11.667 10.832 -0.133 1.00 0.00 C ATOM 769 O PRO A 415 -11.002 11.808 -0.480 1.00 0.00 O ATOM 770 CB PRO A 415 -10.272 8.842 -0.758 1.00 0.00 C ATOM 771 CG PRO A 415 -11.275 7.864 -1.262 1.00 0.00 C ATOM 772 CD PRO A 415 -12.079 7.437 -0.064 1.00 0.00 C ATOM 0 HA PRO A 415 -10.314 9.915 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 415 -9.968 9.537 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 415 -9.370 8.340 -0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 415 -11.915 8.317 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 415 -10.786 7.009 -1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 415 -13.123 7.262 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 415 -11.697 6.511 0.365 1.00 0.00 H new ATOM 780 N LYS A 416 -12.996 10.809 -0.183 1.00 0.00 N ATOM 781 CA LYS A 416 -13.761 11.956 -0.661 1.00 0.00 C ATOM 782 C LYS A 416 -13.682 13.117 0.324 1.00 0.00 C ATOM 783 O LYS A 416 -13.737 14.282 -0.069 1.00 0.00 O ATOM 784 CB LYS A 416 -15.221 11.561 -0.886 1.00 0.00 C ATOM 785 CG LYS A 416 -15.415 10.562 -2.016 1.00 0.00 C ATOM 786 CD LYS A 416 -16.879 10.191 -2.186 1.00 0.00 C ATOM 787 CE LYS A 416 -17.672 11.330 -2.808 1.00 0.00 C ATOM 788 NZ LYS A 416 -17.557 11.340 -4.294 1.00 0.00 N ATOM 0 H LYS A 416 -13.564 10.011 0.101 1.00 0.00 H new ATOM 0 HA LYS A 416 -13.327 12.280 -1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -15.620 11.136 0.035 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -15.802 12.458 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -15.035 10.985 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -14.832 9.664 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -16.960 9.304 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -17.306 9.936 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -18.721 11.239 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -17.316 12.280 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -18.111 12.131 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -16.559 11.452 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -17.920 10.444 -4.676 1.00 0.00 H new ATOM 802 N THR A 417 -13.555 12.792 1.607 1.00 0.00 N ATOM 803 CA THR A 417 -13.472 13.812 2.647 1.00 0.00 C ATOM 804 C THR A 417 -12.245 13.607 3.531 1.00 0.00 C ATOM 805 O THR A 417 -12.192 14.095 4.660 1.00 0.00 O ATOM 806 CB THR A 417 -14.731 13.812 3.529 1.00 0.00 C ATOM 807 OG1 THR A 417 -14.662 14.875 4.486 1.00 0.00 O ATOM 808 CG2 THR A 417 -14.890 12.482 4.253 1.00 0.00 C ATOM 0 H THR A 417 -13.507 11.833 1.951 1.00 0.00 H new ATOM 0 HA THR A 417 -13.389 14.773 2.139 1.00 0.00 H new ATOM 0 HB THR A 417 -15.596 13.961 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 417 -13.778 14.878 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 417 -15.788 12.509 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 417 -14.976 11.678 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 417 -14.020 12.306 4.886 1.00 0.00 H new ATOM 816 N ALA A 418 -11.261 12.884 3.011 1.00 0.00 N ATOM 817 CA ALA A 418 -10.034 12.615 3.752 1.00 0.00 C ATOM 818 C ALA A 418 -9.074 13.797 3.673 1.00 0.00 C ATOM 819 O ALA A 418 -9.296 14.741 2.914 1.00 0.00 O ATOM 820 CB ALA A 418 -9.366 11.354 3.227 1.00 0.00 C ATOM 0 H ALA A 418 -11.288 12.473 2.078 1.00 0.00 H new ATOM 0 HA ALA A 418 -10.297 12.464 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 418 -8.451 11.166 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 418 -10.044 10.508 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 418 -9.123 11.483 2.172 1.00 0.00 H new ATOM 826 N SER A 419 -8.006 13.739 4.461 1.00 0.00 N ATOM 827 CA SER A 419 -7.011 14.805 4.479 1.00 0.00 C ATOM 828 C SER A 419 -6.145 14.763 3.225 1.00 0.00 C ATOM 829 O SER A 419 -6.236 13.830 2.425 1.00 0.00 O ATOM 830 CB SER A 419 -6.129 14.687 5.724 1.00 0.00 C ATOM 831 OG SER A 419 -5.215 15.765 5.805 1.00 0.00 O ATOM 0 H SER A 419 -7.807 12.965 5.095 1.00 0.00 H new ATOM 0 HA SER A 419 -7.538 15.759 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 419 -6.755 14.669 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 419 -5.583 13.744 5.698 1.00 0.00 H new ATOM 0 HG SER A 419 -4.664 15.667 6.610 1.00 0.00 H new ATOM 837 N GLN A 420 -5.305 15.778 3.058 1.00 0.00 N ATOM 838 CA GLN A 420 -4.422 15.856 1.899 1.00 0.00 C ATOM 839 C GLN A 420 -3.291 14.839 2.007 1.00 0.00 C ATOM 840 O GLN A 420 -2.794 14.340 0.998 1.00 0.00 O ATOM 841 CB GLN A 420 -3.844 17.268 1.766 1.00 0.00 C ATOM 842 CG GLN A 420 -3.049 17.719 2.982 1.00 0.00 C ATOM 843 CD GLN A 420 -3.875 18.549 3.942 1.00 0.00 C ATOM 844 OE1 GLN A 420 -5.102 18.439 3.981 1.00 0.00 O ATOM 845 NE2 GLN A 420 -3.209 19.389 4.726 1.00 0.00 N ATOM 0 H GLN A 420 -5.216 16.558 3.709 1.00 0.00 H new ATOM 0 HA GLN A 420 -5.009 15.626 1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 420 -3.200 17.307 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 420 -4.660 17.971 1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 420 -2.662 16.844 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 420 -2.188 18.300 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 420 -2.193 19.449 4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 420 -3.714 19.974 5.392 1.00 0.00 H new ATOM 854 N SER A 421 -2.889 14.534 3.238 1.00 0.00 N ATOM 855 CA SER A 421 -1.818 13.575 3.476 1.00 0.00 C ATOM 856 C SER A 421 -2.253 12.167 3.084 1.00 0.00 C ATOM 857 O SER A 421 -1.488 11.419 2.474 1.00 0.00 O ATOM 858 CB SER A 421 -1.400 13.602 4.948 1.00 0.00 C ATOM 859 OG SER A 421 -2.514 13.389 5.799 1.00 0.00 O ATOM 0 H SER A 421 -3.290 14.938 4.085 1.00 0.00 H new ATOM 0 HA SER A 421 -0.966 13.857 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 421 -0.648 12.835 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 421 -0.939 14.562 5.181 1.00 0.00 H new ATOM 0 HG SER A 421 -2.220 13.409 6.734 1.00 0.00 H new ATOM 865 N LEU A 422 -3.484 11.812 3.438 1.00 0.00 N ATOM 866 CA LEU A 422 -4.018 10.494 3.121 1.00 0.00 C ATOM 867 C LEU A 422 -4.214 10.332 1.617 1.00 0.00 C ATOM 868 O LEU A 422 -3.926 9.278 1.053 1.00 0.00 O ATOM 869 CB LEU A 422 -5.346 10.269 3.848 1.00 0.00 C ATOM 870 CG LEU A 422 -5.639 8.817 4.226 1.00 0.00 C ATOM 871 CD1 LEU A 422 -7.014 8.697 4.863 1.00 0.00 C ATOM 872 CD2 LEU A 422 -5.535 7.916 3.003 1.00 0.00 C ATOM 0 H LEU A 422 -4.129 12.419 3.944 1.00 0.00 H new ATOM 0 HA LEU A 422 -3.297 9.748 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.353 10.873 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -6.155 10.634 3.216 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.895 8.495 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -7.204 7.656 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -7.053 9.311 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -7.772 9.038 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -5.747 6.886 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -6.256 8.238 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.528 7.978 2.590 1.00 0.00 H new ATOM 884 N LEU A 423 -4.704 11.387 0.971 1.00 0.00 N ATOM 885 CA LEU A 423 -4.936 11.362 -0.468 1.00 0.00 C ATOM 886 C LEU A 423 -3.647 11.042 -1.220 1.00 0.00 C ATOM 887 O LEU A 423 -3.671 10.407 -2.273 1.00 0.00 O ATOM 888 CB LEU A 423 -5.501 12.705 -0.939 1.00 0.00 C ATOM 889 CG LEU A 423 -7.015 12.733 -1.148 1.00 0.00 C ATOM 890 CD1 LEU A 423 -7.405 11.877 -2.343 1.00 0.00 C ATOM 891 CD2 LEU A 423 -7.735 12.259 0.106 1.00 0.00 C ATOM 0 H LEU A 423 -4.948 12.269 1.422 1.00 0.00 H new ATOM 0 HA LEU A 423 -5.663 10.578 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -5.236 13.469 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -5.015 12.978 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 423 -7.315 13.761 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 423 -8.486 11.909 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 423 -6.917 12.260 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 423 -7.091 10.847 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 423 -8.812 12.285 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -7.429 11.239 0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -7.481 12.913 0.940 1.00 0.00 H new ATOM 903 N VAL A 424 -2.523 11.487 -0.669 1.00 0.00 N ATOM 904 CA VAL A 424 -1.223 11.249 -1.285 1.00 0.00 C ATOM 905 C VAL A 424 -0.807 9.789 -1.136 1.00 0.00 C ATOM 906 O VAL A 424 -0.179 9.217 -2.027 1.00 0.00 O ATOM 907 CB VAL A 424 -0.135 12.149 -0.666 1.00 0.00 C ATOM 908 CG1 VAL A 424 1.180 11.993 -1.416 1.00 0.00 C ATOM 909 CG2 VAL A 424 -0.584 13.603 -0.657 1.00 0.00 C ATOM 0 H VAL A 424 -2.486 12.015 0.203 1.00 0.00 H new ATOM 0 HA VAL A 424 -1.323 11.490 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 424 0.024 11.836 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 424 1.935 12.636 -0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 424 1.508 10.955 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 424 1.040 12.276 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 424 0.197 14.222 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 424 -0.774 13.931 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 424 -1.497 13.698 -0.069 1.00 0.00 H new ATOM 919 N ASN A 425 -1.163 9.190 -0.003 1.00 0.00 N ATOM 920 CA ASN A 425 -0.827 7.798 0.265 1.00 0.00 C ATOM 921 C ASN A 425 -1.644 6.861 -0.621 1.00 0.00 C ATOM 922 O ASN A 425 -1.115 5.898 -1.176 1.00 0.00 O ATOM 923 CB ASN A 425 -1.070 7.466 1.739 1.00 0.00 C ATOM 924 CG ASN A 425 -0.425 8.471 2.671 1.00 0.00 C ATOM 925 OD1 ASN A 425 -1.047 8.942 3.623 1.00 0.00 O ATOM 926 ND2 ASN A 425 0.831 8.809 2.400 1.00 0.00 N ATOM 0 H ASN A 425 -1.685 9.649 0.744 1.00 0.00 H new ATOM 0 HA ASN A 425 0.229 7.655 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.143 7.434 1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -0.679 6.472 1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 425 1.317 9.483 2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 425 1.310 8.394 1.600 1.00 0.00 H new ATOM 933 N LEU A 426 -2.935 7.151 -0.748 1.00 0.00 N ATOM 934 CA LEU A 426 -3.822 6.333 -1.568 1.00 0.00 C ATOM 935 C LEU A 426 -3.354 6.308 -3.017 1.00 0.00 C ATOM 936 O LEU A 426 -3.509 5.304 -3.714 1.00 0.00 O ATOM 937 CB LEU A 426 -5.256 6.865 -1.492 1.00 0.00 C ATOM 938 CG LEU A 426 -5.812 7.030 -0.077 1.00 0.00 C ATOM 939 CD1 LEU A 426 -6.936 8.054 -0.062 1.00 0.00 C ATOM 940 CD2 LEU A 426 -6.299 5.694 0.464 1.00 0.00 C ATOM 0 H LEU A 426 -3.389 7.944 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 426 -3.798 5.315 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 426 -5.296 7.830 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 426 -5.908 6.189 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 426 -5.010 7.390 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 426 -7.320 8.158 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 426 -6.557 9.016 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 426 -7.739 7.723 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 426 -6.691 5.831 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 426 -7.086 5.305 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 426 -5.469 4.988 0.490 1.00 0.00 H new ATOM 952 N ARG A 427 -2.780 7.419 -3.468 1.00 0.00 N ATOM 953 CA ARG A 427 -2.288 7.526 -4.836 1.00 0.00 C ATOM 954 C ARG A 427 -1.177 6.512 -5.093 1.00 0.00 C ATOM 955 O ARG A 427 -1.266 5.699 -6.013 1.00 0.00 O ATOM 956 CB ARG A 427 -1.777 8.942 -5.108 1.00 0.00 C ATOM 957 CG ARG A 427 -2.135 9.462 -6.490 1.00 0.00 C ATOM 958 CD ARG A 427 -3.553 10.010 -6.529 1.00 0.00 C ATOM 959 NE ARG A 427 -3.642 11.341 -5.935 1.00 0.00 N ATOM 960 CZ ARG A 427 -4.782 11.895 -5.522 1.00 0.00 C ATOM 961 NH1 ARG A 427 -5.928 11.236 -5.635 1.00 0.00 N ATOM 962 NH2 ARG A 427 -4.774 13.110 -4.992 1.00 0.00 N ATOM 0 H ARG A 427 -2.644 8.259 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 427 -3.115 7.312 -5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 427 -2.187 9.618 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 427 -0.693 8.957 -4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 427 -1.433 10.245 -6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 427 -2.034 8.659 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 427 -3.898 10.050 -7.562 1.00 0.00 H new ATOM 0 HD3 ARG A 427 -4.219 9.330 -5.997 1.00 0.00 H new ATOM 0 HE ARG A 427 -2.781 11.878 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 427 -5.940 10.300 -6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 427 -6.797 11.666 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 427 -3.896 13.621 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 427 -5.646 13.534 -4.676 1.00 0.00 H new ATOM 976 N ALA A 428 -0.131 6.568 -4.275 1.00 0.00 N ATOM 977 CA ALA A 428 0.997 5.655 -4.415 1.00 0.00 C ATOM 978 C ALA A 428 0.564 4.209 -4.194 1.00 0.00 C ATOM 979 O ALA A 428 1.112 3.288 -4.798 1.00 0.00 O ATOM 980 CB ALA A 428 2.103 6.031 -3.441 1.00 0.00 C ATOM 0 H ALA A 428 -0.041 7.235 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 428 1.378 5.741 -5.432 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.939 5.341 -3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 428 2.440 7.047 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.724 5.975 -2.421 1.00 0.00 H new ATOM 986 N MET A 429 -0.422 4.019 -3.324 1.00 0.00 N ATOM 987 CA MET A 429 -0.928 2.686 -3.022 1.00 0.00 C ATOM 988 C MET A 429 -1.725 2.126 -4.197 1.00 0.00 C ATOM 989 O MET A 429 -1.672 0.929 -4.480 1.00 0.00 O ATOM 990 CB MET A 429 -1.804 2.722 -1.768 1.00 0.00 C ATOM 991 CG MET A 429 -1.018 2.566 -0.475 1.00 0.00 C ATOM 992 SD MET A 429 -2.042 1.994 0.894 1.00 0.00 S ATOM 993 CE MET A 429 -2.332 3.532 1.766 1.00 0.00 C ATOM 0 H MET A 429 -0.886 4.772 -2.816 1.00 0.00 H new ATOM 0 HA MET A 429 -0.074 2.033 -2.842 1.00 0.00 H new ATOM 0 HB2 MET A 429 -2.348 3.666 -1.742 1.00 0.00 H new ATOM 0 HB3 MET A 429 -2.547 1.927 -1.830 1.00 0.00 H new ATOM 0 HG2 MET A 429 -0.202 1.861 -0.633 1.00 0.00 H new ATOM 0 HG3 MET A 429 -0.566 3.522 -0.211 1.00 0.00 H new ATOM 0 HE1 MET A 429 -1.957 3.448 2.786 1.00 0.00 H new ATOM 0 HE2 MET A 429 -1.814 4.343 1.255 1.00 0.00 H new ATOM 0 HE3 MET A 429 -3.401 3.741 1.788 1.00 0.00 H new ATOM 1003 N GLN A 430 -2.460 2.998 -4.877 1.00 0.00 N ATOM 1004 CA GLN A 430 -3.267 2.590 -6.022 1.00 0.00 C ATOM 1005 C GLN A 430 -2.382 2.139 -7.180 1.00 0.00 C ATOM 1006 O GLN A 430 -2.646 1.116 -7.813 1.00 0.00 O ATOM 1007 CB GLN A 430 -4.169 3.739 -6.472 1.00 0.00 C ATOM 1008 CG GLN A 430 -5.087 3.376 -7.628 1.00 0.00 C ATOM 1009 CD GLN A 430 -5.935 4.546 -8.089 1.00 0.00 C ATOM 1010 OE1 GLN A 430 -5.465 5.419 -8.817 1.00 0.00 O ATOM 1011 NE2 GLN A 430 -7.194 4.566 -7.666 1.00 0.00 N ATOM 0 H GLN A 430 -2.514 3.992 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 430 -3.888 1.749 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 430 -4.775 4.066 -5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 430 -3.547 4.585 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 430 -4.487 3.015 -8.464 1.00 0.00 H new ATOM 0 HG3 GLN A 430 -5.739 2.556 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 430 -7.541 3.820 -7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 430 -7.813 5.327 -7.944 1.00 0.00 H new ATOM 1020 N ASN A 431 -1.333 2.908 -7.451 1.00 0.00 N ATOM 1021 CA ASN A 431 -0.410 2.588 -8.534 1.00 0.00 C ATOM 1022 C ASN A 431 0.241 1.226 -8.311 1.00 0.00 C ATOM 1023 O ASN A 431 0.322 0.409 -9.227 1.00 0.00 O ATOM 1024 CB ASN A 431 0.666 3.669 -8.651 1.00 0.00 C ATOM 1025 CG ASN A 431 0.290 4.752 -9.642 1.00 0.00 C ATOM 1026 OD1 ASN A 431 -0.888 5.047 -9.841 1.00 0.00 O ATOM 1027 ND2 ASN A 431 1.295 5.352 -10.272 1.00 0.00 N ATOM 0 H ASN A 431 -1.101 3.757 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 431 -0.979 2.550 -9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 431 0.834 4.118 -7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 431 1.606 3.211 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 431 1.104 6.089 -10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 431 2.257 5.076 -10.076 1.00 0.00 H new ATOM 1034 N PHE A 432 0.704 0.990 -7.086 1.00 0.00 N ATOM 1035 CA PHE A 432 1.349 -0.272 -6.743 1.00 0.00 C ATOM 1036 C PHE A 432 0.416 -1.451 -7.002 1.00 0.00 C ATOM 1037 O PHE A 432 0.839 -2.490 -7.507 1.00 0.00 O ATOM 1038 CB PHE A 432 1.783 -0.262 -5.276 1.00 0.00 C ATOM 1039 CG PHE A 432 2.489 -1.517 -4.848 1.00 0.00 C ATOM 1040 CD1 PHE A 432 3.505 -2.054 -5.622 1.00 0.00 C ATOM 1041 CD2 PHE A 432 2.135 -2.161 -3.673 1.00 0.00 C ATOM 1042 CE1 PHE A 432 4.156 -3.209 -5.230 1.00 0.00 C ATOM 1043 CE2 PHE A 432 2.781 -3.316 -3.278 1.00 0.00 C ATOM 1044 CZ PHE A 432 3.793 -3.841 -4.058 1.00 0.00 C ATOM 0 H PHE A 432 0.644 1.656 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 432 2.229 -0.385 -7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 432 2.441 0.590 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 432 0.905 -0.117 -4.647 1.00 0.00 H new ATOM 0 HD1 PHE A 432 3.791 -1.565 -6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 432 1.345 -1.755 -3.059 1.00 0.00 H new ATOM 0 HE1 PHE A 432 4.948 -3.616 -5.841 1.00 0.00 H new ATOM 0 HE2 PHE A 432 2.495 -3.808 -2.360 1.00 0.00 H new ATOM 0 HZ PHE A 432 4.299 -4.744 -3.751 1.00 0.00 H new ATOM 1054 N LEU A 433 -0.855 -1.281 -6.652 1.00 0.00 N ATOM 1055 CA LEU A 433 -1.849 -2.330 -6.847 1.00 0.00 C ATOM 1056 C LEU A 433 -2.177 -2.504 -8.326 1.00 0.00 C ATOM 1057 O LEU A 433 -2.558 -3.591 -8.763 1.00 0.00 O ATOM 1058 CB LEU A 433 -3.122 -2.006 -6.063 1.00 0.00 C ATOM 1059 CG LEU A 433 -3.076 -2.364 -4.577 1.00 0.00 C ATOM 1060 CD1 LEU A 433 -3.975 -1.432 -3.777 1.00 0.00 C ATOM 1061 CD2 LEU A 433 -3.484 -3.814 -4.365 1.00 0.00 C ATOM 0 H LEU A 433 -1.221 -0.427 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 433 -1.430 -3.266 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 433 -3.327 -0.940 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 433 -3.958 -2.534 -6.523 1.00 0.00 H new ATOM 0 HG LEU A 433 -2.052 -2.241 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 433 -3.930 -1.701 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 433 -3.638 -0.403 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 433 -5.002 -1.524 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 433 -3.445 -4.051 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 433 -4.499 -3.964 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 433 -2.801 -4.467 -4.907 1.00 0.00 H new ATOM 1073 N GLN A 434 -2.030 -1.429 -9.094 1.00 0.00 N ATOM 1074 CA GLN A 434 -2.311 -1.465 -10.523 1.00 0.00 C ATOM 1075 C GLN A 434 -1.144 -2.069 -11.299 1.00 0.00 C ATOM 1076 O GLN A 434 -1.325 -2.603 -12.393 1.00 0.00 O ATOM 1077 CB GLN A 434 -2.607 -0.056 -11.042 1.00 0.00 C ATOM 1078 CG GLN A 434 -3.980 0.461 -10.647 1.00 0.00 C ATOM 1079 CD GLN A 434 -4.435 1.625 -11.507 1.00 0.00 C ATOM 1080 OE1 GLN A 434 -3.615 2.361 -12.058 1.00 0.00 O ATOM 1081 NE2 GLN A 434 -5.746 1.796 -11.627 1.00 0.00 N ATOM 0 H GLN A 434 -1.717 -0.521 -8.749 1.00 0.00 H new ATOM 0 HA GLN A 434 -3.187 -2.095 -10.676 1.00 0.00 H new ATOM 0 HB2 GLN A 434 -1.848 0.628 -10.664 1.00 0.00 H new ATOM 0 HB3 GLN A 434 -2.526 -0.054 -12.129 1.00 0.00 H new ATOM 0 HG2 GLN A 434 -4.705 -0.349 -10.725 1.00 0.00 H new ATOM 0 HG3 GLN A 434 -3.960 0.772 -9.602 1.00 0.00 H new ATOM 0 HE21 GLN A 434 -6.389 1.162 -11.153 1.00 0.00 H new ATOM 0 HE22 GLN A 434 -6.111 2.562 -12.194 1.00 0.00 H new ATOM 1090 N LEU A 435 0.053 -1.980 -10.726 1.00 0.00 N ATOM 1091 CA LEU A 435 1.250 -2.518 -11.367 1.00 0.00 C ATOM 1092 C LEU A 435 1.073 -3.997 -11.704 1.00 0.00 C ATOM 1093 O LEU A 435 0.292 -4.700 -11.065 1.00 0.00 O ATOM 1094 CB LEU A 435 2.466 -2.333 -10.456 1.00 0.00 C ATOM 1095 CG LEU A 435 3.028 -0.911 -10.408 1.00 0.00 C ATOM 1096 CD1 LEU A 435 4.019 -0.767 -9.263 1.00 0.00 C ATOM 1097 CD2 LEU A 435 3.683 -0.551 -11.731 1.00 0.00 C ATOM 0 H LEU A 435 0.220 -1.541 -9.821 1.00 0.00 H new ATOM 0 HA LEU A 435 1.411 -1.971 -12.296 1.00 0.00 H new ATOM 0 HB2 LEU A 435 2.192 -2.634 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 435 3.255 -3.008 -10.787 1.00 0.00 H new ATOM 0 HG LEU A 435 2.202 -0.221 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 435 4.408 0.251 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 435 3.518 -0.981 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 435 4.842 -1.468 -9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 435 4.077 0.464 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 435 4.498 -1.246 -11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 435 2.945 -0.612 -12.531 1.00 0.00 H new ATOM 1109 N PRO A 436 1.802 -4.489 -12.722 1.00 0.00 N ATOM 1110 CA PRO A 436 1.722 -5.891 -13.145 1.00 0.00 C ATOM 1111 C PRO A 436 1.925 -6.859 -11.984 1.00 0.00 C ATOM 1112 O PRO A 436 2.696 -6.587 -11.062 1.00 0.00 O ATOM 1113 CB PRO A 436 2.864 -6.023 -14.156 1.00 0.00 C ATOM 1114 CG PRO A 436 3.066 -4.645 -14.681 1.00 0.00 C ATOM 1115 CD PRO A 436 2.758 -3.718 -13.538 1.00 0.00 C ATOM 0 HA PRO A 436 0.742 -6.138 -13.554 1.00 0.00 H new ATOM 0 HB2 PRO A 436 3.769 -6.403 -13.683 1.00 0.00 H new ATOM 0 HB3 PRO A 436 2.606 -6.718 -14.956 1.00 0.00 H new ATOM 0 HG2 PRO A 436 4.089 -4.507 -15.031 1.00 0.00 H new ATOM 0 HG3 PRO A 436 2.410 -4.450 -15.529 1.00 0.00 H new ATOM 0 HD2 PRO A 436 3.655 -3.464 -12.973 1.00 0.00 H new ATOM 0 HD3 PRO A 436 2.325 -2.780 -13.886 1.00 0.00 H new ATOM 1123 N GLU A 437 1.228 -7.989 -12.034 1.00 0.00 N ATOM 1124 CA GLU A 437 1.331 -8.999 -10.987 1.00 0.00 C ATOM 1125 C GLU A 437 2.742 -9.576 -10.926 1.00 0.00 C ATOM 1126 O GLU A 437 3.243 -9.902 -9.850 1.00 0.00 O ATOM 1127 CB GLU A 437 0.319 -10.121 -11.229 1.00 0.00 C ATOM 1128 CG GLU A 437 0.258 -11.138 -10.102 1.00 0.00 C ATOM 1129 CD GLU A 437 -0.197 -12.505 -10.573 1.00 0.00 C ATOM 1130 OE1 GLU A 437 0.631 -13.240 -11.152 1.00 0.00 O ATOM 1131 OE2 GLU A 437 -1.381 -12.841 -10.364 1.00 0.00 O ATOM 0 H GLU A 437 0.585 -8.229 -12.789 1.00 0.00 H new ATOM 0 HA GLU A 437 1.111 -8.521 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 437 -0.670 -9.684 -11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 437 0.573 -10.634 -12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 437 1.243 -11.225 -9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 437 -0.423 -10.779 -9.330 1.00 0.00 H new ATOM 1138 N ALA A 438 3.377 -9.700 -12.086 1.00 0.00 N ATOM 1139 CA ALA A 438 4.730 -10.238 -12.164 1.00 0.00 C ATOM 1140 C ALA A 438 5.705 -9.393 -11.350 1.00 0.00 C ATOM 1141 O ALA A 438 6.615 -9.920 -10.712 1.00 0.00 O ATOM 1142 CB ALA A 438 5.182 -10.319 -13.615 1.00 0.00 C ATOM 0 H ALA A 438 2.976 -9.435 -12.986 1.00 0.00 H new ATOM 0 HA ALA A 438 4.721 -11.242 -11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 438 6.194 -10.722 -13.659 1.00 0.00 H new ATOM 0 HB2 ALA A 438 4.507 -10.970 -14.170 1.00 0.00 H new ATOM 0 HB3 ALA A 438 5.169 -9.322 -14.056 1.00 0.00 H new ATOM 1148 N GLU A 439 5.507 -8.078 -11.378 1.00 0.00 N ATOM 1149 CA GLU A 439 6.369 -7.161 -10.643 1.00 0.00 C ATOM 1150 C GLU A 439 6.059 -7.201 -9.150 1.00 0.00 C ATOM 1151 O GLU A 439 6.967 -7.195 -8.317 1.00 0.00 O ATOM 1152 CB GLU A 439 6.202 -5.734 -11.171 1.00 0.00 C ATOM 1153 CG GLU A 439 6.507 -5.595 -12.655 1.00 0.00 C ATOM 1154 CD GLU A 439 6.944 -4.192 -13.030 1.00 0.00 C ATOM 1155 OE1 GLU A 439 6.651 -3.253 -12.260 1.00 0.00 O ATOM 1156 OE2 GLU A 439 7.578 -4.033 -14.094 1.00 0.00 O ATOM 0 H GLU A 439 4.758 -7.625 -11.901 1.00 0.00 H new ATOM 0 HA GLU A 439 7.402 -7.477 -10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 439 5.180 -5.404 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 439 6.858 -5.069 -10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 439 7.291 -6.301 -12.929 1.00 0.00 H new ATOM 0 HG3 GLU A 439 5.621 -5.862 -13.231 1.00 0.00 H new ATOM 1163 N ARG A 440 4.775 -7.240 -8.818 1.00 0.00 N ATOM 1164 CA ARG A 440 4.343 -7.282 -7.424 1.00 0.00 C ATOM 1165 C ARG A 440 4.908 -8.510 -6.717 1.00 0.00 C ATOM 1166 O ARG A 440 5.323 -8.436 -5.561 1.00 0.00 O ATOM 1167 CB ARG A 440 2.816 -7.287 -7.340 1.00 0.00 C ATOM 1168 CG ARG A 440 2.205 -5.896 -7.285 1.00 0.00 C ATOM 1169 CD ARG A 440 1.065 -5.826 -6.284 1.00 0.00 C ATOM 1170 NE ARG A 440 0.018 -6.803 -6.575 1.00 0.00 N ATOM 1171 CZ ARG A 440 -0.908 -6.639 -7.516 1.00 0.00 C ATOM 1172 NH1 ARG A 440 -0.920 -5.538 -8.259 1.00 0.00 N ATOM 1173 NH2 ARG A 440 -1.823 -7.576 -7.717 1.00 0.00 N ATOM 0 H ARG A 440 4.012 -7.243 -9.495 1.00 0.00 H new ATOM 0 HA ARG A 440 4.723 -6.391 -6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 440 2.415 -7.817 -8.204 1.00 0.00 H new ATOM 0 HB3 ARG A 440 2.511 -7.844 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 440 2.973 -5.171 -7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 440 1.839 -5.619 -8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 440 1.453 -5.999 -5.280 1.00 0.00 H new ATOM 0 HD3 ARG A 440 0.637 -4.823 -6.292 1.00 0.00 H new ATOM 0 HE ARG A 440 -0.004 -7.661 -6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 440 -0.217 -4.814 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG A 440 -1.632 -5.417 -8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 440 -1.818 -8.424 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 440 -2.533 -7.449 -8.439 1.00 0.00 H new ATOM 1187 N ASP A 441 4.918 -9.638 -7.418 1.00 0.00 N ATOM 1188 CA ASP A 441 5.431 -10.882 -6.857 1.00 0.00 C ATOM 1189 C ASP A 441 6.922 -10.772 -6.553 1.00 0.00 C ATOM 1190 O ASP A 441 7.386 -11.219 -5.506 1.00 0.00 O ATOM 1191 CB ASP A 441 5.180 -12.043 -7.821 1.00 0.00 C ATOM 1192 CG ASP A 441 3.788 -12.624 -7.678 1.00 0.00 C ATOM 1193 OD1 ASP A 441 3.382 -12.918 -6.534 1.00 0.00 O ATOM 1194 OD2 ASP A 441 3.102 -12.788 -8.710 1.00 0.00 O ATOM 0 H ASP A 441 4.577 -9.717 -8.376 1.00 0.00 H new ATOM 0 HA ASP A 441 4.903 -11.073 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 441 5.323 -11.698 -8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 441 5.917 -12.826 -7.642 1.00 0.00 H new ATOM 1199 N ARG A 442 7.666 -10.170 -7.475 1.00 0.00 N ATOM 1200 CA ARG A 442 9.104 -10.001 -7.306 1.00 0.00 C ATOM 1201 C ARG A 442 9.409 -9.103 -6.111 1.00 0.00 C ATOM 1202 O ARG A 442 10.252 -9.430 -5.276 1.00 0.00 O ATOM 1203 CB ARG A 442 9.725 -9.411 -8.573 1.00 0.00 C ATOM 1204 CG ARG A 442 9.296 -10.122 -9.849 1.00 0.00 C ATOM 1205 CD ARG A 442 10.438 -10.917 -10.465 1.00 0.00 C ATOM 1206 NE ARG A 442 10.202 -12.357 -10.394 1.00 0.00 N ATOM 1207 CZ ARG A 442 10.439 -13.095 -9.311 1.00 0.00 C ATOM 1208 NH1 ARG A 442 10.920 -12.535 -8.208 1.00 0.00 N ATOM 1209 NH2 ARG A 442 10.195 -14.398 -9.333 1.00 0.00 N ATOM 0 H ARG A 442 7.297 -9.791 -8.347 1.00 0.00 H new ATOM 0 HA ARG A 442 9.539 -10.983 -7.122 1.00 0.00 H new ATOM 0 HB2 ARG A 442 9.453 -8.358 -8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 442 10.811 -9.455 -8.490 1.00 0.00 H new ATOM 0 HG2 ARG A 442 8.464 -10.791 -9.630 1.00 0.00 H new ATOM 0 HG3 ARG A 442 8.934 -9.389 -10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 442 10.565 -10.621 -11.506 1.00 0.00 H new ATOM 0 HD3 ARG A 442 11.367 -10.676 -9.949 1.00 0.00 H new ATOM 0 HE ARG A 442 9.834 -12.825 -11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 442 11.111 -11.533 -8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 442 11.099 -13.106 -7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 442 9.826 -14.834 -10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 442 10.376 -14.965 -8.505 1.00 0.00 H new ATOM 1223 N ILE A 443 8.717 -7.970 -6.035 1.00 0.00 N ATOM 1224 CA ILE A 443 8.915 -7.027 -4.941 1.00 0.00 C ATOM 1225 C ILE A 443 8.622 -7.683 -3.596 1.00 0.00 C ATOM 1226 O ILE A 443 9.262 -7.376 -2.591 1.00 0.00 O ATOM 1227 CB ILE A 443 8.023 -5.778 -5.104 1.00 0.00 C ATOM 1228 CG1 ILE A 443 8.266 -5.124 -6.465 1.00 0.00 C ATOM 1229 CG2 ILE A 443 8.286 -4.784 -3.982 1.00 0.00 C ATOM 1230 CD1 ILE A 443 7.121 -4.248 -6.927 1.00 0.00 C ATOM 0 H ILE A 443 8.015 -7.684 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 443 9.960 -6.718 -4.971 1.00 0.00 H new ATOM 0 HB ILE A 443 6.980 -6.089 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 443 9.174 -4.524 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 443 8.440 -5.903 -7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 443 7.648 -3.910 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 443 8.067 -5.252 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 443 9.332 -4.477 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 443 7.362 -3.817 -7.899 1.00 0.00 H new ATOM 0 HD12 ILE A 443 6.215 -4.848 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 443 6.961 -3.448 -6.205 1.00 0.00 H new ATOM 1242 N TYR A 444 7.649 -8.588 -3.584 1.00 0.00 N ATOM 1243 CA TYR A 444 7.272 -9.289 -2.362 1.00 0.00 C ATOM 1244 C TYR A 444 8.332 -10.318 -1.981 1.00 0.00 C ATOM 1245 O TYR A 444 8.701 -10.440 -0.813 1.00 0.00 O ATOM 1246 CB TYR A 444 5.917 -9.975 -2.538 1.00 0.00 C ATOM 1247 CG TYR A 444 4.747 -9.018 -2.525 1.00 0.00 C ATOM 1248 CD1 TYR A 444 4.671 -7.996 -1.584 1.00 0.00 C ATOM 1249 CD2 TYR A 444 3.717 -9.136 -3.448 1.00 0.00 C ATOM 1250 CE1 TYR A 444 3.602 -7.122 -1.567 1.00 0.00 C ATOM 1251 CE2 TYR A 444 2.645 -8.263 -3.438 1.00 0.00 C ATOM 1252 CZ TYR A 444 2.593 -7.257 -2.497 1.00 0.00 C ATOM 1253 OH TYR A 444 1.527 -6.388 -2.483 1.00 0.00 O ATOM 0 H TYR A 444 7.107 -8.853 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 444 7.195 -8.556 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 444 5.917 -10.523 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 444 5.785 -10.708 -1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 444 5.460 -7.884 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 444 3.754 -9.923 -4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 444 3.556 -6.336 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 444 1.852 -8.369 -4.164 1.00 0.00 H new ATOM 0 HH TYR A 444 1.815 -5.511 -2.813 1.00 0.00 H new ATOM 1263 N GLN A 445 8.819 -11.054 -2.975 1.00 0.00 N ATOM 1264 CA GLN A 445 9.838 -12.071 -2.744 1.00 0.00 C ATOM 1265 C GLN A 445 11.223 -11.551 -3.117 1.00 0.00 C ATOM 1266 O GLN A 445 12.123 -12.328 -3.437 1.00 0.00 O ATOM 1267 CB GLN A 445 9.522 -13.331 -3.549 1.00 0.00 C ATOM 1268 CG GLN A 445 8.280 -14.066 -3.069 1.00 0.00 C ATOM 1269 CD GLN A 445 7.995 -15.318 -3.873 1.00 0.00 C ATOM 1270 OE1 GLN A 445 8.907 -16.076 -4.209 1.00 0.00 O ATOM 1271 NE2 GLN A 445 6.725 -15.544 -4.189 1.00 0.00 N ATOM 0 H GLN A 445 8.524 -10.965 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 445 9.836 -12.315 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 445 9.391 -13.059 -4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 445 10.376 -14.007 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 445 8.404 -14.333 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 445 7.421 -13.397 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 445 6.001 -14.890 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 445 6.474 -16.371 -4.730 1.00 0.00 H new