USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 481 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 MET CE :methyl -175:sc= 0 (180deg=-0.0328) USER MOD Set 1.2: A 437 SER OG : rot 84:sc= -4.89! USER MOD Set 2.1: A 411 SER OG : rot 33:sc= 1.48 USER MOD Set 2.2: A 428 THR OG1 : rot -118:sc= -0.164 USER MOD Set 2.3: A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ -170:sc= 1.17 (180deg=0.847) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.531 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -0.076 X(o=-0.076,f=0.38) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.012) USER MOD Single : A 400 GLN : amide:sc= 0.826 K(o=0.83,f=-3.2!) USER MOD Single : A 401 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.3) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.58) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.29) USER MOD Single : A 427 THR OG1 : rot 116:sc= 1.26 USER MOD Single : A 434 ASN : amide:sc= -0.0154 X(o=-0.015,f=0.11) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 164:sc= -0.0252 (180deg=-0.231) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.145 -2.631 -2.239 1.00 0.00 N ATOM 2 CA LEU A 386 17.591 -1.992 -1.061 1.00 0.00 C ATOM 3 C LEU A 386 16.894 -0.706 -1.452 1.00 0.00 C ATOM 4 O LEU A 386 17.319 0.403 -1.119 1.00 0.00 O ATOM 5 CB LEU A 386 18.674 -1.710 -0.041 1.00 0.00 C ATOM 6 CG LEU A 386 19.509 -2.919 0.390 1.00 0.00 C ATOM 7 CD1 LEU A 386 20.598 -2.492 1.364 1.00 0.00 C ATOM 8 CD2 LEU A 386 18.626 -3.988 1.016 1.00 0.00 C ATOM 0 HA LEU A 386 16.866 -2.669 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.345 -0.955 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 386 18.210 -1.277 0.845 1.00 0.00 H new ATOM 0 HG LEU A 386 19.981 -3.342 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 386 21.183 -3.363 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 386 21.251 -1.763 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 386 20.142 -2.044 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 386 19.240 -4.838 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 386 18.123 -3.578 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 386 17.881 -4.316 0.290 1.00 0.00 H new ATOM 20 N ARG A 387 15.820 -0.891 -2.160 1.00 0.00 N ATOM 21 CA ARG A 387 15.083 0.189 -2.769 1.00 0.00 C ATOM 22 C ARG A 387 14.200 0.910 -1.782 1.00 0.00 C ATOM 23 O ARG A 387 13.955 0.440 -0.669 1.00 0.00 O ATOM 24 CB ARG A 387 14.241 -0.341 -3.917 1.00 0.00 C ATOM 25 CG ARG A 387 15.071 -0.882 -5.055 1.00 0.00 C ATOM 26 CD ARG A 387 14.626 -0.327 -6.395 1.00 0.00 C ATOM 27 NE ARG A 387 15.256 -1.033 -7.498 1.00 0.00 N ATOM 28 CZ ARG A 387 16.186 -0.503 -8.290 1.00 0.00 C ATOM 29 NH1 ARG A 387 16.617 0.733 -8.080 1.00 0.00 N ATOM 30 NH2 ARG A 387 16.698 -1.213 -9.286 1.00 0.00 N ATOM 0 H ARG A 387 15.419 -1.812 -2.337 1.00 0.00 H new ATOM 0 HA ARG A 387 15.813 0.908 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 387 13.585 -1.129 -3.546 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.600 0.458 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.119 -0.634 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.000 -1.970 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 387 13.542 -0.407 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 387 14.873 0.733 -6.451 1.00 0.00 H new ATOM 0 HE ARG A 387 14.968 -1.995 -7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 387 16.236 1.282 -7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 387 17.330 1.135 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.380 -2.168 -9.448 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.410 -0.804 -9.891 1.00 0.00 H new ATOM 44 N LYS A 388 13.731 2.059 -2.218 1.00 0.00 N ATOM 45 CA LYS A 388 12.889 2.910 -1.405 1.00 0.00 C ATOM 46 C LYS A 388 11.521 3.066 -2.057 1.00 0.00 C ATOM 47 O LYS A 388 11.310 3.967 -2.867 1.00 0.00 O ATOM 48 CB LYS A 388 13.532 4.282 -1.231 1.00 0.00 C ATOM 49 CG LYS A 388 15.022 4.254 -0.923 1.00 0.00 C ATOM 50 CD LYS A 388 15.344 3.415 0.305 1.00 0.00 C ATOM 51 CE LYS A 388 16.829 3.457 0.630 1.00 0.00 C ATOM 52 NZ LYS A 388 17.664 3.056 -0.533 1.00 0.00 N ATOM 0 H LYS A 388 13.923 2.430 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 388 12.771 2.447 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.374 4.860 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.019 4.809 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 388 15.561 3.856 -1.783 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.377 5.273 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 388 14.773 3.781 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 388 15.036 2.383 0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 388 17.103 4.464 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.035 2.794 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.650 2.934 -0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.309 2.160 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.618 3.794 -1.264 1.00 0.00 H new ATOM 66 N CYS A 389 10.608 2.177 -1.701 1.00 0.00 N ATOM 67 CA CYS A 389 9.263 2.171 -2.262 1.00 0.00 C ATOM 68 C CYS A 389 8.538 3.480 -1.987 1.00 0.00 C ATOM 69 O CYS A 389 8.356 3.871 -0.833 1.00 0.00 O ATOM 70 CB CYS A 389 8.456 1.020 -1.670 1.00 0.00 C ATOM 71 SG CYS A 389 9.340 -0.568 -1.648 1.00 0.00 S ATOM 0 H CYS A 389 10.776 1.440 -1.016 1.00 0.00 H new ATOM 0 HA CYS A 389 9.357 2.047 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.168 1.278 -0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.535 0.904 -2.242 1.00 0.00 H new ATOM 76 N TYR A 390 8.132 4.152 -3.051 1.00 0.00 N ATOM 77 CA TYR A 390 7.343 5.367 -2.933 1.00 0.00 C ATOM 78 C TYR A 390 5.860 5.017 -2.932 1.00 0.00 C ATOM 79 O TYR A 390 5.377 4.339 -3.839 1.00 0.00 O ATOM 80 CB TYR A 390 7.664 6.321 -4.086 1.00 0.00 C ATOM 81 CG TYR A 390 6.969 7.663 -3.990 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.461 8.661 -3.159 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.826 7.931 -4.732 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.834 9.888 -3.070 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.192 9.156 -4.649 1.00 0.00 C ATOM 86 CZ TYR A 390 5.699 10.132 -3.816 1.00 0.00 C ATOM 87 OH TYR A 390 5.073 11.355 -3.732 1.00 0.00 O ATOM 0 H TYR A 390 8.337 3.875 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 390 7.591 5.864 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.741 6.483 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.384 5.845 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.349 8.474 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.426 7.169 -5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.230 10.654 -2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.304 9.348 -5.233 1.00 0.00 H new ATOM 0 HH TYR A 390 4.290 11.363 -4.321 1.00 0.00 H new ATOM 97 N PHE A 391 5.148 5.455 -1.905 1.00 0.00 N ATOM 98 CA PHE A 391 3.727 5.154 -1.783 1.00 0.00 C ATOM 99 C PHE A 391 2.909 6.097 -2.662 1.00 0.00 C ATOM 100 O PHE A 391 2.967 7.320 -2.496 1.00 0.00 O ATOM 101 CB PHE A 391 3.287 5.268 -0.322 1.00 0.00 C ATOM 102 CG PHE A 391 1.998 4.560 -0.022 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.780 5.204 -0.169 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.008 3.246 0.415 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.403 4.551 0.114 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.830 2.589 0.701 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.377 3.242 0.552 1.00 0.00 C ATOM 0 H PHE A 391 5.528 6.019 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 391 3.555 4.132 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.071 4.862 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.180 6.322 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.756 6.229 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 391 2.949 2.730 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.346 5.063 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.852 1.564 1.041 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.300 2.729 0.778 1.00 0.00 H new ATOM 117 N PRO A 392 2.140 5.538 -3.612 1.00 0.00 N ATOM 118 CA PRO A 392 1.353 6.318 -4.573 1.00 0.00 C ATOM 119 C PRO A 392 0.003 6.758 -4.008 1.00 0.00 C ATOM 120 O PRO A 392 -0.330 6.473 -2.857 1.00 0.00 O ATOM 121 CB PRO A 392 1.145 5.315 -5.700 1.00 0.00 C ATOM 122 CG PRO A 392 1.000 4.022 -4.984 1.00 0.00 C ATOM 123 CD PRO A 392 1.971 4.085 -3.830 1.00 0.00 C ATOM 0 HA PRO A 392 1.849 7.244 -4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.259 5.550 -6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.991 5.301 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -0.021 3.883 -4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.227 3.183 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.577 3.588 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.917 3.601 -4.073 1.00 0.00 H new ATOM 131 N TYR A 393 -0.770 7.454 -4.828 1.00 0.00 N ATOM 132 CA TYR A 393 -2.078 7.929 -4.419 1.00 0.00 C ATOM 133 C TYR A 393 -3.161 6.940 -4.825 1.00 0.00 C ATOM 134 O TYR A 393 -3.314 6.603 -5.998 1.00 0.00 O ATOM 135 CB TYR A 393 -2.354 9.311 -5.026 1.00 0.00 C ATOM 136 CG TYR A 393 -3.686 9.914 -4.634 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.846 9.596 -5.327 1.00 0.00 C ATOM 138 CD2 TYR A 393 -3.781 10.801 -3.571 1.00 0.00 C ATOM 139 CE1 TYR A 393 -6.062 10.141 -4.971 1.00 0.00 C ATOM 140 CE2 TYR A 393 -4.995 11.353 -3.211 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.132 11.019 -3.913 1.00 0.00 C ATOM 142 OH TYR A 393 -7.344 11.559 -3.551 1.00 0.00 O ATOM 0 H TYR A 393 -0.511 7.702 -5.783 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.090 8.017 -3.333 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.558 9.992 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.311 9.232 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -4.795 8.910 -6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -2.892 11.064 -3.017 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.955 9.880 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -5.052 12.044 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.220 12.158 -2.785 1.00 0.00 H new ATOM 152 N LEU A 394 -3.891 6.480 -3.827 1.00 0.00 N ATOM 153 CA LEU A 394 -4.982 5.542 -4.010 1.00 0.00 C ATOM 154 C LEU A 394 -6.288 6.288 -4.257 1.00 0.00 C ATOM 155 O LEU A 394 -6.650 7.196 -3.510 1.00 0.00 O ATOM 156 CB LEU A 394 -5.100 4.677 -2.756 1.00 0.00 C ATOM 157 CG LEU A 394 -4.086 3.527 -2.618 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.724 3.873 -3.200 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.933 3.164 -1.158 1.00 0.00 C ATOM 0 H LEU A 394 -3.741 6.750 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.781 4.912 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.003 5.324 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.104 4.253 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.475 2.682 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.049 3.026 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.829 4.100 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.317 4.741 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.215 2.350 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -3.577 4.032 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -4.897 2.849 -0.759 1.00 0.00 H new ATOM 171 N GLU A 395 -6.979 5.894 -5.317 1.00 0.00 N ATOM 172 CA GLU A 395 -8.245 6.506 -5.697 1.00 0.00 C ATOM 173 C GLU A 395 -9.335 6.173 -4.688 1.00 0.00 C ATOM 174 O GLU A 395 -10.068 7.051 -4.235 1.00 0.00 O ATOM 175 CB GLU A 395 -8.673 5.999 -7.073 1.00 0.00 C ATOM 176 CG GLU A 395 -7.657 6.257 -8.166 1.00 0.00 C ATOM 177 CD GLU A 395 -7.575 7.715 -8.561 1.00 0.00 C ATOM 178 OE1 GLU A 395 -6.991 8.512 -7.800 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.099 8.071 -9.636 1.00 0.00 O ATOM 0 H GLU A 395 -6.679 5.142 -5.937 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.104 7.586 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.862 4.927 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.615 6.473 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -6.676 5.921 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -7.915 5.662 -9.042 1.00 0.00 H new ATOM 186 N ASN A 396 -9.427 4.897 -4.348 1.00 0.00 N ATOM 187 CA ASN A 396 -10.480 4.402 -3.472 1.00 0.00 C ATOM 188 C ASN A 396 -9.924 4.052 -2.097 1.00 0.00 C ATOM 189 O ASN A 396 -10.570 3.356 -1.309 1.00 0.00 O ATOM 190 CB ASN A 396 -11.143 3.168 -4.090 1.00 0.00 C ATOM 191 CG ASN A 396 -10.135 2.085 -4.428 1.00 0.00 C ATOM 192 OD1 ASN A 396 -9.796 1.253 -3.591 1.00 0.00 O ATOM 193 ND2 ASN A 396 -9.662 2.088 -5.667 1.00 0.00 N ATOM 0 H ASN A 396 -8.778 4.178 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.223 5.191 -3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.883 2.769 -3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.678 3.459 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -8.988 1.379 -5.957 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -9.972 2.799 -6.329 1.00 0.00 H new ATOM 200 N GLY A 397 -8.734 4.545 -1.802 1.00 0.00 N ATOM 201 CA GLY A 397 -8.104 4.230 -0.539 1.00 0.00 C ATOM 202 C GLY A 397 -7.561 5.454 0.157 1.00 0.00 C ATOM 203 O GLY A 397 -7.274 6.464 -0.486 1.00 0.00 O ATOM 0 H GLY A 397 -8.193 5.157 -2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.827 3.737 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.293 3.522 -0.708 1.00 0.00 H new ATOM 207 N TYR A 398 -7.427 5.372 1.473 1.00 0.00 N ATOM 208 CA TYR A 398 -6.884 6.466 2.249 1.00 0.00 C ATOM 209 C TYR A 398 -5.375 6.487 2.100 1.00 0.00 C ATOM 210 O TYR A 398 -4.672 5.593 2.572 1.00 0.00 O ATOM 211 CB TYR A 398 -7.282 6.336 3.722 1.00 0.00 C ATOM 212 CG TYR A 398 -8.772 6.453 3.963 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.379 7.695 4.098 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.573 5.320 4.053 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.739 7.806 4.318 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.933 5.421 4.271 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.510 6.665 4.404 1.00 0.00 C ATOM 218 OH TYR A 398 -12.866 6.771 4.618 1.00 0.00 O ATOM 0 H TYR A 398 -7.689 4.554 2.023 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.293 7.406 1.877 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.937 5.373 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.768 7.106 4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.778 8.590 4.030 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.123 4.343 3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.195 8.779 4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.540 4.530 4.337 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.263 5.876 4.652 1.00 0.00 H new ATOM 228 N ASN A 399 -4.885 7.510 1.425 1.00 0.00 N ATOM 229 CA ASN A 399 -3.463 7.635 1.134 1.00 0.00 C ATOM 230 C ASN A 399 -2.702 8.155 2.352 1.00 0.00 C ATOM 231 O ASN A 399 -2.060 9.207 2.314 1.00 0.00 O ATOM 232 CB ASN A 399 -3.250 8.542 -0.084 1.00 0.00 C ATOM 233 CG ASN A 399 -4.121 9.780 -0.053 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.717 10.829 0.445 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.328 9.658 -0.580 1.00 0.00 N ATOM 0 H ASN A 399 -5.455 8.275 1.064 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.067 6.647 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.203 8.841 -0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.460 7.978 -0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.966 10.454 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.621 8.768 -0.983 1.00 0.00 H new ATOM 242 N GLN A 400 -2.759 7.372 3.420 1.00 0.00 N ATOM 243 CA GLN A 400 -2.145 7.715 4.697 1.00 0.00 C ATOM 244 C GLN A 400 -0.626 7.753 4.587 1.00 0.00 C ATOM 245 O GLN A 400 0.056 8.339 5.430 1.00 0.00 O ATOM 246 CB GLN A 400 -2.545 6.673 5.741 1.00 0.00 C ATOM 247 CG GLN A 400 -4.043 6.435 5.825 1.00 0.00 C ATOM 248 CD GLN A 400 -4.387 5.226 6.666 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.470 4.109 6.160 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.589 5.439 7.954 1.00 0.00 N ATOM 0 H GLN A 400 -3.238 6.471 3.425 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.494 8.705 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.049 5.731 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.182 6.992 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.525 7.317 6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.444 6.302 4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -4.510 6.383 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -4.824 4.660 8.569 1.00 0.00 H new ATOM 259 N ASN A 401 -0.097 7.110 3.557 1.00 0.00 N ATOM 260 CA ASN A 401 1.347 6.990 3.400 1.00 0.00 C ATOM 261 C ASN A 401 1.823 7.668 2.122 1.00 0.00 C ATOM 262 O ASN A 401 3.012 7.641 1.809 1.00 0.00 O ATOM 263 CB ASN A 401 1.758 5.515 3.359 1.00 0.00 C ATOM 264 CG ASN A 401 1.220 4.694 4.513 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.894 3.527 4.341 1.00 0.00 O ATOM 266 ND2 ASN A 401 1.132 5.282 5.693 1.00 0.00 N ATOM 0 H ASN A 401 -0.642 6.664 2.819 1.00 0.00 H new ATOM 0 HA ASN A 401 1.810 7.482 4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.412 5.078 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.846 5.451 3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.783 4.761 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 401 1.413 6.257 5.799 1.00 0.00 H new ATOM 273 N TYR A 402 0.902 8.279 1.383 1.00 0.00 N ATOM 274 CA TYR A 402 1.243 8.868 0.091 1.00 0.00 C ATOM 275 C TYR A 402 2.248 9.997 0.247 1.00 0.00 C ATOM 276 O TYR A 402 2.029 10.943 1.006 1.00 0.00 O ATOM 277 CB TYR A 402 -0.006 9.367 -0.640 1.00 0.00 C ATOM 278 CG TYR A 402 0.301 10.264 -1.821 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.936 9.762 -2.948 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.039 11.610 -1.803 1.00 0.00 C ATOM 281 CE1 TYR A 402 1.228 10.576 -4.024 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.247 12.431 -2.877 1.00 0.00 C ATOM 283 CZ TYR A 402 0.883 11.909 -3.985 1.00 0.00 C ATOM 284 OH TYR A 402 1.179 12.724 -5.051 1.00 0.00 O ATOM 0 H TYR A 402 -0.077 8.379 1.652 1.00 0.00 H new ATOM 0 HA TYR A 402 1.701 8.083 -0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.581 8.509 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.636 9.910 0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 402 1.206 8.717 -2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.535 12.022 -0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.725 10.169 -4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 402 -0.026 13.476 -2.850 1.00 0.00 H new ATOM 0 HH TYR A 402 0.867 13.634 -4.863 1.00 0.00 H new ATOM 294 N GLY A 403 3.353 9.873 -0.470 1.00 0.00 N ATOM 295 CA GLY A 403 4.385 10.886 -0.433 1.00 0.00 C ATOM 296 C GLY A 403 5.589 10.414 0.345 1.00 0.00 C ATOM 297 O GLY A 403 6.645 11.052 0.340 1.00 0.00 O ATOM 0 H GLY A 403 3.554 9.082 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.684 11.141 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.989 11.795 0.021 1.00 0.00 H new ATOM 301 N ARG A 404 5.423 9.284 1.011 1.00 0.00 N ATOM 302 CA ARG A 404 6.470 8.716 1.840 1.00 0.00 C ATOM 303 C ARG A 404 7.179 7.588 1.111 1.00 0.00 C ATOM 304 O ARG A 404 6.599 6.936 0.237 1.00 0.00 O ATOM 305 CB ARG A 404 5.874 8.178 3.136 1.00 0.00 C ATOM 306 CG ARG A 404 5.130 9.224 3.945 1.00 0.00 C ATOM 307 CD ARG A 404 4.456 8.604 5.158 1.00 0.00 C ATOM 308 NE ARG A 404 3.608 9.560 5.870 1.00 0.00 N ATOM 309 CZ ARG A 404 3.267 9.441 7.156 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.736 8.437 7.881 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.473 10.340 7.724 1.00 0.00 N ATOM 0 H ARG A 404 4.562 8.737 0.992 1.00 0.00 H new ATOM 0 HA ARG A 404 7.191 9.502 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.192 7.361 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.674 7.760 3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.825 9.999 4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.382 9.708 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.853 7.753 4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.217 8.220 5.837 1.00 0.00 H new ATOM 0 HE ARG A 404 3.256 10.366 5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.360 7.750 7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.473 8.350 8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.120 11.126 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.215 10.245 8.706 1.00 0.00 H new ATOM 325 N LYS A 405 8.435 7.371 1.467 1.00 0.00 N ATOM 326 CA LYS A 405 9.190 6.250 0.959 1.00 0.00 C ATOM 327 C LYS A 405 9.572 5.325 2.102 1.00 0.00 C ATOM 328 O LYS A 405 9.687 5.756 3.250 1.00 0.00 O ATOM 329 CB LYS A 405 10.438 6.734 0.230 1.00 0.00 C ATOM 330 CG LYS A 405 10.143 7.392 -1.107 1.00 0.00 C ATOM 331 CD LYS A 405 11.412 7.668 -1.900 1.00 0.00 C ATOM 332 CE LYS A 405 12.377 8.562 -1.136 1.00 0.00 C ATOM 333 NZ LYS A 405 13.583 8.891 -1.940 1.00 0.00 N ATOM 0 H LYS A 405 8.953 7.967 2.113 1.00 0.00 H new ATOM 0 HA LYS A 405 8.570 5.701 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.968 7.443 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.106 5.888 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.484 6.748 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.609 8.328 -0.940 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.903 6.725 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.152 8.141 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 405 11.869 9.483 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 405 12.680 8.065 -0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 14.215 9.502 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 14.082 8.014 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.297 9.388 -2.808 1.00 0.00 H new ATOM 347 N PHE A 406 9.751 4.058 1.788 1.00 0.00 N ATOM 348 CA PHE A 406 10.083 3.060 2.792 1.00 0.00 C ATOM 349 C PHE A 406 11.205 2.169 2.285 1.00 0.00 C ATOM 350 O PHE A 406 11.349 1.969 1.078 1.00 0.00 O ATOM 351 CB PHE A 406 8.856 2.205 3.138 1.00 0.00 C ATOM 352 CG PHE A 406 7.723 2.980 3.755 1.00 0.00 C ATOM 353 CD1 PHE A 406 6.750 3.569 2.960 1.00 0.00 C ATOM 354 CD2 PHE A 406 7.631 3.117 5.131 1.00 0.00 C ATOM 355 CE1 PHE A 406 5.710 4.279 3.526 1.00 0.00 C ATOM 356 CE2 PHE A 406 6.591 3.827 5.702 1.00 0.00 C ATOM 357 CZ PHE A 406 5.629 4.409 4.900 1.00 0.00 C ATOM 0 H PHE A 406 9.672 3.691 0.840 1.00 0.00 H new ATOM 0 HA PHE A 406 10.410 3.576 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.498 1.718 2.231 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.159 1.415 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.807 3.471 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.380 2.664 5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.960 4.733 2.895 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.531 3.927 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.816 4.964 5.345 1.00 0.00 H new ATOM 367 N VAL A 407 12.010 1.657 3.204 1.00 0.00 N ATOM 368 CA VAL A 407 13.096 0.760 2.845 1.00 0.00 C ATOM 369 C VAL A 407 12.565 -0.652 2.619 1.00 0.00 C ATOM 370 O VAL A 407 11.620 -1.089 3.274 1.00 0.00 O ATOM 371 CB VAL A 407 14.207 0.750 3.918 1.00 0.00 C ATOM 372 CG1 VAL A 407 14.811 2.139 4.058 1.00 0.00 C ATOM 373 CG2 VAL A 407 13.683 0.256 5.260 1.00 0.00 C ATOM 0 H VAL A 407 11.931 1.848 4.203 1.00 0.00 H new ATOM 0 HA VAL A 407 13.535 1.128 1.918 1.00 0.00 H new ATOM 0 HB VAL A 407 14.983 0.057 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.593 2.121 4.817 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.238 2.448 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.035 2.845 4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 407 14.492 0.262 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 407 12.881 0.911 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.301 -0.759 5.150 1.00 0.00 H new ATOM 383 N GLN A 408 13.167 -1.350 1.668 1.00 0.00 N ATOM 384 CA GLN A 408 12.684 -2.659 1.248 1.00 0.00 C ATOM 385 C GLN A 408 12.732 -3.667 2.391 1.00 0.00 C ATOM 386 O GLN A 408 13.790 -3.923 2.966 1.00 0.00 O ATOM 387 CB GLN A 408 13.530 -3.183 0.093 1.00 0.00 C ATOM 388 CG GLN A 408 12.792 -4.148 -0.809 1.00 0.00 C ATOM 389 CD GLN A 408 13.652 -5.294 -1.254 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.731 -6.320 -0.585 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.296 -5.123 -2.384 1.00 0.00 N ATOM 0 H GLN A 408 13.997 -1.030 1.169 1.00 0.00 H new ATOM 0 HA GLN A 408 11.648 -2.539 0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.881 -2.339 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.413 -3.678 0.496 1.00 0.00 H new ATOM 0 HG2 GLN A 408 11.919 -4.536 -0.283 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.425 -3.613 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.195 -4.250 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.898 -5.863 -2.745 1.00 0.00 H new ATOM 400 N GLY A 409 11.596 -4.287 2.658 1.00 0.00 N ATOM 401 CA GLY A 409 11.476 -5.191 3.784 1.00 0.00 C ATOM 402 C GLY A 409 10.525 -4.647 4.821 1.00 0.00 C ATOM 403 O GLY A 409 10.261 -5.281 5.842 1.00 0.00 O ATOM 0 H GLY A 409 10.743 -4.180 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.124 -6.163 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.457 -5.349 4.233 1.00 0.00 H new ATOM 407 N LYS A 410 10.000 -3.468 4.538 1.00 0.00 N ATOM 408 CA LYS A 410 9.092 -2.788 5.435 1.00 0.00 C ATOM 409 C LYS A 410 7.655 -3.067 5.043 1.00 0.00 C ATOM 410 O LYS A 410 7.381 -3.483 3.920 1.00 0.00 O ATOM 411 CB LYS A 410 9.354 -1.287 5.389 1.00 0.00 C ATOM 412 CG LYS A 410 10.495 -0.831 6.280 1.00 0.00 C ATOM 413 CD LYS A 410 10.206 -1.097 7.749 1.00 0.00 C ATOM 414 CE LYS A 410 11.330 -0.583 8.636 1.00 0.00 C ATOM 415 NZ LYS A 410 11.073 -0.861 10.072 1.00 0.00 N ATOM 0 H LYS A 410 10.194 -2.957 3.677 1.00 0.00 H new ATOM 0 HA LYS A 410 9.257 -3.156 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.572 -0.998 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.445 -0.761 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.411 -1.347 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.669 0.235 6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.269 -0.616 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.075 -2.167 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.269 -1.049 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.446 0.491 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 11.862 -0.495 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 10.190 -0.395 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 10.987 -1.887 10.217 1.00 0.00 H new ATOM 429 N SER A 411 6.744 -2.834 5.964 1.00 0.00 N ATOM 430 CA SER A 411 5.337 -3.025 5.698 1.00 0.00 C ATOM 431 C SER A 411 4.540 -1.921 6.371 1.00 0.00 C ATOM 432 O SER A 411 5.051 -1.231 7.258 1.00 0.00 O ATOM 433 CB SER A 411 4.886 -4.402 6.183 1.00 0.00 C ATOM 434 OG SER A 411 3.561 -4.693 5.767 1.00 0.00 O ATOM 0 H SER A 411 6.956 -2.510 6.908 1.00 0.00 H new ATOM 0 HA SER A 411 5.162 -2.977 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.564 -5.164 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 411 4.944 -4.442 7.271 1.00 0.00 H new ATOM 0 HG SER A 411 3.393 -4.277 4.896 1.00 0.00 H new ATOM 440 N ILE A 412 3.301 -1.761 5.946 1.00 0.00 N ATOM 441 CA ILE A 412 2.450 -0.683 6.442 1.00 0.00 C ATOM 442 C ILE A 412 1.017 -0.879 5.977 1.00 0.00 C ATOM 443 O ILE A 412 0.746 -1.125 4.798 1.00 0.00 O ATOM 444 CB ILE A 412 2.976 0.712 6.014 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.131 1.828 6.638 1.00 0.00 C ATOM 446 CG2 ILE A 412 3.015 0.849 4.497 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.208 1.878 8.150 1.00 0.00 C ATOM 0 H ILE A 412 2.855 -2.364 5.255 1.00 0.00 H new ATOM 0 HA ILE A 412 2.475 -0.721 7.531 1.00 0.00 H new ATOM 0 HB ILE A 412 3.997 0.808 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.457 2.787 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.091 1.694 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.388 1.838 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.674 0.088 4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.011 0.720 4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.585 2.692 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.854 0.934 8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 412 3.241 2.044 8.456 1.00 0.00 H new ATOM 459 N ASP A 413 0.110 -0.787 6.929 1.00 0.00 N ATOM 460 CA ASP A 413 -1.282 -1.128 6.703 1.00 0.00 C ATOM 461 C ASP A 413 -2.021 0.049 6.089 1.00 0.00 C ATOM 462 O ASP A 413 -1.911 1.183 6.563 1.00 0.00 O ATOM 463 CB ASP A 413 -1.933 -1.528 8.021 1.00 0.00 C ATOM 464 CG ASP A 413 -3.335 -2.083 7.853 1.00 0.00 C ATOM 465 OD1 ASP A 413 -4.286 -1.291 7.710 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.494 -3.325 7.888 1.00 0.00 O ATOM 0 H ASP A 413 0.315 -0.475 7.878 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.333 -1.968 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.311 -2.275 8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.970 -0.659 8.679 1.00 0.00 H new ATOM 471 N VAL A 414 -2.774 -0.227 5.047 1.00 0.00 N ATOM 472 CA VAL A 414 -3.458 0.815 4.304 1.00 0.00 C ATOM 473 C VAL A 414 -4.964 0.693 4.471 1.00 0.00 C ATOM 474 O VAL A 414 -5.551 -0.339 4.140 1.00 0.00 O ATOM 475 CB VAL A 414 -3.124 0.748 2.799 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.702 1.951 2.070 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.624 0.648 2.575 1.00 0.00 C ATOM 0 H VAL A 414 -2.930 -1.170 4.691 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.115 1.769 4.705 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.582 -0.153 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.456 1.887 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.785 1.964 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.279 2.866 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.418 0.602 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.133 1.523 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.243 -0.253 3.057 1.00 0.00 H new ATOM 487 N ALA A 415 -5.584 1.733 4.991 1.00 0.00 N ATOM 488 CA ALA A 415 -7.029 1.761 5.112 1.00 0.00 C ATOM 489 C ALA A 415 -7.650 2.248 3.808 1.00 0.00 C ATOM 490 O ALA A 415 -7.327 3.328 3.323 1.00 0.00 O ATOM 491 CB ALA A 415 -7.451 2.649 6.271 1.00 0.00 C ATOM 0 H ALA A 415 -5.112 2.569 5.336 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.385 0.751 5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.538 2.657 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -7.026 2.264 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.091 3.664 6.102 1.00 0.00 H new ATOM 497 N CYS A 416 -8.521 1.442 3.229 1.00 0.00 N ATOM 498 CA CYS A 416 -9.185 1.806 1.990 1.00 0.00 C ATOM 499 C CYS A 416 -10.682 1.938 2.216 1.00 0.00 C ATOM 500 O CYS A 416 -11.166 1.653 3.311 1.00 0.00 O ATOM 501 CB CYS A 416 -8.855 0.778 0.902 1.00 0.00 C ATOM 502 SG CYS A 416 -7.137 0.914 0.308 1.00 0.00 S ATOM 0 H CYS A 416 -8.786 0.529 3.598 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.822 2.776 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.022 -0.226 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.537 0.911 0.063 1.00 0.00 H new ATOM 507 N HIS A 417 -11.409 2.404 1.206 1.00 0.00 N ATOM 508 CA HIS A 417 -12.853 2.588 1.343 1.00 0.00 C ATOM 509 C HIS A 417 -13.549 1.259 1.605 1.00 0.00 C ATOM 510 O HIS A 417 -13.016 0.188 1.304 1.00 0.00 O ATOM 511 CB HIS A 417 -13.470 3.245 0.102 1.00 0.00 C ATOM 512 CG HIS A 417 -13.340 4.741 0.055 1.00 0.00 C ATOM 513 ND1 HIS A 417 -14.422 5.575 -0.128 1.00 0.00 N ATOM 514 CD2 HIS A 417 -12.258 5.554 0.156 1.00 0.00 C ATOM 515 CE1 HIS A 417 -14.014 6.830 -0.140 1.00 0.00 C ATOM 516 NE2 HIS A 417 -12.708 6.846 0.032 1.00 0.00 N ATOM 0 H HIS A 417 -11.030 2.659 0.294 1.00 0.00 H new ATOM 0 HA HIS A 417 -13.002 3.252 2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.000 2.825 -0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.527 2.984 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.235 5.243 0.306 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -14.644 7.697 -0.269 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -12.125 7.682 0.067 1.00 0.00 H new ATOM 525 N PRO A 418 -14.750 1.334 2.184 1.00 0.00 N ATOM 526 CA PRO A 418 -15.585 0.167 2.468 1.00 0.00 C ATOM 527 C PRO A 418 -15.855 -0.655 1.220 1.00 0.00 C ATOM 528 O PRO A 418 -16.501 -0.187 0.279 1.00 0.00 O ATOM 529 CB PRO A 418 -16.886 0.779 2.990 1.00 0.00 C ATOM 530 CG PRO A 418 -16.486 2.107 3.516 1.00 0.00 C ATOM 531 CD PRO A 418 -15.400 2.581 2.601 1.00 0.00 C ATOM 0 HA PRO A 418 -15.109 -0.517 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.627 0.873 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.331 0.161 3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.328 2.799 3.519 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.130 2.033 4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.801 3.131 1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.705 3.247 3.112 1.00 0.00 H new ATOM 539 N GLY A 419 -15.338 -1.867 1.214 1.00 0.00 N ATOM 540 CA GLY A 419 -15.519 -2.748 0.084 1.00 0.00 C ATOM 541 C GLY A 419 -14.233 -2.967 -0.682 1.00 0.00 C ATOM 542 O GLY A 419 -14.191 -3.764 -1.614 1.00 0.00 O ATOM 0 H GLY A 419 -14.790 -2.262 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -15.901 -3.708 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.271 -2.329 -0.584 1.00 0.00 H new ATOM 546 N TYR A 420 -13.179 -2.264 -0.291 1.00 0.00 N ATOM 547 CA TYR A 420 -11.899 -2.382 -0.958 1.00 0.00 C ATOM 548 C TYR A 420 -10.849 -2.955 -0.021 1.00 0.00 C ATOM 549 O TYR A 420 -10.859 -2.694 1.183 1.00 0.00 O ATOM 550 CB TYR A 420 -11.453 -1.023 -1.486 1.00 0.00 C ATOM 551 CG TYR A 420 -12.351 -0.488 -2.578 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.295 -1.018 -3.858 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.258 0.534 -2.330 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.113 -0.546 -4.861 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.084 1.011 -3.331 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.005 0.467 -4.595 1.00 0.00 C ATOM 557 OH TYR A 420 -14.820 0.933 -5.599 1.00 0.00 O ATOM 0 H TYR A 420 -13.190 -1.605 0.488 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.014 -3.067 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.428 -0.310 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.435 -1.104 -1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -11.598 -1.815 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.319 0.963 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.054 -0.970 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.787 1.805 -3.124 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.393 1.647 -5.250 1.00 0.00 H new ATOM 567 N ALA A 421 -9.955 -3.744 -0.591 1.00 0.00 N ATOM 568 CA ALA A 421 -8.872 -4.367 0.150 1.00 0.00 C ATOM 569 C ALA A 421 -7.776 -4.780 -0.817 1.00 0.00 C ATOM 570 O ALA A 421 -8.017 -4.905 -2.018 1.00 0.00 O ATOM 571 CB ALA A 421 -9.383 -5.572 0.928 1.00 0.00 C ATOM 0 H ALA A 421 -9.960 -3.972 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.467 -3.652 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.559 -6.027 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.154 -5.252 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.803 -6.301 0.235 1.00 0.00 H new ATOM 577 N LEU A 422 -6.580 -4.983 -0.307 1.00 0.00 N ATOM 578 CA LEU A 422 -5.446 -5.344 -1.144 1.00 0.00 C ATOM 579 C LEU A 422 -5.559 -6.764 -1.663 1.00 0.00 C ATOM 580 O LEU A 422 -6.170 -7.628 -1.027 1.00 0.00 O ATOM 581 CB LEU A 422 -4.143 -5.198 -0.372 1.00 0.00 C ATOM 582 CG LEU A 422 -3.740 -3.761 -0.050 1.00 0.00 C ATOM 583 CD1 LEU A 422 -2.438 -3.739 0.721 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.614 -2.944 -1.322 1.00 0.00 C ATOM 0 H LEU A 422 -6.363 -4.905 0.687 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.449 -4.663 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.228 -5.753 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.343 -5.663 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.519 -3.316 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.164 -2.708 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -2.558 -4.291 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -1.653 -4.202 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.326 -1.923 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.854 -3.388 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.571 -2.934 -1.844 1.00 0.00 H new ATOM 596 N PRO A 423 -4.964 -7.007 -2.839 1.00 0.00 N ATOM 597 CA PRO A 423 -4.892 -8.336 -3.446 1.00 0.00 C ATOM 598 C PRO A 423 -4.309 -9.368 -2.488 1.00 0.00 C ATOM 599 O PRO A 423 -3.457 -9.047 -1.653 1.00 0.00 O ATOM 600 CB PRO A 423 -3.964 -8.128 -4.642 1.00 0.00 C ATOM 601 CG PRO A 423 -4.123 -6.694 -4.983 1.00 0.00 C ATOM 602 CD PRO A 423 -4.308 -5.989 -3.676 1.00 0.00 C ATOM 0 HA PRO A 423 -5.875 -8.720 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.930 -8.365 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.243 -8.769 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.247 -6.317 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.981 -6.539 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.356 -5.670 -3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.924 -5.096 -3.783 1.00 0.00 H new ATOM 610 N LYS A 424 -4.784 -10.597 -2.625 1.00 0.00 N ATOM 611 CA LYS A 424 -4.392 -11.713 -1.765 1.00 0.00 C ATOM 612 C LYS A 424 -4.957 -11.535 -0.359 1.00 0.00 C ATOM 613 O LYS A 424 -4.385 -12.025 0.617 1.00 0.00 O ATOM 614 CB LYS A 424 -2.868 -11.881 -1.715 1.00 0.00 C ATOM 615 CG LYS A 424 -2.240 -12.269 -3.047 1.00 0.00 C ATOM 616 CD LYS A 424 -0.732 -12.426 -2.922 1.00 0.00 C ATOM 617 CE LYS A 424 -0.113 -12.922 -4.219 1.00 0.00 C ATOM 618 NZ LYS A 424 1.356 -13.134 -4.093 1.00 0.00 N ATOM 0 H LYS A 424 -5.461 -10.854 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.811 -12.622 -2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.422 -10.947 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.621 -12.642 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.677 -13.203 -3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.468 -11.509 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.287 -11.469 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.504 -13.126 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.590 -13.857 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.308 -12.201 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 1.737 -13.472 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 1.816 -12.237 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 1.543 -13.842 -3.354 1.00 0.00 H new ATOM 632 N ALA A 425 -6.086 -10.824 -0.283 1.00 0.00 N ATOM 633 CA ALA A 425 -6.801 -10.597 0.971 1.00 0.00 C ATOM 634 C ALA A 425 -5.900 -9.949 2.015 1.00 0.00 C ATOM 635 O ALA A 425 -5.757 -10.450 3.135 1.00 0.00 O ATOM 636 CB ALA A 425 -7.387 -11.900 1.493 1.00 0.00 C ATOM 0 H ALA A 425 -6.529 -10.390 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.620 -9.906 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -7.916 -11.713 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.082 -12.307 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.584 -12.616 1.668 1.00 0.00 H new ATOM 642 N GLN A 426 -5.293 -8.835 1.642 1.00 0.00 N ATOM 643 CA GLN A 426 -4.391 -8.127 2.525 1.00 0.00 C ATOM 644 C GLN A 426 -4.901 -6.718 2.791 1.00 0.00 C ATOM 645 O GLN A 426 -5.738 -6.204 2.053 1.00 0.00 O ATOM 646 CB GLN A 426 -2.998 -8.070 1.905 1.00 0.00 C ATOM 647 CG GLN A 426 -2.335 -9.430 1.772 1.00 0.00 C ATOM 648 CD GLN A 426 -0.977 -9.360 1.104 1.00 0.00 C ATOM 649 OE1 GLN A 426 0.053 -9.220 1.764 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.966 -9.439 -0.214 1.00 0.00 N ATOM 0 H GLN A 426 -5.412 -8.402 0.726 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.340 -8.661 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.067 -7.611 0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.365 -7.424 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.225 -9.874 2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.984 -10.090 1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.841 -9.555 -0.725 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.083 -9.384 -0.721 1.00 0.00 H new ATOM 659 N THR A 427 -4.414 -6.112 3.858 1.00 0.00 N ATOM 660 CA THR A 427 -4.740 -4.732 4.159 1.00 0.00 C ATOM 661 C THR A 427 -3.471 -3.888 4.192 1.00 0.00 C ATOM 662 O THR A 427 -3.523 -2.665 4.108 1.00 0.00 O ATOM 663 CB THR A 427 -5.486 -4.606 5.504 1.00 0.00 C ATOM 664 OG1 THR A 427 -4.729 -5.228 6.547 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.868 -5.237 5.425 1.00 0.00 C ATOM 0 H THR A 427 -3.790 -6.556 4.532 1.00 0.00 H new ATOM 0 HA THR A 427 -5.400 -4.368 3.371 1.00 0.00 H new ATOM 0 HB THR A 427 -5.604 -3.545 5.726 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.454 -4.551 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.371 -5.134 6.387 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.453 -4.736 4.654 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.772 -6.294 5.178 1.00 0.00 H new ATOM 673 N THR A 428 -2.326 -4.551 4.305 1.00 0.00 N ATOM 674 CA THR A 428 -1.047 -3.863 4.324 1.00 0.00 C ATOM 675 C THR A 428 -0.154 -4.311 3.180 1.00 0.00 C ATOM 676 O THR A 428 -0.319 -5.393 2.611 1.00 0.00 O ATOM 677 CB THR A 428 -0.312 -4.052 5.664 1.00 0.00 C ATOM 678 OG1 THR A 428 1.079 -3.731 5.557 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.453 -5.460 6.146 1.00 0.00 C ATOM 0 H THR A 428 -2.260 -5.566 4.385 1.00 0.00 H new ATOM 0 HA THR A 428 -1.267 -2.803 4.200 1.00 0.00 H new ATOM 0 HB THR A 428 -0.771 -3.369 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 428 1.615 -4.527 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.073 -5.574 7.094 1.00 0.00 H new ATOM 0 HG22 THR A 428 -1.509 -5.693 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.026 -6.141 5.410 1.00 0.00 H new ATOM 687 N VAL A 429 0.812 -3.471 2.890 1.00 0.00 N ATOM 688 CA VAL A 429 1.709 -3.659 1.762 1.00 0.00 C ATOM 689 C VAL A 429 3.120 -3.844 2.270 1.00 0.00 C ATOM 690 O VAL A 429 3.490 -3.307 3.313 1.00 0.00 O ATOM 691 CB VAL A 429 1.704 -2.451 0.790 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.034 -2.892 -0.621 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.382 -1.706 0.820 1.00 0.00 C ATOM 0 H VAL A 429 1.003 -2.629 3.432 1.00 0.00 H new ATOM 0 HA VAL A 429 1.359 -4.537 1.220 1.00 0.00 H new ATOM 0 HB VAL A 429 2.477 -1.762 1.129 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.024 -2.027 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.023 -3.350 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.293 -3.616 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 429 0.421 -0.867 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.423 -2.381 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 429 0.197 -1.334 1.828 1.00 0.00 H new ATOM 703 N THR A 430 3.893 -4.616 1.545 1.00 0.00 N ATOM 704 CA THR A 430 5.283 -4.809 1.870 1.00 0.00 C ATOM 705 C THR A 430 6.159 -4.091 0.845 1.00 0.00 C ATOM 706 O THR A 430 6.031 -4.317 -0.357 1.00 0.00 O ATOM 707 CB THR A 430 5.620 -6.311 1.909 1.00 0.00 C ATOM 708 OG1 THR A 430 4.795 -6.968 2.883 1.00 0.00 O ATOM 709 CG2 THR A 430 7.088 -6.542 2.242 1.00 0.00 C ATOM 0 H THR A 430 3.578 -5.124 0.719 1.00 0.00 H new ATOM 0 HA THR A 430 5.478 -4.388 2.856 1.00 0.00 H new ATOM 0 HB THR A 430 5.427 -6.726 0.920 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.011 -7.924 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.293 -7.612 2.262 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.712 -6.067 1.485 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.312 -6.112 3.218 1.00 0.00 H new ATOM 717 N CYS A 431 7.009 -3.194 1.319 1.00 0.00 N ATOM 718 CA CYS A 431 7.943 -2.496 0.451 1.00 0.00 C ATOM 719 C CYS A 431 8.968 -3.461 -0.076 1.00 0.00 C ATOM 720 O CYS A 431 9.799 -3.950 0.688 1.00 0.00 O ATOM 721 CB CYS A 431 8.687 -1.391 1.200 1.00 0.00 C ATOM 722 SG CYS A 431 10.060 -0.670 0.245 1.00 0.00 S ATOM 0 H CYS A 431 7.071 -2.932 2.303 1.00 0.00 H new ATOM 0 HA CYS A 431 7.363 -2.056 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 431 7.982 -0.602 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.076 -1.794 2.135 1.00 0.00 H new ATOM 727 N MET A 432 8.927 -3.750 -1.364 1.00 0.00 N ATOM 728 CA MET A 432 9.957 -4.572 -1.946 1.00 0.00 C ATOM 729 C MET A 432 10.302 -4.158 -3.347 1.00 0.00 C ATOM 730 O MET A 432 9.437 -3.864 -4.171 1.00 0.00 O ATOM 731 CB MET A 432 9.632 -6.049 -1.880 1.00 0.00 C ATOM 732 CG MET A 432 9.862 -6.616 -0.504 1.00 0.00 C ATOM 733 SD MET A 432 10.708 -8.212 -0.514 1.00 0.00 S ATOM 734 CE MET A 432 9.538 -9.213 -1.429 1.00 0.00 C ATOM 0 H MET A 432 8.205 -3.433 -2.011 1.00 0.00 H new ATOM 0 HA MET A 432 10.842 -4.408 -1.332 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.592 -6.205 -2.167 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.246 -6.588 -2.602 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.449 -5.906 0.079 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.902 -6.726 0.000 1.00 0.00 H new ATOM 0 HE1 MET A 432 9.878 -10.249 -1.442 1.00 0.00 H new ATOM 0 HE2 MET A 432 8.560 -9.158 -0.951 1.00 0.00 H new ATOM 0 HE3 MET A 432 9.463 -8.842 -2.451 1.00 0.00 H new ATOM 744 N GLU A 433 11.604 -4.129 -3.563 1.00 0.00 N ATOM 745 CA GLU A 433 12.214 -3.728 -4.823 1.00 0.00 C ATOM 746 C GLU A 433 11.587 -2.434 -5.351 1.00 0.00 C ATOM 747 O GLU A 433 11.383 -2.276 -6.553 1.00 0.00 O ATOM 748 CB GLU A 433 12.091 -4.873 -5.824 1.00 0.00 C ATOM 749 CG GLU A 433 13.390 -5.248 -6.516 1.00 0.00 C ATOM 750 CD GLU A 433 13.729 -4.327 -7.665 1.00 0.00 C ATOM 751 OE1 GLU A 433 13.016 -4.369 -8.689 1.00 0.00 O ATOM 752 OE2 GLU A 433 14.708 -3.569 -7.555 1.00 0.00 O ATOM 0 H GLU A 433 12.286 -4.390 -2.851 1.00 0.00 H new ATOM 0 HA GLU A 433 13.272 -3.517 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 433 11.703 -5.751 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.357 -4.599 -6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.202 -5.229 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.317 -6.271 -6.886 1.00 0.00 H new ATOM 759 N ASN A 434 11.270 -1.526 -4.413 1.00 0.00 N ATOM 760 CA ASN A 434 10.677 -0.207 -4.710 1.00 0.00 C ATOM 761 C ASN A 434 9.209 -0.302 -5.142 1.00 0.00 C ATOM 762 O ASN A 434 8.438 0.637 -4.948 1.00 0.00 O ATOM 763 CB ASN A 434 11.496 0.535 -5.781 1.00 0.00 C ATOM 764 CG ASN A 434 10.843 1.819 -6.262 1.00 0.00 C ATOM 765 OD1 ASN A 434 10.992 2.875 -5.650 1.00 0.00 O ATOM 766 ND2 ASN A 434 10.155 1.746 -7.391 1.00 0.00 N ATOM 0 H ASN A 434 11.419 -1.687 -3.417 1.00 0.00 H new ATOM 0 HA ASN A 434 10.705 0.360 -3.780 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.481 0.767 -5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.649 -0.127 -6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 434 9.726 2.585 -7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 434 10.054 0.851 -7.870 1.00 0.00 H new ATOM 773 N GLY A 435 8.807 -1.441 -5.679 1.00 0.00 N ATOM 774 CA GLY A 435 7.514 -1.523 -6.316 1.00 0.00 C ATOM 775 C GLY A 435 6.491 -2.317 -5.542 1.00 0.00 C ATOM 776 O GLY A 435 5.769 -3.101 -6.144 1.00 0.00 O ATOM 0 H GLY A 435 9.349 -2.305 -5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.133 -0.513 -6.470 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.635 -1.972 -7.302 1.00 0.00 H new ATOM 780 N TRP A 436 6.436 -2.091 -4.220 1.00 0.00 N ATOM 781 CA TRP A 436 5.419 -2.648 -3.332 1.00 0.00 C ATOM 782 C TRP A 436 4.987 -4.066 -3.698 1.00 0.00 C ATOM 783 O TRP A 436 4.187 -4.269 -4.610 1.00 0.00 O ATOM 784 CB TRP A 436 4.229 -1.716 -3.320 1.00 0.00 C ATOM 785 CG TRP A 436 4.537 -0.360 -2.763 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.679 0.799 -3.466 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.745 -0.024 -1.388 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.957 1.836 -2.613 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.004 1.358 -1.332 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.735 -0.756 -0.199 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.251 2.020 -0.132 1.00 0.00 C ATOM 792 CZ3 TRP A 436 4.980 -0.099 0.991 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.235 1.277 1.016 1.00 0.00 C ATOM 0 H TRP A 436 7.114 -1.503 -3.735 1.00 0.00 H new ATOM 0 HA TRP A 436 5.861 -2.730 -2.339 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.854 -1.605 -4.337 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.430 -2.168 -2.733 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.586 0.888 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.105 2.807 -2.889 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.539 -1.818 -0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.448 3.082 -0.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 4.975 -0.656 1.916 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.423 1.762 1.962 1.00 0.00 H new ATOM 804 N SER A 437 5.452 -5.022 -2.909 1.00 0.00 N ATOM 805 CA SER A 437 5.348 -6.442 -3.230 1.00 0.00 C ATOM 806 C SER A 437 3.956 -6.849 -3.733 1.00 0.00 C ATOM 807 O SER A 437 3.834 -7.340 -4.857 1.00 0.00 O ATOM 808 CB SER A 437 5.762 -7.264 -2.007 1.00 0.00 C ATOM 809 OG SER A 437 7.118 -7.095 -1.733 1.00 0.00 O ATOM 0 H SER A 437 5.916 -4.836 -2.020 1.00 0.00 H new ATOM 0 HA SER A 437 6.026 -6.647 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.171 -6.961 -1.143 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.551 -8.319 -2.184 1.00 0.00 H new ATOM 0 HG SER A 437 7.245 -6.283 -1.199 1.00 0.00 H new ATOM 815 N PRO A 438 2.883 -6.658 -2.943 1.00 0.00 N ATOM 816 CA PRO A 438 1.540 -7.032 -3.373 1.00 0.00 C ATOM 817 C PRO A 438 0.797 -5.899 -4.092 1.00 0.00 C ATOM 818 O PRO A 438 -0.298 -6.092 -4.623 1.00 0.00 O ATOM 819 CB PRO A 438 0.902 -7.360 -2.044 1.00 0.00 C ATOM 820 CG PRO A 438 1.436 -6.319 -1.131 1.00 0.00 C ATOM 821 CD PRO A 438 2.867 -6.123 -1.559 1.00 0.00 C ATOM 0 HA PRO A 438 1.526 -7.839 -4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.186 -7.322 -2.102 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.169 -8.362 -1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 438 0.869 -5.392 -1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.375 -6.638 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.156 -5.072 -1.530 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.559 -6.662 -0.911 1.00 0.00 H new ATOM 829 N THR A 439 1.431 -4.729 -4.097 1.00 0.00 N ATOM 830 CA THR A 439 0.929 -3.531 -4.769 1.00 0.00 C ATOM 831 C THR A 439 -0.282 -2.913 -4.046 1.00 0.00 C ATOM 832 O THR A 439 -1.309 -3.562 -3.842 1.00 0.00 O ATOM 833 CB THR A 439 0.588 -3.825 -6.245 1.00 0.00 C ATOM 834 OG1 THR A 439 1.706 -4.473 -6.874 1.00 0.00 O ATOM 835 CG2 THR A 439 0.262 -2.544 -6.999 1.00 0.00 C ATOM 0 H THR A 439 2.324 -4.583 -3.626 1.00 0.00 H new ATOM 0 HA THR A 439 1.732 -2.795 -4.736 1.00 0.00 H new ATOM 0 HB THR A 439 -0.288 -4.474 -6.271 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.490 -4.662 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.026 -2.782 -8.036 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.595 -2.056 -6.534 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.121 -1.874 -6.967 1.00 0.00 H new ATOM 843 N PRO A 440 -0.157 -1.634 -3.642 1.00 0.00 N ATOM 844 CA PRO A 440 -1.218 -0.896 -2.960 1.00 0.00 C ATOM 845 C PRO A 440 -2.277 -0.402 -3.946 1.00 0.00 C ATOM 846 O PRO A 440 -2.099 0.628 -4.596 1.00 0.00 O ATOM 847 CB PRO A 440 -0.492 0.298 -2.315 1.00 0.00 C ATOM 848 CG PRO A 440 0.945 0.209 -2.734 1.00 0.00 C ATOM 849 CD PRO A 440 1.028 -0.800 -3.842 1.00 0.00 C ATOM 0 HA PRO A 440 -1.746 -1.517 -2.236 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.932 1.240 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.581 0.264 -1.229 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.307 1.180 -3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.572 -0.091 -1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.020 -0.321 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.945 -1.386 -3.782 1.00 0.00 H new ATOM 857 N ARG A 441 -3.368 -1.148 -4.065 1.00 0.00 N ATOM 858 CA ARG A 441 -4.420 -0.817 -5.025 1.00 0.00 C ATOM 859 C ARG A 441 -5.799 -0.845 -4.378 1.00 0.00 C ATOM 860 O ARG A 441 -6.594 0.069 -4.587 1.00 0.00 O ATOM 861 CB ARG A 441 -4.387 -1.791 -6.207 1.00 0.00 C ATOM 862 CG ARG A 441 -3.113 -1.702 -7.025 1.00 0.00 C ATOM 863 CD ARG A 441 -3.186 -2.553 -8.283 1.00 0.00 C ATOM 864 NE ARG A 441 -3.325 -3.982 -7.997 1.00 0.00 N ATOM 865 CZ ARG A 441 -4.139 -4.802 -8.659 1.00 0.00 C ATOM 866 NH1 ARG A 441 -5.044 -4.319 -9.503 1.00 0.00 N ATOM 867 NH2 ARG A 441 -4.065 -6.110 -8.437 1.00 0.00 N ATOM 0 H ARG A 441 -3.550 -1.985 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.231 0.196 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.500 -2.809 -5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.241 -1.593 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.930 -0.663 -7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.268 -2.025 -6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -4.031 -2.225 -8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.286 -2.392 -8.877 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.762 -4.375 -7.242 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -5.120 -3.312 -9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.663 -4.955 -10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -3.390 -6.476 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -4.683 -6.748 -8.938 1.00 0.00 H new ATOM 881 N CYS A 442 -6.074 -1.889 -3.598 1.00 0.00 N ATOM 882 CA CYS A 442 -7.383 -2.068 -2.966 1.00 0.00 C ATOM 883 C CYS A 442 -8.475 -2.281 -4.006 1.00 0.00 C ATOM 884 O CYS A 442 -9.071 -1.341 -4.529 1.00 0.00 O ATOM 885 CB CYS A 442 -7.721 -0.900 -2.039 1.00 0.00 C ATOM 886 SG CYS A 442 -6.739 -0.896 -0.506 1.00 0.00 S ATOM 0 H CYS A 442 -5.404 -2.629 -3.387 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.330 -2.968 -2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -7.557 0.037 -2.571 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.780 -0.941 -1.785 1.00 0.00 H new ATOM 891 N ILE A 443 -8.712 -3.545 -4.303 1.00 0.00 N ATOM 892 CA ILE A 443 -9.757 -3.943 -5.221 1.00 0.00 C ATOM 893 C ILE A 443 -10.979 -4.321 -4.408 1.00 0.00 C ATOM 894 O ILE A 443 -10.862 -4.618 -3.217 1.00 0.00 O ATOM 895 CB ILE A 443 -9.321 -5.155 -6.070 1.00 0.00 C ATOM 896 CG1 ILE A 443 -7.855 -5.020 -6.467 1.00 0.00 C ATOM 897 CG2 ILE A 443 -10.179 -5.273 -7.319 1.00 0.00 C ATOM 898 CD1 ILE A 443 -7.295 -6.241 -7.162 1.00 0.00 C ATOM 0 H ILE A 443 -8.183 -4.325 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.973 -3.116 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.450 -6.055 -5.469 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.744 -4.157 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -7.264 -4.819 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -9.855 -6.134 -7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -11.223 -5.401 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -10.076 -4.368 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -6.248 -6.069 -7.413 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.372 -7.104 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.860 -6.432 -8.074 1.00 0.00 H new ATOM 910 N ARG A 444 -12.136 -4.309 -5.036 1.00 0.00 N ATOM 911 CA ARG A 444 -13.365 -4.639 -4.344 1.00 0.00 C ATOM 912 C ARG A 444 -13.349 -6.084 -3.888 1.00 0.00 C ATOM 913 O ARG A 444 -13.180 -7.017 -4.678 1.00 0.00 O ATOM 914 CB ARG A 444 -14.589 -4.364 -5.220 1.00 0.00 C ATOM 915 CG ARG A 444 -15.884 -4.572 -4.461 1.00 0.00 C ATOM 916 CD ARG A 444 -17.119 -4.156 -5.248 1.00 0.00 C ATOM 917 NE ARG A 444 -18.344 -4.558 -4.552 1.00 0.00 N ATOM 918 CZ ARG A 444 -19.455 -3.827 -4.481 1.00 0.00 C ATOM 919 NH1 ARG A 444 -19.552 -2.685 -5.148 1.00 0.00 N ATOM 920 NH2 ARG A 444 -20.488 -4.266 -3.772 1.00 0.00 N ATOM 0 H ARG A 444 -12.252 -4.075 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.434 -3.998 -3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.547 -3.340 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.568 -5.021 -6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.973 -5.624 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.847 -4.005 -3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.116 -3.076 -5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.093 -4.610 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.346 -5.466 -4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.772 -2.361 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -20.406 -2.131 -5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.429 -5.160 -3.284 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.341 -3.709 -3.715 1.00 0.00 H new ATOM 934 N VAL A 445 -13.502 -6.222 -2.579 1.00 0.00 N ATOM 935 CA VAL A 445 -13.556 -7.502 -1.895 1.00 0.00 C ATOM 936 C VAL A 445 -14.527 -8.448 -2.588 1.00 0.00 C ATOM 937 O VAL A 445 -14.226 -9.626 -2.795 1.00 0.00 O ATOM 938 CB VAL A 445 -13.993 -7.282 -0.437 1.00 0.00 C ATOM 939 CG1 VAL A 445 -14.195 -8.601 0.289 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.979 -6.423 0.294 1.00 0.00 C ATOM 0 H VAL A 445 -13.594 -5.425 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.564 -7.954 -1.920 1.00 0.00 H new ATOM 0 HB VAL A 445 -14.951 -6.762 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.503 -8.407 1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.966 -9.181 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -13.261 -9.162 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.302 -6.276 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -12.008 -6.919 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.897 -5.456 -0.202 1.00 0.00 H new ATOM 950 N LYS A 446 -15.694 -7.926 -2.931 1.00 0.00 N ATOM 951 CA LYS A 446 -16.649 -8.649 -3.750 1.00 0.00 C ATOM 952 C LYS A 446 -17.669 -7.675 -4.314 1.00 0.00 C ATOM 953 O LYS A 446 -17.713 -7.497 -5.543 1.00 0.00 O ATOM 954 CB LYS A 446 -17.356 -9.749 -2.958 1.00 0.00 C ATOM 955 CG LYS A 446 -18.015 -10.780 -3.856 1.00 0.00 C ATOM 956 CD LYS A 446 -16.975 -11.500 -4.704 1.00 0.00 C ATOM 957 CE LYS A 446 -17.615 -12.335 -5.799 1.00 0.00 C ATOM 958 NZ LYS A 446 -18.282 -11.494 -6.828 1.00 0.00 N ATOM 959 OXT LYS A 446 -18.399 -7.053 -3.514 1.00 0.00 O ATOM 0 H LYS A 446 -16.003 -6.995 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 446 -16.105 -9.129 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -16.635 -10.245 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.110 -9.300 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -18.560 -11.503 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -18.745 -10.293 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -16.302 -10.768 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -16.368 -12.142 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -16.853 -12.953 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -18.345 -13.013 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -18.464 -12.065 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -19.183 -11.135 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -17.666 -10.693 -7.075 1.00 0.00 H new TER 973 LYS A 446