USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -140:sc= 0.269 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.32! C(o=-3!,f=-6.2!) USER MOD Single : A 1 LYS N :NH3+ -175:sc= 0 (180deg=-0.0542) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -2.22 K(o=-2.2,f=-2.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.939 (180deg=-1.39) USER MOD Single : A 30 ASN : amide:sc= -0.0474 X(o=-0.047,f=-0.18) USER MOD Single : A 33 ASN : amide:sc= -0.0768 K(o=-0.077,f=-2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 45 ASN : amide:sc= -0.0567 K(o=-0.057,f=-0.99) USER MOD Single : A 46 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.8) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.642 X(o=-0.64,f=-0.24) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc=-0.00574 X(o=-0.0057,f=-0.0057) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc=-0.00296 (180deg=-0.0539) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.639 -30.576 -15.835 1.00 52.23 N ATOM 2 CA LYS A 1 -16.020 -29.360 -15.121 1.00 31.55 C ATOM 3 C LYS A 1 -15.090 -28.230 -15.508 1.00 1.13 C ATOM 4 O LYS A 1 -13.886 -28.335 -15.297 1.00 63.32 O ATOM 5 CB LYS A 1 -15.923 -29.564 -13.599 1.00 73.41 C ATOM 6 CG LYS A 1 -16.806 -30.669 -13.029 1.00 34.43 C ATOM 7 CD LYS A 1 -16.626 -30.800 -11.515 1.00 13.12 C ATOM 8 CE LYS A 1 -17.046 -29.530 -10.780 1.00 62.45 C ATOM 9 NZ LYS A 1 -16.824 -29.617 -9.324 1.00 53.03 N ATOM 0 H1 LYS A 1 -16.329 -31.328 -15.633 1.00 52.23 H new ATOM 0 H2 LYS A 1 -15.622 -30.387 -16.858 1.00 52.23 H new ATOM 0 H3 LYS A 1 -14.695 -30.880 -15.523 1.00 52.23 H new ATOM 0 HA LYS A 1 -17.049 -29.120 -15.389 1.00 31.55 H new ATOM 0 HB2 LYS A 1 -14.886 -29.783 -13.344 1.00 73.41 H new ATOM 0 HB3 LYS A 1 -16.181 -28.626 -13.107 1.00 73.41 H new ATOM 0 HG2 LYS A 1 -17.851 -30.456 -13.256 1.00 34.43 H new ATOM 0 HG3 LYS A 1 -16.562 -31.616 -13.510 1.00 34.43 H new ATOM 0 HD2 LYS A 1 -17.215 -31.642 -11.151 1.00 13.12 H new ATOM 0 HD3 LYS A 1 -15.582 -31.021 -11.291 1.00 13.12 H new ATOM 0 HE2 LYS A 1 -16.488 -28.683 -11.179 1.00 62.45 H new ATOM 0 HE3 LYS A 1 -18.101 -29.336 -10.972 1.00 62.45 H new ATOM 0 HZ1 LYS A 1 -17.126 -28.730 -8.873 1.00 53.03 H new ATOM 0 HZ2 LYS A 1 -17.376 -30.408 -8.935 1.00 53.03 H new ATOM 0 HZ3 LYS A 1 -15.813 -29.775 -9.136 1.00 53.03 H new ATOM 23 N PRO A 2 -15.610 -27.134 -16.085 1.00 22.30 N ATOM 24 CA PRO A 2 -14.788 -25.975 -16.420 1.00 32.22 C ATOM 25 C PRO A 2 -14.272 -25.322 -15.145 1.00 42.22 C ATOM 26 O PRO A 2 -14.961 -25.328 -14.114 1.00 15.45 O ATOM 27 CB PRO A 2 -15.762 -25.025 -17.139 1.00 51.34 C ATOM 28 CG PRO A 2 -16.935 -25.871 -17.506 1.00 22.44 C ATOM 29 CD PRO A 2 -17.018 -26.934 -16.458 1.00 31.33 C ATOM 0 HA PRO A 2 -13.920 -26.231 -17.027 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -16.059 -24.201 -16.491 1.00 51.34 H new ATOM 0 HB3 PRO A 2 -15.302 -24.585 -18.024 1.00 51.34 H new ATOM 0 HG2 PRO A 2 -17.850 -25.279 -17.535 1.00 22.44 H new ATOM 0 HG3 PRO A 2 -16.807 -26.308 -18.496 1.00 22.44 H new ATOM 0 HD2 PRO A 2 -17.621 -26.617 -15.607 1.00 31.33 H new ATOM 0 HD3 PRO A 2 -17.468 -27.849 -16.844 1.00 31.33 H new ATOM 37 N VAL A 3 -13.076 -24.784 -15.186 1.00 33.35 N ATOM 38 CA VAL A 3 -12.524 -24.142 -14.015 1.00 55.21 C ATOM 39 C VAL A 3 -13.073 -22.729 -13.918 1.00 43.11 C ATOM 40 O VAL A 3 -12.560 -21.806 -14.545 1.00 55.15 O ATOM 41 CB VAL A 3 -10.968 -24.123 -14.019 1.00 55.45 C ATOM 42 CG1 VAL A 3 -10.420 -23.508 -12.731 1.00 71.25 C ATOM 43 CG2 VAL A 3 -10.411 -25.527 -14.222 1.00 15.00 C ATOM 0 H VAL A 3 -12.471 -24.777 -16.008 1.00 33.35 H new ATOM 0 HA VAL A 3 -12.823 -24.722 -13.142 1.00 55.21 H new ATOM 0 HB VAL A 3 -10.645 -23.500 -14.853 1.00 55.45 H new ATOM 0 HG11 VAL A 3 -9.330 -23.508 -12.763 1.00 71.25 H new ATOM 0 HG12 VAL A 3 -10.780 -22.484 -12.635 1.00 71.25 H new ATOM 0 HG13 VAL A 3 -10.758 -24.093 -11.876 1.00 71.25 H new ATOM 0 HG21 VAL A 3 -9.322 -25.490 -14.221 1.00 15.00 H new ATOM 0 HG22 VAL A 3 -10.752 -26.174 -13.414 1.00 15.00 H new ATOM 0 HG23 VAL A 3 -10.760 -25.922 -15.176 1.00 15.00 H new ATOM 53 N SER A 4 -14.147 -22.585 -13.192 1.00 62.34 N ATOM 54 CA SER A 4 -14.798 -21.320 -13.040 1.00 74.13 C ATOM 55 C SER A 4 -14.131 -20.504 -11.945 1.00 60.30 C ATOM 56 O SER A 4 -14.242 -20.820 -10.750 1.00 44.32 O ATOM 57 CB SER A 4 -16.268 -21.550 -12.735 1.00 71.25 C ATOM 58 OG SER A 4 -16.848 -22.367 -13.741 1.00 51.50 O ATOM 0 H SER A 4 -14.596 -23.349 -12.687 1.00 62.34 H new ATOM 0 HA SER A 4 -14.714 -20.753 -13.967 1.00 74.13 H new ATOM 0 HB2 SER A 4 -16.376 -22.026 -11.760 1.00 71.25 H new ATOM 0 HB3 SER A 4 -16.791 -20.595 -12.683 1.00 71.25 H new ATOM 0 HG SER A 4 -17.795 -22.513 -13.538 1.00 51.50 H new ATOM 64 N LEU A 5 -13.433 -19.478 -12.347 1.00 30.30 N ATOM 65 CA LEU A 5 -12.726 -18.642 -11.417 1.00 40.02 C ATOM 66 C LEU A 5 -13.630 -17.529 -10.931 1.00 4.22 C ATOM 67 O LEU A 5 -14.334 -16.897 -11.719 1.00 71.12 O ATOM 68 CB LEU A 5 -11.464 -18.060 -12.069 1.00 64.34 C ATOM 69 CG LEU A 5 -10.577 -17.173 -11.178 1.00 32.25 C ATOM 70 CD1 LEU A 5 -10.040 -17.957 -9.990 1.00 15.23 C ATOM 71 CD2 LEU A 5 -9.436 -16.574 -11.983 1.00 45.34 C ATOM 0 H LEU A 5 -13.338 -19.199 -13.323 1.00 30.30 H new ATOM 0 HA LEU A 5 -12.422 -19.247 -10.563 1.00 40.02 H new ATOM 0 HB2 LEU A 5 -10.858 -18.888 -12.437 1.00 64.34 H new ATOM 0 HB3 LEU A 5 -11.767 -17.476 -12.938 1.00 64.34 H new ATOM 0 HG LEU A 5 -11.193 -16.359 -10.795 1.00 32.25 H new ATOM 0 HD11 LEU A 5 -9.416 -17.307 -9.377 1.00 15.23 H new ATOM 0 HD12 LEU A 5 -10.873 -18.329 -9.393 1.00 15.23 H new ATOM 0 HD13 LEU A 5 -9.446 -18.798 -10.348 1.00 15.23 H new ATOM 0 HD21 LEU A 5 -8.821 -15.950 -11.334 1.00 45.34 H new ATOM 0 HD22 LEU A 5 -8.826 -17.375 -12.401 1.00 45.34 H new ATOM 0 HD23 LEU A 5 -9.841 -15.967 -12.792 1.00 45.34 H new ATOM 83 N SER A 6 -13.633 -17.321 -9.650 1.00 12.04 N ATOM 84 CA SER A 6 -14.394 -16.285 -9.046 1.00 70.43 C ATOM 85 C SER A 6 -13.546 -15.013 -8.953 1.00 53.50 C ATOM 86 O SER A 6 -12.326 -15.057 -9.200 1.00 20.03 O ATOM 87 CB SER A 6 -14.863 -16.772 -7.674 1.00 32.01 C ATOM 88 OG SER A 6 -13.779 -17.342 -6.939 1.00 62.52 O ATOM 0 H SER A 6 -13.095 -17.880 -8.988 1.00 12.04 H new ATOM 0 HA SER A 6 -15.272 -16.041 -9.643 1.00 70.43 H new ATOM 0 HB2 SER A 6 -15.290 -15.940 -7.114 1.00 32.01 H new ATOM 0 HB3 SER A 6 -15.654 -17.512 -7.797 1.00 32.01 H new ATOM 0 HG SER A 6 -14.101 -17.645 -6.064 1.00 62.52 H new ATOM 94 N TYR A 7 -14.162 -13.896 -8.628 1.00 52.13 N ATOM 95 CA TYR A 7 -13.429 -12.651 -8.524 1.00 52.32 C ATOM 96 C TYR A 7 -12.605 -12.619 -7.264 1.00 62.54 C ATOM 97 O TYR A 7 -13.090 -12.260 -6.191 1.00 14.12 O ATOM 98 CB TYR A 7 -14.349 -11.431 -8.625 1.00 63.10 C ATOM 99 CG TYR A 7 -15.066 -11.355 -9.944 1.00 22.14 C ATOM 100 CD1 TYR A 7 -14.385 -10.992 -11.089 1.00 73.22 C ATOM 101 CD2 TYR A 7 -16.415 -11.657 -10.051 1.00 20.31 C ATOM 102 CE1 TYR A 7 -15.019 -10.929 -12.301 1.00 43.25 C ATOM 103 CE2 TYR A 7 -17.063 -11.594 -11.266 1.00 52.35 C ATOM 104 CZ TYR A 7 -16.357 -11.232 -12.388 1.00 71.13 C ATOM 105 OH TYR A 7 -16.992 -11.172 -13.611 1.00 21.25 O ATOM 0 H TYR A 7 -15.160 -13.824 -8.433 1.00 52.13 H new ATOM 0 HA TYR A 7 -12.748 -12.600 -9.374 1.00 52.32 H new ATOM 0 HB2 TYR A 7 -15.082 -11.466 -7.819 1.00 63.10 H new ATOM 0 HB3 TYR A 7 -13.761 -10.524 -8.483 1.00 63.10 H new ATOM 0 HD1 TYR A 7 -13.333 -10.753 -11.028 1.00 73.22 H new ATOM 0 HD2 TYR A 7 -16.967 -11.946 -9.169 1.00 20.31 H new ATOM 0 HE1 TYR A 7 -14.470 -10.642 -13.186 1.00 43.25 H new ATOM 0 HE2 TYR A 7 -18.115 -11.827 -11.335 1.00 52.35 H new ATOM 0 HH TYR A 7 -17.935 -11.416 -13.502 1.00 21.25 H new ATOM 115 N ARG A 8 -11.386 -13.064 -7.390 1.00 2.45 N ATOM 116 CA ARG A 8 -10.479 -13.110 -6.284 1.00 34.42 C ATOM 117 C ARG A 8 -9.668 -11.828 -6.245 1.00 12.33 C ATOM 118 O ARG A 8 -9.690 -11.030 -7.204 1.00 21.32 O ATOM 119 CB ARG A 8 -9.548 -14.321 -6.395 1.00 63.33 C ATOM 120 CG ARG A 8 -8.585 -14.255 -7.567 1.00 73.34 C ATOM 121 CD ARG A 8 -7.686 -15.473 -7.618 1.00 50.51 C ATOM 122 NE ARG A 8 -7.011 -15.717 -6.334 1.00 15.04 N ATOM 123 CZ ARG A 8 -5.791 -15.292 -5.991 1.00 61.41 C ATOM 124 NH1 ARG A 8 -5.104 -14.472 -6.790 1.00 61.33 N ATOM 125 NH2 ARG A 8 -5.269 -15.677 -4.834 1.00 50.44 N ATOM 0 H ARG A 8 -10.995 -13.406 -8.268 1.00 2.45 H new ATOM 0 HA ARG A 8 -11.051 -13.207 -5.361 1.00 34.42 H new ATOM 0 HB2 ARG A 8 -8.975 -14.412 -5.472 1.00 63.33 H new ATOM 0 HB3 ARG A 8 -10.152 -15.224 -6.485 1.00 63.33 H new ATOM 0 HG2 ARG A 8 -9.148 -14.178 -8.497 1.00 73.34 H new ATOM 0 HG3 ARG A 8 -7.975 -13.355 -7.488 1.00 73.34 H new ATOM 0 HD2 ARG A 8 -8.277 -16.348 -7.888 1.00 50.51 H new ATOM 0 HD3 ARG A 8 -6.939 -15.339 -8.400 1.00 50.51 H new ATOM 0 HE ARG A 8 -7.522 -16.262 -5.640 1.00 15.04 H new ATOM 0 HH11 ARG A 8 -5.509 -14.163 -7.673 1.00 61.33 H new ATOM 0 HH12 ARG A 8 -4.174 -14.155 -6.517 1.00 61.33 H new ATOM 0 HH21 ARG A 8 -5.798 -16.292 -4.215 1.00 50.44 H new ATOM 0 HH22 ARG A 8 -4.339 -15.358 -4.563 1.00 50.44 H new ATOM 139 N CYS A 9 -8.949 -11.631 -5.190 1.00 25.42 N ATOM 140 CA CYS A 9 -8.179 -10.437 -5.040 1.00 71.13 C ATOM 141 C CYS A 9 -6.690 -10.760 -5.083 1.00 71.50 C ATOM 142 O CYS A 9 -6.264 -11.773 -4.524 1.00 62.23 O ATOM 143 CB CYS A 9 -8.561 -9.776 -3.725 1.00 14.23 C ATOM 144 SG CYS A 9 -10.364 -9.506 -3.576 1.00 22.02 S ATOM 0 H CYS A 9 -8.877 -12.287 -4.412 1.00 25.42 H new ATOM 0 HA CYS A 9 -8.388 -9.750 -5.860 1.00 71.13 H new ATOM 0 HB2 CYS A 9 -8.220 -10.397 -2.897 1.00 14.23 H new ATOM 0 HB3 CYS A 9 -8.045 -8.820 -3.639 1.00 14.23 H new ATOM 149 N PRO A 10 -5.882 -9.916 -5.792 1.00 65.21 N ATOM 150 CA PRO A 10 -4.412 -10.076 -5.888 1.00 11.01 C ATOM 151 C PRO A 10 -3.752 -10.246 -4.517 1.00 64.04 C ATOM 152 O PRO A 10 -2.813 -11.040 -4.348 1.00 14.23 O ATOM 153 CB PRO A 10 -3.967 -8.762 -6.534 1.00 35.13 C ATOM 154 CG PRO A 10 -5.127 -8.361 -7.366 1.00 3.21 C ATOM 155 CD PRO A 10 -6.348 -8.761 -6.590 1.00 72.03 C ATOM 0 HA PRO A 10 -4.131 -10.967 -6.449 1.00 11.01 H new ATOM 0 HB2 PRO A 10 -3.734 -8.007 -5.783 1.00 35.13 H new ATOM 0 HB3 PRO A 10 -3.070 -8.898 -7.138 1.00 35.13 H new ATOM 0 HG2 PRO A 10 -5.119 -7.288 -7.556 1.00 3.21 H new ATOM 0 HG3 PRO A 10 -5.101 -8.856 -8.337 1.00 3.21 H new ATOM 0 HD2 PRO A 10 -6.704 -7.950 -5.954 1.00 72.03 H new ATOM 0 HD3 PRO A 10 -7.172 -9.034 -7.249 1.00 72.03 H new ATOM 163 N CYS A 11 -4.234 -9.515 -3.548 1.00 65.41 N ATOM 164 CA CYS A 11 -3.744 -9.643 -2.215 1.00 34.04 C ATOM 165 C CYS A 11 -4.856 -9.947 -1.267 1.00 73.34 C ATOM 166 O CYS A 11 -5.692 -9.097 -0.975 1.00 33.32 O ATOM 167 CB CYS A 11 -2.951 -8.419 -1.762 1.00 25.22 C ATOM 168 SG CYS A 11 -1.368 -8.189 -2.629 1.00 52.12 S ATOM 0 H CYS A 11 -4.972 -8.821 -3.666 1.00 65.41 H new ATOM 0 HA CYS A 11 -3.049 -10.482 -2.211 1.00 34.04 H new ATOM 0 HB2 CYS A 11 -3.564 -7.529 -1.907 1.00 25.22 H new ATOM 0 HB3 CYS A 11 -2.757 -8.502 -0.693 1.00 25.22 H new ATOM 173 N ARG A 12 -4.909 -11.178 -0.834 1.00 54.24 N ATOM 174 CA ARG A 12 -5.875 -11.579 0.154 1.00 12.01 C ATOM 175 C ARG A 12 -5.282 -11.347 1.522 1.00 54.22 C ATOM 176 O ARG A 12 -5.967 -10.939 2.453 1.00 74.14 O ATOM 177 CB ARG A 12 -6.250 -13.048 -0.008 1.00 51.11 C ATOM 178 CG ARG A 12 -6.855 -13.397 -1.356 1.00 61.03 C ATOM 179 CD ARG A 12 -7.257 -14.860 -1.406 1.00 15.33 C ATOM 180 NE ARG A 12 -6.110 -15.758 -1.223 1.00 22.41 N ATOM 181 CZ ARG A 12 -6.173 -17.024 -0.778 1.00 34.05 C ATOM 182 NH1 ARG A 12 -7.332 -17.552 -0.364 1.00 24.30 N ATOM 183 NH2 ARG A 12 -5.066 -17.749 -0.725 1.00 15.45 N ATOM 0 H ARG A 12 -4.291 -11.925 -1.152 1.00 54.24 H new ATOM 0 HA ARG A 12 -6.783 -10.990 0.028 1.00 12.01 H new ATOM 0 HB2 ARG A 12 -5.359 -13.657 0.145 1.00 51.11 H new ATOM 0 HB3 ARG A 12 -6.958 -13.318 0.775 1.00 51.11 H new ATOM 0 HG2 ARG A 12 -7.727 -12.769 -1.541 1.00 61.03 H new ATOM 0 HG3 ARG A 12 -6.136 -13.186 -2.148 1.00 61.03 H new ATOM 0 HD2 ARG A 12 -7.998 -15.058 -0.632 1.00 15.33 H new ATOM 0 HD3 ARG A 12 -7.733 -15.072 -2.364 1.00 15.33 H new ATOM 0 HE ARG A 12 -5.187 -15.389 -1.453 1.00 22.41 H new ATOM 0 HH11 ARG A 12 -8.184 -16.991 -0.384 1.00 24.30 H new ATOM 0 HH12 ARG A 12 -7.363 -18.515 -0.029 1.00 24.30 H new ATOM 0 HH21 ARG A 12 -4.177 -17.345 -1.020 1.00 15.45 H new ATOM 0 HH22 ARG A 12 -5.102 -18.711 -0.389 1.00 15.45 H new ATOM 197 N PHE A 13 -3.996 -11.611 1.629 1.00 35.33 N ATOM 198 CA PHE A 13 -3.281 -11.420 2.861 1.00 22.41 C ATOM 199 C PHE A 13 -2.396 -10.194 2.749 1.00 32.11 C ATOM 200 O PHE A 13 -1.776 -9.958 1.704 1.00 54.00 O ATOM 201 CB PHE A 13 -2.433 -12.651 3.181 1.00 1.31 C ATOM 202 CG PHE A 13 -3.227 -13.921 3.252 1.00 73.12 C ATOM 203 CD1 PHE A 13 -3.821 -14.320 4.433 1.00 23.14 C ATOM 204 CD2 PHE A 13 -3.377 -14.713 2.128 1.00 42.21 C ATOM 205 CE1 PHE A 13 -4.554 -15.485 4.491 1.00 34.04 C ATOM 206 CE2 PHE A 13 -4.107 -15.875 2.177 1.00 75.23 C ATOM 207 CZ PHE A 13 -4.699 -16.267 3.361 1.00 51.24 C ATOM 0 H PHE A 13 -3.423 -11.963 0.862 1.00 35.33 H new ATOM 0 HA PHE A 13 -3.998 -11.275 3.669 1.00 22.41 H new ATOM 0 HB2 PHE A 13 -1.659 -12.757 2.421 1.00 1.31 H new ATOM 0 HB3 PHE A 13 -1.925 -12.495 4.133 1.00 1.31 H new ATOM 0 HD1 PHE A 13 -3.710 -13.713 5.319 1.00 23.14 H new ATOM 0 HD2 PHE A 13 -2.914 -14.414 1.199 1.00 42.21 H new ATOM 0 HE1 PHE A 13 -5.015 -15.787 5.420 1.00 34.04 H new ATOM 0 HE2 PHE A 13 -4.218 -16.482 1.290 1.00 75.23 H new ATOM 0 HZ PHE A 13 -5.273 -17.181 3.404 1.00 51.24 H new ATOM 217 N PHE A 14 -2.350 -9.427 3.797 1.00 53.11 N ATOM 218 CA PHE A 14 -1.564 -8.214 3.859 1.00 22.42 C ATOM 219 C PHE A 14 -0.767 -8.251 5.140 1.00 24.53 C ATOM 220 O PHE A 14 -1.231 -8.801 6.147 1.00 14.32 O ATOM 221 CB PHE A 14 -2.483 -6.982 3.920 1.00 61.51 C ATOM 222 CG PHE A 14 -3.490 -6.829 2.808 1.00 54.11 C ATOM 223 CD1 PHE A 14 -4.719 -7.464 2.881 1.00 2.25 C ATOM 224 CD2 PHE A 14 -3.221 -6.042 1.708 1.00 0.43 C ATOM 225 CE1 PHE A 14 -5.651 -7.317 1.880 1.00 13.51 C ATOM 226 CE2 PHE A 14 -4.149 -5.887 0.705 1.00 2.20 C ATOM 227 CZ PHE A 14 -5.366 -6.526 0.790 1.00 2.34 C ATOM 0 H PHE A 14 -2.866 -9.624 4.655 1.00 53.11 H new ATOM 0 HA PHE A 14 -0.926 -8.149 2.978 1.00 22.42 H new ATOM 0 HB2 PHE A 14 -3.023 -7.008 4.866 1.00 61.51 H new ATOM 0 HB3 PHE A 14 -1.856 -6.091 3.935 1.00 61.51 H new ATOM 0 HD1 PHE A 14 -4.949 -8.083 3.736 1.00 2.25 H new ATOM 0 HD2 PHE A 14 -2.268 -5.540 1.633 1.00 0.43 H new ATOM 0 HE1 PHE A 14 -6.604 -7.821 1.949 1.00 13.51 H new ATOM 0 HE2 PHE A 14 -3.924 -5.265 -0.148 1.00 2.20 H new ATOM 0 HZ PHE A 14 -6.096 -6.407 0.003 1.00 2.34 H new ATOM 237 N GLU A 15 0.405 -7.690 5.126 1.00 34.52 N ATOM 238 CA GLU A 15 1.194 -7.616 6.285 1.00 0.21 C ATOM 239 C GLU A 15 0.674 -6.409 7.058 1.00 22.42 C ATOM 240 O GLU A 15 0.665 -5.296 6.539 1.00 25.11 O ATOM 241 CB GLU A 15 2.641 -7.410 5.863 1.00 53.25 C ATOM 242 CG GLU A 15 3.642 -7.498 6.974 1.00 32.42 C ATOM 243 CD GLU A 15 3.729 -8.888 7.581 1.00 73.33 C ATOM 244 OE1 GLU A 15 2.888 -9.227 8.449 1.00 42.43 O ATOM 245 OE2 GLU A 15 4.647 -9.668 7.202 1.00 24.43 O ATOM 0 H GLU A 15 0.829 -7.273 4.297 1.00 34.52 H new ATOM 0 HA GLU A 15 1.144 -8.516 6.898 1.00 0.21 H new ATOM 0 HB2 GLU A 15 2.893 -8.154 5.107 1.00 53.25 H new ATOM 0 HB3 GLU A 15 2.730 -6.432 5.390 1.00 53.25 H new ATOM 0 HG2 GLU A 15 4.623 -7.210 6.596 1.00 32.42 H new ATOM 0 HG3 GLU A 15 3.377 -6.783 7.753 1.00 32.42 H new ATOM 252 N SER A 16 0.230 -6.627 8.261 1.00 73.15 N ATOM 253 CA SER A 16 -0.391 -5.569 9.028 1.00 31.14 C ATOM 254 C SER A 16 0.591 -4.943 10.020 1.00 12.53 C ATOM 255 O SER A 16 0.221 -4.105 10.842 1.00 31.44 O ATOM 256 CB SER A 16 -1.626 -6.111 9.722 1.00 64.45 C ATOM 257 OG SER A 16 -2.516 -6.697 8.764 1.00 63.44 O ATOM 0 H SER A 16 0.283 -7.526 8.739 1.00 73.15 H new ATOM 0 HA SER A 16 -0.693 -4.770 8.351 1.00 31.14 H new ATOM 0 HB2 SER A 16 -1.338 -6.856 10.464 1.00 64.45 H new ATOM 0 HB3 SER A 16 -2.133 -5.308 10.257 1.00 64.45 H new ATOM 0 HG SER A 16 -3.308 -7.045 9.224 1.00 63.44 H new ATOM 263 N HIS A 17 1.831 -5.354 9.937 1.00 54.32 N ATOM 264 CA HIS A 17 2.878 -4.772 10.742 1.00 65.01 C ATOM 265 C HIS A 17 3.963 -4.275 9.825 1.00 3.44 C ATOM 266 O HIS A 17 4.873 -5.023 9.456 1.00 4.31 O ATOM 267 CB HIS A 17 3.437 -5.774 11.785 1.00 51.31 C ATOM 268 CG HIS A 17 4.548 -5.218 12.663 1.00 13.40 C ATOM 269 ND1 HIS A 17 4.320 -4.595 13.866 1.00 41.24 N ATOM 270 CD2 HIS A 17 5.897 -5.202 12.494 1.00 64.32 C ATOM 271 CE1 HIS A 17 5.465 -4.218 14.394 1.00 21.23 C ATOM 272 NE2 HIS A 17 6.435 -4.573 13.582 1.00 10.50 N ATOM 0 H HIS A 17 2.144 -6.098 9.313 1.00 54.32 H new ATOM 0 HA HIS A 17 2.466 -3.940 11.314 1.00 65.01 H new ATOM 0 HB2 HIS A 17 2.619 -6.108 12.424 1.00 51.31 H new ATOM 0 HB3 HIS A 17 3.811 -6.653 11.261 1.00 51.31 H new ATOM 0 HD2 HIS A 17 6.442 -5.610 11.656 1.00 64.32 H new ATOM 0 HE1 HIS A 17 5.587 -3.704 15.336 1.00 21.23 H new ATOM 0 HE2 HIS A 17 7.429 -4.406 13.738 1.00 10.50 H new ATOM 281 N VAL A 18 3.839 -3.046 9.396 1.00 64.43 N ATOM 282 CA VAL A 18 4.812 -2.473 8.500 1.00 75.24 C ATOM 283 C VAL A 18 5.167 -1.071 8.978 1.00 40.12 C ATOM 284 O VAL A 18 4.328 -0.382 9.545 1.00 31.55 O ATOM 285 CB VAL A 18 4.315 -2.408 7.024 1.00 2.15 C ATOM 286 CG1 VAL A 18 5.451 -2.009 6.106 1.00 54.25 C ATOM 287 CG2 VAL A 18 3.710 -3.727 6.563 1.00 73.31 C ATOM 0 H VAL A 18 3.074 -2.422 9.652 1.00 64.43 H new ATOM 0 HA VAL A 18 5.687 -3.123 8.513 1.00 75.24 H new ATOM 0 HB VAL A 18 3.529 -1.654 6.980 1.00 2.15 H new ATOM 0 HG11 VAL A 18 5.091 -1.967 5.078 1.00 54.25 H new ATOM 0 HG12 VAL A 18 5.828 -1.029 6.398 1.00 54.25 H new ATOM 0 HG13 VAL A 18 6.253 -2.743 6.180 1.00 54.25 H new ATOM 0 HG21 VAL A 18 3.378 -3.633 5.529 1.00 73.31 H new ATOM 0 HG22 VAL A 18 4.459 -4.515 6.633 1.00 73.31 H new ATOM 0 HG23 VAL A 18 2.859 -3.978 7.196 1.00 73.31 H new ATOM 297 N ALA A 19 6.389 -0.679 8.762 1.00 50.12 N ATOM 298 CA ALA A 19 6.895 0.604 9.182 1.00 43.44 C ATOM 299 C ALA A 19 7.229 1.475 7.959 1.00 33.33 C ATOM 300 O ALA A 19 7.721 0.972 6.952 1.00 22.32 O ATOM 301 CB ALA A 19 8.107 0.406 10.067 1.00 63.30 C ATOM 0 H ALA A 19 7.080 -1.252 8.278 1.00 50.12 H new ATOM 0 HA ALA A 19 6.130 1.125 9.758 1.00 43.44 H new ATOM 0 HB1 ALA A 19 8.489 1.377 10.384 1.00 63.30 H new ATOM 0 HB2 ALA A 19 7.826 -0.177 10.944 1.00 63.30 H new ATOM 0 HB3 ALA A 19 8.881 -0.124 9.511 1.00 63.30 H new ATOM 307 N ARG A 20 6.913 2.752 8.037 1.00 53.35 N ATOM 308 CA ARG A 20 7.176 3.720 6.951 1.00 75.41 C ATOM 309 C ARG A 20 8.661 3.741 6.519 1.00 24.54 C ATOM 310 O ARG A 20 8.959 3.774 5.329 1.00 63.04 O ATOM 311 CB ARG A 20 6.717 5.122 7.405 1.00 50.31 C ATOM 312 CG ARG A 20 7.038 6.297 6.469 1.00 22.53 C ATOM 313 CD ARG A 20 6.449 6.139 5.075 1.00 74.04 C ATOM 314 NE ARG A 20 6.604 7.365 4.274 1.00 13.31 N ATOM 315 CZ ARG A 20 6.670 7.418 2.931 1.00 51.32 C ATOM 316 NH1 ARG A 20 6.746 6.300 2.208 1.00 35.34 N ATOM 317 NH2 ARG A 20 6.697 8.591 2.323 1.00 31.03 N ATOM 0 H ARG A 20 6.463 3.166 8.854 1.00 53.35 H new ATOM 0 HA ARG A 20 6.609 3.407 6.074 1.00 75.41 H new ATOM 0 HB2 ARG A 20 5.638 5.093 7.555 1.00 50.31 H new ATOM 0 HB3 ARG A 20 7.168 5.329 8.375 1.00 50.31 H new ATOM 0 HG2 ARG A 20 6.660 7.218 6.912 1.00 22.53 H new ATOM 0 HG3 ARG A 20 8.120 6.402 6.388 1.00 22.53 H new ATOM 0 HD2 ARG A 20 6.937 5.308 4.566 1.00 74.04 H new ATOM 0 HD3 ARG A 20 5.391 5.887 5.154 1.00 74.04 H new ATOM 0 HE ARG A 20 6.667 8.249 4.780 1.00 13.31 H new ATOM 0 HH11 ARG A 20 6.755 5.392 2.672 1.00 35.34 H new ATOM 0 HH12 ARG A 20 6.796 6.353 1.191 1.00 35.34 H new ATOM 0 HH21 ARG A 20 6.668 9.451 2.871 1.00 31.03 H new ATOM 0 HH22 ARG A 20 6.747 8.637 1.305 1.00 31.03 H new ATOM 331 N ALA A 21 9.566 3.684 7.477 1.00 44.40 N ATOM 332 CA ALA A 21 11.010 3.712 7.194 1.00 53.21 C ATOM 333 C ALA A 21 11.522 2.323 6.811 1.00 63.31 C ATOM 334 O ALA A 21 12.670 2.146 6.417 1.00 23.51 O ATOM 335 CB ALA A 21 11.774 4.253 8.393 1.00 65.42 C ATOM 0 H ALA A 21 9.336 3.617 8.469 1.00 44.40 H new ATOM 0 HA ALA A 21 11.177 4.376 6.346 1.00 53.21 H new ATOM 0 HB1 ALA A 21 12.841 4.268 8.168 1.00 65.42 H new ATOM 0 HB2 ALA A 21 11.436 5.265 8.613 1.00 65.42 H new ATOM 0 HB3 ALA A 21 11.594 3.614 9.258 1.00 65.42 H new ATOM 341 N ASN A 22 10.655 1.363 6.949 1.00 61.10 N ATOM 342 CA ASN A 22 10.938 -0.041 6.683 1.00 32.42 C ATOM 343 C ASN A 22 10.751 -0.367 5.201 1.00 5.05 C ATOM 344 O ASN A 22 11.428 -1.243 4.657 1.00 44.22 O ATOM 345 CB ASN A 22 10.005 -0.868 7.586 1.00 35.33 C ATOM 346 CG ASN A 22 9.961 -2.367 7.401 1.00 40.30 C ATOM 347 OD1 ASN A 22 8.918 -2.994 7.655 1.00 12.44 O ATOM 348 ND2 ASN A 22 11.018 -2.953 6.989 1.00 43.43 N ATOM 0 H ASN A 22 9.697 1.528 7.259 1.00 61.10 H new ATOM 0 HA ASN A 22 11.977 -0.281 6.908 1.00 32.42 H new ATOM 0 HB2 ASN A 22 10.285 -0.670 8.621 1.00 35.33 H new ATOM 0 HB3 ASN A 22 8.992 -0.488 7.452 1.00 35.33 H new ATOM 0 HD21 ASN A 22 11.023 -3.965 6.859 1.00 43.43 H new ATOM 0 HD22 ASN A 22 11.858 -2.409 6.789 1.00 43.43 H new ATOM 355 N VAL A 23 9.871 0.358 4.553 1.00 21.34 N ATOM 356 CA VAL A 23 9.573 0.119 3.151 1.00 33.32 C ATOM 357 C VAL A 23 10.477 0.936 2.229 1.00 1.14 C ATOM 358 O VAL A 23 10.678 2.135 2.438 1.00 73.14 O ATOM 359 CB VAL A 23 8.091 0.421 2.830 1.00 74.44 C ATOM 360 CG1 VAL A 23 7.797 0.222 1.365 1.00 2.40 C ATOM 361 CG2 VAL A 23 7.187 -0.451 3.659 1.00 1.22 C ATOM 0 H VAL A 23 9.343 1.124 4.972 1.00 21.34 H new ATOM 0 HA VAL A 23 9.764 -0.939 2.969 1.00 33.32 H new ATOM 0 HB VAL A 23 7.903 1.466 3.076 1.00 74.44 H new ATOM 0 HG11 VAL A 23 6.747 0.442 1.171 1.00 2.40 H new ATOM 0 HG12 VAL A 23 8.423 0.891 0.774 1.00 2.40 H new ATOM 0 HG13 VAL A 23 8.008 -0.811 1.089 1.00 2.40 H new ATOM 0 HG21 VAL A 23 6.147 -0.227 3.422 1.00 1.22 H new ATOM 0 HG22 VAL A 23 7.391 -1.499 3.440 1.00 1.22 H new ATOM 0 HG23 VAL A 23 7.367 -0.260 4.717 1.00 1.22 H new ATOM 371 N LYS A 24 11.010 0.273 1.210 1.00 32.01 N ATOM 372 CA LYS A 24 11.859 0.914 0.217 1.00 44.02 C ATOM 373 C LYS A 24 11.026 1.463 -0.918 1.00 52.22 C ATOM 374 O LYS A 24 11.383 2.454 -1.550 1.00 40.44 O ATOM 375 CB LYS A 24 12.846 -0.093 -0.396 1.00 1.42 C ATOM 376 CG LYS A 24 12.169 -1.254 -1.124 1.00 14.10 C ATOM 377 CD LYS A 24 13.085 -1.978 -2.080 1.00 75.11 C ATOM 378 CE LYS A 24 13.571 -1.040 -3.170 1.00 61.51 C ATOM 379 NZ LYS A 24 14.392 -1.740 -4.180 1.00 73.22 N ATOM 0 H LYS A 24 10.865 -0.724 1.050 1.00 32.01 H new ATOM 0 HA LYS A 24 12.397 1.713 0.727 1.00 44.02 H new ATOM 0 HB2 LYS A 24 13.498 0.431 -1.095 1.00 1.42 H new ATOM 0 HB3 LYS A 24 13.481 -0.493 0.395 1.00 1.42 H new ATOM 0 HG2 LYS A 24 11.790 -1.963 -0.388 1.00 14.10 H new ATOM 0 HG3 LYS A 24 11.308 -0.875 -1.674 1.00 14.10 H new ATOM 0 HD2 LYS A 24 13.938 -2.385 -1.537 1.00 75.11 H new ATOM 0 HD3 LYS A 24 12.559 -2.822 -2.527 1.00 75.11 H new ATOM 0 HE2 LYS A 24 12.713 -0.577 -3.658 1.00 61.51 H new ATOM 0 HE3 LYS A 24 14.155 -0.236 -2.722 1.00 61.51 H new ATOM 0 HZ1 LYS A 24 14.703 -1.062 -4.905 1.00 73.22 H new ATOM 0 HZ2 LYS A 24 15.224 -2.161 -3.720 1.00 73.22 H new ATOM 0 HZ3 LYS A 24 13.827 -2.490 -4.627 1.00 73.22 H new ATOM 393 N HIS A 25 9.925 0.807 -1.182 1.00 53.21 N ATOM 394 CA HIS A 25 9.153 1.092 -2.355 1.00 55.21 C ATOM 395 C HIS A 25 7.727 0.589 -2.226 1.00 72.43 C ATOM 396 O HIS A 25 7.501 -0.587 -1.943 1.00 43.52 O ATOM 397 CB HIS A 25 9.868 0.441 -3.546 1.00 64.23 C ATOM 398 CG HIS A 25 9.159 0.486 -4.853 1.00 54.23 C ATOM 399 ND1 HIS A 25 8.456 1.577 -5.329 1.00 75.30 N ATOM 400 CD2 HIS A 25 9.039 -0.467 -5.774 1.00 53.14 C ATOM 401 CE1 HIS A 25 7.933 1.277 -6.496 1.00 63.11 C ATOM 402 NE2 HIS A 25 8.272 0.038 -6.794 1.00 4.34 N ATOM 0 H HIS A 25 9.544 0.067 -0.593 1.00 53.21 H new ATOM 0 HA HIS A 25 9.079 2.170 -2.499 1.00 55.21 H new ATOM 0 HB2 HIS A 25 10.837 0.924 -3.667 1.00 64.23 H new ATOM 0 HB3 HIS A 25 10.061 -0.603 -3.299 1.00 64.23 H new ATOM 0 HD2 HIS A 25 9.467 -1.457 -5.727 1.00 53.14 H new ATOM 0 HE1 HIS A 25 7.329 1.932 -7.106 1.00 63.11 H new ATOM 0 HE2 HIS A 25 8.008 -0.463 -7.643 1.00 4.34 H new ATOM 411 N LEU A 26 6.796 1.485 -2.439 1.00 4.41 N ATOM 412 CA LEU A 26 5.377 1.194 -2.408 1.00 12.12 C ATOM 413 C LEU A 26 4.836 1.198 -3.831 1.00 32.34 C ATOM 414 O LEU A 26 5.097 2.125 -4.590 1.00 61.20 O ATOM 415 CB LEU A 26 4.652 2.275 -1.594 1.00 24.51 C ATOM 416 CG LEU A 26 4.987 2.356 -0.099 1.00 21.43 C ATOM 417 CD1 LEU A 26 4.384 3.594 0.517 1.00 60.24 C ATOM 418 CD2 LEU A 26 4.447 1.147 0.614 1.00 23.51 C ATOM 0 H LEU A 26 7.005 2.462 -2.644 1.00 4.41 H new ATOM 0 HA LEU A 26 5.214 0.218 -1.950 1.00 12.12 H new ATOM 0 HB2 LEU A 26 4.871 3.243 -2.044 1.00 24.51 H new ATOM 0 HB3 LEU A 26 3.579 2.113 -1.693 1.00 24.51 H new ATOM 0 HG LEU A 26 6.071 2.396 0.003 1.00 21.43 H new ATOM 0 HD11 LEU A 26 4.634 3.631 1.577 1.00 60.24 H new ATOM 0 HD12 LEU A 26 4.781 4.479 0.019 1.00 60.24 H new ATOM 0 HD13 LEU A 26 3.301 3.568 0.400 1.00 60.24 H new ATOM 0 HD21 LEU A 26 4.689 1.212 1.675 1.00 23.51 H new ATOM 0 HD22 LEU A 26 3.365 1.105 0.491 1.00 23.51 H new ATOM 0 HD23 LEU A 26 4.895 0.247 0.194 1.00 23.51 H new ATOM 430 N LYS A 27 4.123 0.165 -4.188 1.00 51.10 N ATOM 431 CA LYS A 27 3.512 0.057 -5.492 1.00 53.31 C ATOM 432 C LYS A 27 2.093 -0.432 -5.258 1.00 34.21 C ATOM 433 O LYS A 27 1.875 -1.598 -4.952 1.00 3.42 O ATOM 434 CB LYS A 27 4.315 -0.958 -6.345 1.00 11.24 C ATOM 435 CG LYS A 27 4.101 -0.898 -7.869 1.00 42.05 C ATOM 436 CD LYS A 27 2.717 -1.344 -8.330 1.00 44.22 C ATOM 437 CE LYS A 27 2.458 -2.806 -8.008 1.00 4.13 C ATOM 438 NZ LYS A 27 1.148 -3.257 -8.531 1.00 52.30 N ATOM 0 H LYS A 27 3.946 -0.634 -3.580 1.00 51.10 H new ATOM 0 HA LYS A 27 3.505 1.007 -6.026 1.00 53.31 H new ATOM 0 HB2 LYS A 27 5.376 -0.809 -6.144 1.00 11.24 H new ATOM 0 HB3 LYS A 27 4.064 -1.963 -6.005 1.00 11.24 H new ATOM 0 HG2 LYS A 27 4.271 0.124 -8.207 1.00 42.05 H new ATOM 0 HG3 LYS A 27 4.851 -1.523 -8.354 1.00 42.05 H new ATOM 0 HD2 LYS A 27 1.958 -0.726 -7.850 1.00 44.22 H new ATOM 0 HD3 LYS A 27 2.624 -1.187 -9.405 1.00 44.22 H new ATOM 0 HE2 LYS A 27 3.251 -3.419 -8.435 1.00 4.13 H new ATOM 0 HE3 LYS A 27 2.489 -2.952 -6.928 1.00 4.13 H new ATOM 0 HZ1 LYS A 27 0.889 -4.161 -8.087 1.00 52.30 H new ATOM 0 HZ2 LYS A 27 0.423 -2.544 -8.313 1.00 52.30 H new ATOM 0 HZ3 LYS A 27 1.210 -3.383 -9.561 1.00 52.30 H new ATOM 452 N ILE A 28 1.143 0.441 -5.362 1.00 45.24 N ATOM 453 CA ILE A 28 -0.214 0.078 -5.025 1.00 20.53 C ATOM 454 C ILE A 28 -1.018 -0.368 -6.256 1.00 54.22 C ATOM 455 O ILE A 28 -1.092 0.335 -7.262 1.00 53.14 O ATOM 456 CB ILE A 28 -0.965 1.215 -4.278 1.00 11.13 C ATOM 457 CG1 ILE A 28 -0.126 1.702 -3.091 1.00 41.25 C ATOM 458 CG2 ILE A 28 -2.307 0.692 -3.767 1.00 24.31 C ATOM 459 CD1 ILE A 28 -0.805 2.746 -2.216 1.00 42.33 C ATOM 0 H ILE A 28 1.270 1.404 -5.674 1.00 45.24 H new ATOM 0 HA ILE A 28 -0.132 -0.771 -4.346 1.00 20.53 H new ATOM 0 HB ILE A 28 -1.132 2.044 -4.966 1.00 11.13 H new ATOM 0 HG12 ILE A 28 0.135 0.844 -2.472 1.00 41.25 H new ATOM 0 HG13 ILE A 28 0.808 2.117 -3.470 1.00 41.25 H new ATOM 0 HG21 ILE A 28 -2.833 1.490 -3.243 1.00 24.31 H new ATOM 0 HG22 ILE A 28 -2.910 0.352 -4.609 1.00 24.31 H new ATOM 0 HG23 ILE A 28 -2.137 -0.140 -3.084 1.00 24.31 H new ATOM 0 HD11 ILE A 28 -0.137 3.030 -1.403 1.00 42.33 H new ATOM 0 HD12 ILE A 28 -1.041 3.625 -2.815 1.00 42.33 H new ATOM 0 HD13 ILE A 28 -1.724 2.332 -1.802 1.00 42.33 H new ATOM 471 N LEU A 29 -1.599 -1.540 -6.150 1.00 40.43 N ATOM 472 CA LEU A 29 -2.437 -2.128 -7.163 1.00 0.35 C ATOM 473 C LEU A 29 -3.892 -1.972 -6.770 1.00 53.31 C ATOM 474 O LEU A 29 -4.377 -2.623 -5.843 1.00 44.11 O ATOM 475 CB LEU A 29 -2.096 -3.620 -7.340 1.00 43.52 C ATOM 476 CG LEU A 29 -3.027 -4.440 -8.255 1.00 62.55 C ATOM 477 CD1 LEU A 29 -3.142 -3.820 -9.636 1.00 34.52 C ATOM 478 CD2 LEU A 29 -2.526 -5.862 -8.363 1.00 72.12 C ATOM 0 H LEU A 29 -1.496 -2.130 -5.325 1.00 40.43 H new ATOM 0 HA LEU A 29 -2.262 -1.617 -8.110 1.00 0.35 H new ATOM 0 HB2 LEU A 29 -1.082 -3.693 -7.733 1.00 43.52 H new ATOM 0 HB3 LEU A 29 -2.090 -4.087 -6.355 1.00 43.52 H new ATOM 0 HG LEU A 29 -4.021 -4.439 -7.807 1.00 62.55 H new ATOM 0 HD11 LEU A 29 -3.806 -4.426 -10.253 1.00 34.52 H new ATOM 0 HD12 LEU A 29 -3.546 -2.811 -9.550 1.00 34.52 H new ATOM 0 HD13 LEU A 29 -2.156 -3.777 -10.099 1.00 34.52 H new ATOM 0 HD21 LEU A 29 -3.190 -6.434 -9.011 1.00 72.12 H new ATOM 0 HD22 LEU A 29 -1.520 -5.862 -8.783 1.00 72.12 H new ATOM 0 HD23 LEU A 29 -2.506 -6.317 -7.373 1.00 72.12 H new ATOM 490 N ASN A 30 -4.573 -1.124 -7.451 1.00 64.21 N ATOM 491 CA ASN A 30 -5.956 -0.892 -7.166 1.00 4.51 C ATOM 492 C ASN A 30 -6.811 -1.843 -7.973 1.00 62.13 C ATOM 493 O ASN A 30 -6.595 -2.025 -9.166 1.00 1.14 O ATOM 494 CB ASN A 30 -6.334 0.579 -7.424 1.00 52.24 C ATOM 495 CG ASN A 30 -6.130 1.015 -8.865 1.00 54.04 C ATOM 496 OD1 ASN A 30 -5.040 1.454 -9.240 1.00 62.02 O ATOM 497 ND2 ASN A 30 -7.157 0.913 -9.661 1.00 14.21 N ATOM 0 H ASN A 30 -4.197 -0.569 -8.220 1.00 64.21 H new ATOM 0 HA ASN A 30 -6.139 -1.084 -6.109 1.00 4.51 H new ATOM 0 HB2 ASN A 30 -7.379 0.730 -7.152 1.00 52.24 H new ATOM 0 HB3 ASN A 30 -5.739 1.218 -6.772 1.00 52.24 H new ATOM 0 HD21 ASN A 30 -7.077 1.202 -10.636 1.00 14.21 H new ATOM 0 HD22 ASN A 30 -8.040 0.544 -9.309 1.00 14.21 H new ATOM 504 N THR A 31 -7.713 -2.499 -7.316 1.00 41.34 N ATOM 505 CA THR A 31 -8.613 -3.400 -7.967 1.00 4.33 C ATOM 506 C THR A 31 -10.057 -2.975 -7.656 1.00 33.14 C ATOM 507 O THR A 31 -10.433 -2.873 -6.489 1.00 34.21 O ATOM 508 CB THR A 31 -8.361 -4.841 -7.492 1.00 40.05 C ATOM 509 OG1 THR A 31 -6.970 -5.160 -7.676 1.00 23.12 O ATOM 510 CG2 THR A 31 -9.207 -5.842 -8.275 1.00 75.22 C ATOM 0 H THR A 31 -7.848 -2.425 -6.308 1.00 41.34 H new ATOM 0 HA THR A 31 -8.450 -3.366 -9.044 1.00 4.33 H new ATOM 0 HB THR A 31 -8.637 -4.907 -6.440 1.00 40.05 H new ATOM 0 HG1 THR A 31 -6.886 -6.081 -8.000 1.00 23.12 H new ATOM 0 HG21 THR A 31 -9.004 -6.850 -7.914 1.00 75.22 H new ATOM 0 HG22 THR A 31 -10.263 -5.612 -8.136 1.00 75.22 H new ATOM 0 HG23 THR A 31 -8.958 -5.779 -9.334 1.00 75.22 H new ATOM 518 N PRO A 32 -10.859 -2.734 -8.716 1.00 62.34 N ATOM 519 CA PRO A 32 -12.280 -2.229 -8.665 1.00 1.13 C ATOM 520 C PRO A 32 -13.218 -2.841 -7.589 1.00 15.31 C ATOM 521 O PRO A 32 -14.261 -2.265 -7.283 1.00 52.12 O ATOM 522 CB PRO A 32 -12.802 -2.641 -10.038 1.00 33.24 C ATOM 523 CG PRO A 32 -11.628 -2.529 -10.935 1.00 51.42 C ATOM 524 CD PRO A 32 -10.427 -2.922 -10.116 1.00 40.02 C ATOM 0 HA PRO A 32 -12.275 -1.169 -8.409 1.00 1.13 H new ATOM 0 HB2 PRO A 32 -13.194 -3.658 -10.024 1.00 33.24 H new ATOM 0 HB3 PRO A 32 -13.614 -1.991 -10.365 1.00 33.24 H new ATOM 0 HG2 PRO A 32 -11.738 -3.182 -11.801 1.00 51.42 H new ATOM 0 HG3 PRO A 32 -11.524 -1.512 -11.313 1.00 51.42 H new ATOM 0 HD2 PRO A 32 -10.137 -3.955 -10.307 1.00 40.02 H new ATOM 0 HD3 PRO A 32 -9.564 -2.300 -10.352 1.00 40.02 H new ATOM 532 N ASN A 33 -12.852 -3.966 -7.029 1.00 61.14 N ATOM 533 CA ASN A 33 -13.721 -4.690 -6.113 1.00 21.04 C ATOM 534 C ASN A 33 -12.921 -5.408 -5.037 1.00 3.31 C ATOM 535 O ASN A 33 -13.458 -6.197 -4.258 1.00 50.25 O ATOM 536 CB ASN A 33 -14.617 -5.670 -6.905 1.00 60.53 C ATOM 537 CG ASN A 33 -13.837 -6.581 -7.856 1.00 73.33 C ATOM 538 OD1 ASN A 33 -12.682 -6.948 -7.608 1.00 60.53 O ATOM 539 ND2 ASN A 33 -14.453 -6.925 -8.966 1.00 33.40 N ATOM 0 H ASN A 33 -11.948 -4.411 -7.189 1.00 61.14 H new ATOM 0 HA ASN A 33 -14.362 -3.972 -5.601 1.00 21.04 H new ATOM 0 HB2 ASN A 33 -15.177 -6.287 -6.202 1.00 60.53 H new ATOM 0 HB3 ASN A 33 -15.347 -5.099 -7.479 1.00 60.53 H new ATOM 0 HD21 ASN A 33 -13.978 -7.511 -9.652 1.00 33.40 H new ATOM 0 HD22 ASN A 33 -15.406 -6.606 -9.140 1.00 33.40 H new ATOM 546 N CYS A 34 -11.649 -5.098 -4.976 1.00 52.12 N ATOM 547 CA CYS A 34 -10.761 -5.693 -4.010 1.00 65.30 C ATOM 548 C CYS A 34 -9.917 -4.643 -3.354 1.00 15.24 C ATOM 549 O CYS A 34 -8.916 -4.958 -2.695 1.00 2.14 O ATOM 550 CB CYS A 34 -9.893 -6.758 -4.647 1.00 65.21 C ATOM 551 SG CYS A 34 -10.785 -8.266 -5.121 1.00 11.31 S ATOM 0 H CYS A 34 -11.200 -4.424 -5.597 1.00 52.12 H new ATOM 0 HA CYS A 34 -11.370 -6.174 -3.245 1.00 65.30 H new ATOM 0 HB2 CYS A 34 -9.416 -6.339 -5.533 1.00 65.21 H new ATOM 0 HB3 CYS A 34 -9.097 -7.024 -3.952 1.00 65.21 H new ATOM 556 N ALA A 35 -10.352 -3.383 -3.518 1.00 73.24 N ATOM 557 CA ALA A 35 -9.717 -2.219 -2.917 1.00 71.21 C ATOM 558 C ALA A 35 -8.353 -1.954 -3.505 1.00 75.31 C ATOM 559 O ALA A 35 -7.983 -2.512 -4.553 1.00 4.34 O ATOM 560 CB ALA A 35 -9.600 -2.426 -1.438 1.00 74.52 C ATOM 0 H ALA A 35 -11.169 -3.150 -4.083 1.00 73.24 H new ATOM 0 HA ALA A 35 -10.340 -1.350 -3.128 1.00 71.21 H new ATOM 0 HB1 ALA A 35 -9.125 -1.556 -0.985 1.00 74.52 H new ATOM 0 HB2 ALA A 35 -10.593 -2.561 -1.010 1.00 74.52 H new ATOM 0 HB3 ALA A 35 -8.997 -3.312 -1.241 1.00 74.52 H new ATOM 566 N LEU A 36 -7.619 -1.079 -2.870 1.00 15.13 N ATOM 567 CA LEU A 36 -6.298 -0.821 -3.278 1.00 64.31 C ATOM 568 C LEU A 36 -5.311 -1.630 -2.462 1.00 12.33 C ATOM 569 O LEU A 36 -5.140 -1.441 -1.269 1.00 70.35 O ATOM 570 CB LEU A 36 -5.992 0.695 -3.430 1.00 23.32 C ATOM 571 CG LEU A 36 -6.239 1.646 -2.248 1.00 44.21 C ATOM 572 CD1 LEU A 36 -5.159 1.549 -1.189 1.00 23.14 C ATOM 573 CD2 LEU A 36 -6.369 3.054 -2.759 1.00 34.02 C ATOM 0 H LEU A 36 -7.933 -0.538 -2.064 1.00 15.13 H new ATOM 0 HA LEU A 36 -6.171 -1.181 -4.299 1.00 64.31 H new ATOM 0 HB2 LEU A 36 -4.942 0.789 -3.709 1.00 23.32 H new ATOM 0 HB3 LEU A 36 -6.579 1.063 -4.271 1.00 23.32 H new ATOM 0 HG LEU A 36 -7.168 1.346 -1.764 1.00 44.21 H new ATOM 0 HD11 LEU A 36 -5.382 2.241 -0.377 1.00 23.14 H new ATOM 0 HD12 LEU A 36 -5.122 0.532 -0.799 1.00 23.14 H new ATOM 0 HD13 LEU A 36 -4.195 1.804 -1.628 1.00 23.14 H new ATOM 0 HD21 LEU A 36 -6.544 3.730 -1.922 1.00 34.02 H new ATOM 0 HD22 LEU A 36 -5.451 3.341 -3.271 1.00 34.02 H new ATOM 0 HD23 LEU A 36 -7.206 3.113 -3.454 1.00 34.02 H new ATOM 585 N GLN A 37 -4.731 -2.572 -3.120 1.00 21.52 N ATOM 586 CA GLN A 37 -3.800 -3.485 -2.533 1.00 55.12 C ATOM 587 C GLN A 37 -2.419 -2.978 -2.754 1.00 72.12 C ATOM 588 O GLN A 37 -2.014 -2.726 -3.870 1.00 25.44 O ATOM 589 CB GLN A 37 -3.990 -4.839 -3.167 1.00 15.22 C ATOM 590 CG GLN A 37 -5.271 -5.545 -2.740 1.00 15.21 C ATOM 591 CD GLN A 37 -5.959 -6.240 -3.880 1.00 23.24 C ATOM 592 OE1 GLN A 37 -6.553 -7.298 -3.716 1.00 42.25 O ATOM 593 NE2 GLN A 37 -5.987 -5.594 -5.009 1.00 31.52 N ATOM 0 H GLN A 37 -4.893 -2.738 -4.113 1.00 21.52 H new ATOM 0 HA GLN A 37 -3.966 -3.574 -1.459 1.00 55.12 H new ATOM 0 HB2 GLN A 37 -3.993 -4.725 -4.251 1.00 15.22 H new ATOM 0 HB3 GLN A 37 -3.138 -5.470 -2.916 1.00 15.22 H new ATOM 0 HG2 GLN A 37 -5.038 -6.274 -1.964 1.00 15.21 H new ATOM 0 HG3 GLN A 37 -5.952 -4.817 -2.300 1.00 15.21 H new ATOM 0 HE21 GLN A 37 -5.479 -4.715 -5.106 1.00 31.52 H new ATOM 0 HE22 GLN A 37 -6.517 -5.967 -5.797 1.00 31.52 H new ATOM 602 N ILE A 38 -1.701 -2.852 -1.720 1.00 62.34 N ATOM 603 CA ILE A 38 -0.420 -2.237 -1.773 1.00 2.52 C ATOM 604 C ILE A 38 0.652 -3.293 -1.821 1.00 42.30 C ATOM 605 O ILE A 38 0.610 -4.231 -1.080 1.00 24.52 O ATOM 606 CB ILE A 38 -0.252 -1.414 -0.504 1.00 35.52 C ATOM 607 CG1 ILE A 38 -1.400 -0.413 -0.377 1.00 62.15 C ATOM 608 CG2 ILE A 38 1.115 -0.718 -0.449 1.00 55.35 C ATOM 609 CD1 ILE A 38 -1.453 0.280 0.942 1.00 13.32 C ATOM 0 H ILE A 38 -1.977 -3.173 -0.792 1.00 62.34 H new ATOM 0 HA ILE A 38 -0.337 -1.610 -2.661 1.00 2.52 H new ATOM 0 HB ILE A 38 -0.287 -2.091 0.349 1.00 35.52 H new ATOM 0 HG12 ILE A 38 -1.307 0.334 -1.165 1.00 62.15 H new ATOM 0 HG13 ILE A 38 -2.343 -0.934 -0.541 1.00 62.15 H new ATOM 0 HG21 ILE A 38 1.193 -0.142 0.473 1.00 55.35 H new ATOM 0 HG22 ILE A 38 1.906 -1.467 -0.476 1.00 55.35 H new ATOM 0 HG23 ILE A 38 1.218 -0.050 -1.304 1.00 55.35 H new ATOM 0 HD11 ILE A 38 -2.294 0.974 0.955 1.00 13.32 H new ATOM 0 HD12 ILE A 38 -1.578 -0.457 1.735 1.00 13.32 H new ATOM 0 HD13 ILE A 38 -0.526 0.831 1.101 1.00 13.32 H new ATOM 621 N VAL A 39 1.567 -3.155 -2.716 1.00 43.24 N ATOM 622 CA VAL A 39 2.695 -4.049 -2.786 1.00 64.31 C ATOM 623 C VAL A 39 3.925 -3.258 -2.428 1.00 13.43 C ATOM 624 O VAL A 39 4.241 -2.266 -3.074 1.00 24.21 O ATOM 625 CB VAL A 39 2.863 -4.658 -4.199 1.00 55.22 C ATOM 626 CG1 VAL A 39 4.092 -5.552 -4.276 1.00 11.34 C ATOM 627 CG2 VAL A 39 1.613 -5.420 -4.621 1.00 0.21 C ATOM 0 H VAL A 39 1.565 -2.422 -3.426 1.00 43.24 H new ATOM 0 HA VAL A 39 2.538 -4.878 -2.096 1.00 64.31 H new ATOM 0 HB VAL A 39 3.007 -3.832 -4.895 1.00 55.22 H new ATOM 0 HG11 VAL A 39 4.180 -5.963 -5.282 1.00 11.34 H new ATOM 0 HG12 VAL A 39 4.982 -4.968 -4.044 1.00 11.34 H new ATOM 0 HG13 VAL A 39 3.995 -6.366 -3.558 1.00 11.34 H new ATOM 0 HG21 VAL A 39 1.760 -5.837 -5.617 1.00 0.21 H new ATOM 0 HG22 VAL A 39 1.423 -6.228 -3.914 1.00 0.21 H new ATOM 0 HG23 VAL A 39 0.760 -4.741 -4.634 1.00 0.21 H new ATOM 637 N ALA A 40 4.594 -3.670 -1.419 1.00 21.13 N ATOM 638 CA ALA A 40 5.735 -2.950 -0.959 1.00 31.31 C ATOM 639 C ALA A 40 6.853 -3.870 -0.607 1.00 65.40 C ATOM 640 O ALA A 40 6.624 -4.986 -0.159 1.00 52.43 O ATOM 641 CB ALA A 40 5.358 -2.166 0.248 1.00 22.24 C ATOM 0 H ALA A 40 4.374 -4.511 -0.885 1.00 21.13 H new ATOM 0 HA ALA A 40 6.071 -2.292 -1.760 1.00 31.31 H new ATOM 0 HB1 ALA A 40 6.225 -1.612 0.607 1.00 22.24 H new ATOM 0 HB2 ALA A 40 4.561 -1.468 -0.006 1.00 22.24 H new ATOM 0 HB3 ALA A 40 5.012 -2.844 1.028 1.00 22.24 H new ATOM 647 N ARG A 41 8.049 -3.424 -0.836 1.00 53.22 N ATOM 648 CA ARG A 41 9.203 -4.141 -0.437 1.00 52.24 C ATOM 649 C ARG A 41 9.920 -3.444 0.661 1.00 53.52 C ATOM 650 O ARG A 41 9.950 -2.214 0.715 1.00 22.15 O ATOM 651 CB ARG A 41 10.099 -4.421 -1.604 1.00 61.44 C ATOM 652 CG ARG A 41 9.995 -5.845 -2.024 1.00 4.01 C ATOM 653 CD ARG A 41 10.710 -6.130 -3.282 1.00 15.03 C ATOM 654 NE ARG A 41 10.166 -5.378 -4.420 1.00 55.44 N ATOM 655 CZ ARG A 41 10.292 -5.753 -5.693 1.00 20.42 C ATOM 656 NH1 ARG A 41 10.971 -6.852 -5.997 1.00 72.31 N ATOM 657 NH2 ARG A 41 9.741 -5.030 -6.660 1.00 33.10 N ATOM 0 H ARG A 41 8.245 -2.543 -1.310 1.00 53.22 H new ATOM 0 HA ARG A 41 8.878 -5.104 -0.044 1.00 52.24 H new ATOM 0 HB2 ARG A 41 9.831 -3.771 -2.437 1.00 61.44 H new ATOM 0 HB3 ARG A 41 11.131 -4.190 -1.339 1.00 61.44 H new ATOM 0 HG2 ARG A 41 10.394 -6.481 -1.234 1.00 4.01 H new ATOM 0 HG3 ARG A 41 8.944 -6.107 -2.143 1.00 4.01 H new ATOM 0 HD2 ARG A 41 11.765 -5.885 -3.160 1.00 15.03 H new ATOM 0 HD3 ARG A 41 10.653 -7.197 -3.495 1.00 15.03 H new ATOM 0 HE ARG A 41 9.660 -4.514 -4.224 1.00 55.44 H new ATOM 0 HH11 ARG A 41 11.396 -7.410 -5.257 1.00 72.31 H new ATOM 0 HH12 ARG A 41 11.067 -7.139 -6.971 1.00 72.31 H new ATOM 0 HH21 ARG A 41 9.219 -4.184 -6.430 1.00 33.10 H new ATOM 0 HH22 ARG A 41 9.840 -5.320 -7.633 1.00 33.10 H new ATOM 671 N LEU A 42 10.473 -4.215 1.546 1.00 41.43 N ATOM 672 CA LEU A 42 11.187 -3.680 2.673 1.00 63.03 C ATOM 673 C LEU A 42 12.623 -3.415 2.280 1.00 33.54 C ATOM 674 O LEU A 42 13.136 -4.026 1.347 1.00 73.32 O ATOM 675 CB LEU A 42 11.138 -4.653 3.846 1.00 2.34 C ATOM 676 CG LEU A 42 9.740 -5.179 4.218 1.00 71.25 C ATOM 677 CD1 LEU A 42 9.810 -6.113 5.406 1.00 11.32 C ATOM 678 CD2 LEU A 42 8.762 -4.040 4.480 1.00 74.31 C ATOM 0 H LEU A 42 10.444 -5.234 1.511 1.00 41.43 H new ATOM 0 HA LEU A 42 10.716 -2.746 2.980 1.00 63.03 H new ATOM 0 HB2 LEU A 42 11.777 -5.505 3.615 1.00 2.34 H new ATOM 0 HB3 LEU A 42 11.566 -4.162 4.720 1.00 2.34 H new ATOM 0 HG LEU A 42 9.366 -5.743 3.363 1.00 71.25 H new ATOM 0 HD11 LEU A 42 8.809 -6.470 5.648 1.00 11.32 H new ATOM 0 HD12 LEU A 42 10.449 -6.962 5.164 1.00 11.32 H new ATOM 0 HD13 LEU A 42 10.222 -5.581 6.263 1.00 11.32 H new ATOM 0 HD21 LEU A 42 7.786 -4.451 4.740 1.00 74.31 H new ATOM 0 HD22 LEU A 42 9.129 -3.428 5.304 1.00 74.31 H new ATOM 0 HD23 LEU A 42 8.670 -3.426 3.584 1.00 74.31 H new ATOM 690 N LYS A 43 13.257 -2.518 2.978 1.00 53.33 N ATOM 691 CA LYS A 43 14.623 -2.142 2.682 1.00 1.35 C ATOM 692 C LYS A 43 15.615 -3.239 3.061 1.00 53.12 C ATOM 693 O LYS A 43 16.292 -3.809 2.196 1.00 44.13 O ATOM 694 CB LYS A 43 14.982 -0.845 3.409 1.00 44.10 C ATOM 695 CG LYS A 43 14.091 0.329 3.046 1.00 14.41 C ATOM 696 CD LYS A 43 14.464 1.592 3.799 1.00 55.42 C ATOM 697 CE LYS A 43 15.865 2.066 3.454 1.00 15.12 C ATOM 698 NZ LYS A 43 16.213 3.306 4.168 1.00 44.42 N ATOM 0 H LYS A 43 12.848 -2.022 3.770 1.00 53.33 H new ATOM 0 HA LYS A 43 14.692 -1.991 1.605 1.00 1.35 H new ATOM 0 HB2 LYS A 43 14.924 -1.014 4.484 1.00 44.10 H new ATOM 0 HB3 LYS A 43 16.017 -0.587 3.183 1.00 44.10 H new ATOM 0 HG2 LYS A 43 14.158 0.515 1.974 1.00 14.41 H new ATOM 0 HG3 LYS A 43 13.053 0.074 3.261 1.00 14.41 H new ATOM 0 HD2 LYS A 43 13.747 2.379 3.565 1.00 55.42 H new ATOM 0 HD3 LYS A 43 14.397 1.408 4.871 1.00 55.42 H new ATOM 0 HE2 LYS A 43 16.585 1.287 3.706 1.00 15.12 H new ATOM 0 HE3 LYS A 43 15.938 2.232 2.379 1.00 15.12 H new ATOM 0 HZ1 LYS A 43 17.176 3.598 3.907 1.00 44.42 H new ATOM 0 HZ2 LYS A 43 15.541 4.056 3.908 1.00 44.42 H new ATOM 0 HZ3 LYS A 43 16.168 3.140 5.194 1.00 44.42 H new ATOM 712 N ASN A 44 15.689 -3.532 4.345 1.00 11.02 N ATOM 713 CA ASN A 44 16.688 -4.472 4.864 1.00 42.33 C ATOM 714 C ASN A 44 16.273 -5.918 4.666 1.00 73.40 C ATOM 715 O ASN A 44 17.092 -6.775 4.343 1.00 70.14 O ATOM 716 CB ASN A 44 16.960 -4.200 6.353 1.00 21.45 C ATOM 717 CG ASN A 44 18.030 -5.110 6.946 1.00 41.42 C ATOM 718 OD1 ASN A 44 17.735 -6.201 7.451 1.00 53.53 O ATOM 719 ND2 ASN A 44 19.264 -4.666 6.909 1.00 22.23 N ATOM 0 H ASN A 44 15.073 -3.137 5.056 1.00 11.02 H new ATOM 0 HA ASN A 44 17.604 -4.313 4.294 1.00 42.33 H new ATOM 0 HB2 ASN A 44 17.267 -3.161 6.475 1.00 21.45 H new ATOM 0 HB3 ASN A 44 16.034 -4.326 6.914 1.00 21.45 H new ATOM 0 HD21 ASN A 44 20.019 -5.225 7.305 1.00 22.23 H new ATOM 0 HD22 ASN A 44 19.468 -3.761 6.484 1.00 22.23 H new ATOM 726 N ASN A 45 15.006 -6.177 4.832 1.00 61.54 N ATOM 727 CA ASN A 45 14.505 -7.534 4.782 1.00 14.51 C ATOM 728 C ASN A 45 14.104 -7.920 3.360 1.00 3.42 C ATOM 729 O ASN A 45 13.977 -9.097 3.039 1.00 75.45 O ATOM 730 CB ASN A 45 13.350 -7.699 5.781 1.00 41.31 C ATOM 731 CG ASN A 45 12.877 -9.127 5.931 1.00 4.25 C ATOM 732 OD1 ASN A 45 13.636 -10.069 5.709 1.00 33.32 O ATOM 733 ND2 ASN A 45 11.655 -9.301 6.366 1.00 11.21 N ATOM 0 H ASN A 45 14.294 -5.467 5.004 1.00 61.54 H new ATOM 0 HA ASN A 45 15.300 -8.220 5.075 1.00 14.51 H new ATOM 0 HB2 ASN A 45 13.667 -7.326 6.755 1.00 41.31 H new ATOM 0 HB3 ASN A 45 12.512 -7.080 5.460 1.00 41.31 H new ATOM 0 HD21 ASN A 45 11.302 -10.243 6.533 1.00 11.21 H new ATOM 0 HD22 ASN A 45 11.055 -8.494 6.539 1.00 11.21 H new ATOM 740 N ASN A 46 13.893 -6.905 2.525 1.00 41.21 N ATOM 741 CA ASN A 46 13.610 -7.058 1.075 1.00 3.32 C ATOM 742 C ASN A 46 12.315 -7.870 0.787 1.00 23.41 C ATOM 743 O ASN A 46 12.035 -8.235 -0.349 1.00 11.04 O ATOM 744 CB ASN A 46 14.836 -7.691 0.365 1.00 31.45 C ATOM 745 CG ASN A 46 14.738 -7.690 -1.156 1.00 24.24 C ATOM 746 OD1 ASN A 46 14.142 -6.793 -1.759 1.00 75.45 O ATOM 747 ND2 ASN A 46 15.302 -8.689 -1.777 1.00 20.21 N ATOM 0 H ASN A 46 13.911 -5.931 2.829 1.00 41.21 H new ATOM 0 HA ASN A 46 13.431 -6.061 0.673 1.00 3.32 H new ATOM 0 HB2 ASN A 46 15.735 -7.150 0.662 1.00 31.45 H new ATOM 0 HB3 ASN A 46 14.954 -8.718 0.711 1.00 31.45 H new ATOM 0 HD21 ASN A 46 15.259 -8.747 -2.794 1.00 20.21 H new ATOM 0 HD22 ASN A 46 15.786 -9.412 -1.245 1.00 20.21 H new ATOM 754 N ARG A 47 11.516 -8.132 1.804 1.00 74.52 N ATOM 755 CA ARG A 47 10.287 -8.843 1.591 1.00 11.41 C ATOM 756 C ARG A 47 9.312 -8.009 0.874 1.00 52.34 C ATOM 757 O ARG A 47 9.207 -6.808 1.117 1.00 2.03 O ATOM 758 CB ARG A 47 9.654 -9.362 2.858 1.00 22.31 C ATOM 759 CG ARG A 47 10.328 -10.536 3.510 1.00 1.42 C ATOM 760 CD ARG A 47 9.470 -11.018 4.663 1.00 73.20 C ATOM 761 NE ARG A 47 8.144 -11.475 4.205 1.00 54.54 N ATOM 762 CZ ARG A 47 6.966 -11.158 4.777 1.00 2.22 C ATOM 763 NH1 ARG A 47 6.923 -10.419 5.887 1.00 45.31 N ATOM 764 NH2 ARG A 47 5.838 -11.601 4.236 1.00 61.14 N ATOM 0 H ARG A 47 11.699 -7.864 2.771 1.00 74.52 H new ATOM 0 HA ARG A 47 10.561 -9.709 0.988 1.00 11.41 H new ATOM 0 HB2 ARG A 47 9.616 -8.546 3.580 1.00 22.31 H new ATOM 0 HB3 ARG A 47 8.624 -9.640 2.636 1.00 22.31 H new ATOM 0 HG2 ARG A 47 10.471 -11.338 2.786 1.00 1.42 H new ATOM 0 HG3 ARG A 47 11.317 -10.251 3.870 1.00 1.42 H new ATOM 0 HD2 ARG A 47 9.978 -11.834 5.178 1.00 73.20 H new ATOM 0 HD3 ARG A 47 9.347 -10.212 5.386 1.00 73.20 H new ATOM 0 HE ARG A 47 8.117 -12.082 3.386 1.00 54.54 H new ATOM 0 HH11 ARG A 47 7.789 -10.087 6.312 1.00 45.31 H new ATOM 0 HH12 ARG A 47 6.025 -10.186 6.310 1.00 45.31 H new ATOM 0 HH21 ARG A 47 5.868 -12.176 3.394 1.00 61.14 H new ATOM 0 HH22 ARG A 47 4.941 -11.366 4.662 1.00 61.14 H new ATOM 778 N GLN A 48 8.616 -8.632 -0.004 1.00 44.11 N ATOM 779 CA GLN A 48 7.632 -7.999 -0.771 1.00 41.21 C ATOM 780 C GLN A 48 6.318 -8.413 -0.169 1.00 2.35 C ATOM 781 O GLN A 48 5.983 -9.608 -0.139 1.00 44.10 O ATOM 782 CB GLN A 48 7.763 -8.498 -2.195 1.00 60.44 C ATOM 783 CG GLN A 48 6.996 -7.719 -3.214 1.00 61.21 C ATOM 784 CD GLN A 48 7.166 -8.290 -4.602 1.00 53.34 C ATOM 785 OE1 GLN A 48 7.352 -9.494 -4.772 1.00 22.44 O ATOM 786 NE2 GLN A 48 7.127 -7.448 -5.591 1.00 22.42 N ATOM 0 H GLN A 48 8.726 -9.625 -0.208 1.00 44.11 H new ATOM 0 HA GLN A 48 7.718 -6.912 -0.780 1.00 41.21 H new ATOM 0 HB2 GLN A 48 8.817 -8.488 -2.471 1.00 60.44 H new ATOM 0 HB3 GLN A 48 7.434 -9.536 -2.231 1.00 60.44 H new ATOM 0 HG2 GLN A 48 5.939 -7.716 -2.949 1.00 61.21 H new ATOM 0 HG3 GLN A 48 7.329 -6.681 -3.205 1.00 61.21 H new ATOM 0 HE21 GLN A 48 6.970 -6.456 -5.411 1.00 22.42 H new ATOM 0 HE22 GLN A 48 7.253 -7.779 -6.548 1.00 22.42 H new ATOM 795 N VAL A 49 5.589 -7.471 0.314 1.00 1.44 N ATOM 796 CA VAL A 49 4.389 -7.756 1.039 1.00 13.35 C ATOM 797 C VAL A 49 3.246 -6.935 0.539 1.00 74.01 C ATOM 798 O VAL A 49 3.444 -5.870 -0.065 1.00 24.00 O ATOM 799 CB VAL A 49 4.570 -7.479 2.574 1.00 74.41 C ATOM 800 CG1 VAL A 49 5.665 -8.346 3.165 1.00 31.43 C ATOM 801 CG2 VAL A 49 4.869 -6.004 2.844 1.00 42.04 C ATOM 0 H VAL A 49 5.802 -6.478 0.221 1.00 1.44 H new ATOM 0 HA VAL A 49 4.173 -8.813 0.884 1.00 13.35 H new ATOM 0 HB VAL A 49 3.627 -7.734 3.057 1.00 74.41 H new ATOM 0 HG11 VAL A 49 5.766 -8.130 4.229 1.00 31.43 H new ATOM 0 HG12 VAL A 49 5.409 -9.397 3.030 1.00 31.43 H new ATOM 0 HG13 VAL A 49 6.608 -8.135 2.661 1.00 31.43 H new ATOM 0 HG21 VAL A 49 4.988 -5.847 3.916 1.00 42.04 H new ATOM 0 HG22 VAL A 49 5.788 -5.719 2.331 1.00 42.04 H new ATOM 0 HG23 VAL A 49 4.044 -5.393 2.478 1.00 42.04 H new ATOM 811 N CYS A 50 2.065 -7.427 0.759 1.00 21.42 N ATOM 812 CA CYS A 50 0.900 -6.672 0.479 1.00 5.14 C ATOM 813 C CYS A 50 0.614 -5.844 1.699 1.00 45.54 C ATOM 814 O CYS A 50 0.618 -6.361 2.805 1.00 41.21 O ATOM 815 CB CYS A 50 -0.289 -7.577 0.163 1.00 33.12 C ATOM 816 SG CYS A 50 0.008 -8.738 -1.231 1.00 12.44 S ATOM 0 H CYS A 50 1.891 -8.359 1.136 1.00 21.42 H new ATOM 0 HA CYS A 50 1.060 -6.045 -0.398 1.00 5.14 H new ATOM 0 HB2 CYS A 50 -0.542 -8.152 1.054 1.00 33.12 H new ATOM 0 HB3 CYS A 50 -1.153 -6.956 -0.072 1.00 33.12 H new ATOM 821 N ILE A 51 0.432 -4.590 1.520 1.00 23.34 N ATOM 822 CA ILE A 51 0.162 -3.715 2.609 1.00 12.51 C ATOM 823 C ILE A 51 -1.283 -3.329 2.609 1.00 33.24 C ATOM 824 O ILE A 51 -1.893 -3.147 1.544 1.00 21.10 O ATOM 825 CB ILE A 51 1.081 -2.474 2.623 1.00 34.42 C ATOM 826 CG1 ILE A 51 2.521 -2.933 2.695 1.00 1.20 C ATOM 827 CG2 ILE A 51 0.757 -1.565 3.790 1.00 20.32 C ATOM 828 CD1 ILE A 51 3.510 -1.822 2.983 1.00 40.41 C ATOM 0 H ILE A 51 0.465 -4.133 0.609 1.00 23.34 H new ATOM 0 HA ILE A 51 0.382 -4.258 3.528 1.00 12.51 H new ATOM 0 HB ILE A 51 0.920 -1.902 1.709 1.00 34.42 H new ATOM 0 HG12 ILE A 51 2.610 -3.694 3.470 1.00 1.20 H new ATOM 0 HG13 ILE A 51 2.788 -3.407 1.750 1.00 1.20 H new ATOM 0 HG21 ILE A 51 1.421 -0.700 3.773 1.00 20.32 H new ATOM 0 HG22 ILE A 51 -0.277 -1.230 3.714 1.00 20.32 H new ATOM 0 HG23 ILE A 51 0.894 -2.109 4.724 1.00 20.32 H new ATOM 0 HD11 ILE A 51 4.519 -2.233 3.018 1.00 40.41 H new ATOM 0 HD12 ILE A 51 3.452 -1.070 2.196 1.00 40.41 H new ATOM 0 HD13 ILE A 51 3.272 -1.362 3.942 1.00 40.41 H new ATOM 840 N ASP A 52 -1.834 -3.255 3.782 1.00 64.22 N ATOM 841 CA ASP A 52 -3.214 -2.973 3.951 1.00 2.33 C ATOM 842 C ASP A 52 -3.423 -1.477 3.985 1.00 74.21 C ATOM 843 O ASP A 52 -2.732 -0.760 4.735 1.00 70.30 O ATOM 844 CB ASP A 52 -3.673 -3.552 5.256 1.00 63.30 C ATOM 845 CG ASP A 52 -5.186 -3.671 5.367 1.00 10.14 C ATOM 846 OD1 ASP A 52 -5.905 -2.673 5.149 1.00 13.23 O ATOM 847 OD2 ASP A 52 -5.669 -4.771 5.710 1.00 23.25 O ATOM 0 H ASP A 52 -1.326 -3.392 4.656 1.00 64.22 H new ATOM 0 HA ASP A 52 -3.778 -3.406 3.125 1.00 2.33 H new ATOM 0 HB2 ASP A 52 -3.228 -4.539 5.383 1.00 63.30 H new ATOM 0 HB3 ASP A 52 -3.304 -2.929 6.071 1.00 63.30 H new ATOM 852 N PRO A 53 -4.354 -0.979 3.183 1.00 70.40 N ATOM 853 CA PRO A 53 -4.705 0.436 3.151 1.00 34.35 C ATOM 854 C PRO A 53 -5.156 1.008 4.517 1.00 31.22 C ATOM 855 O PRO A 53 -5.155 2.226 4.705 1.00 71.24 O ATOM 856 CB PRO A 53 -5.866 0.505 2.146 1.00 60.25 C ATOM 857 CG PRO A 53 -6.303 -0.905 1.938 1.00 71.41 C ATOM 858 CD PRO A 53 -5.117 -1.754 2.188 1.00 63.54 C ATOM 0 HA PRO A 53 -3.836 1.036 2.881 1.00 34.35 H new ATOM 0 HB2 PRO A 53 -6.683 1.115 2.532 1.00 60.25 H new ATOM 0 HB3 PRO A 53 -5.546 0.958 1.208 1.00 60.25 H new ATOM 0 HG2 PRO A 53 -7.115 -1.164 2.617 1.00 71.41 H new ATOM 0 HG3 PRO A 53 -6.677 -1.050 0.924 1.00 71.41 H new ATOM 0 HD2 PRO A 53 -5.397 -2.735 2.570 1.00 63.54 H new ATOM 0 HD3 PRO A 53 -4.541 -1.919 1.278 1.00 63.54 H new ATOM 866 N LYS A 54 -5.532 0.146 5.471 1.00 71.13 N ATOM 867 CA LYS A 54 -6.008 0.636 6.768 1.00 44.11 C ATOM 868 C LYS A 54 -4.876 1.027 7.731 1.00 2.14 C ATOM 869 O LYS A 54 -5.139 1.461 8.861 1.00 52.21 O ATOM 870 CB LYS A 54 -6.963 -0.332 7.432 1.00 20.11 C ATOM 871 CG LYS A 54 -6.365 -1.627 7.893 1.00 30.00 C ATOM 872 CD LYS A 54 -7.424 -2.473 8.522 1.00 63.02 C ATOM 873 CE LYS A 54 -8.491 -2.919 7.511 1.00 63.24 C ATOM 874 NZ LYS A 54 -9.539 -3.762 8.135 1.00 51.42 N ATOM 0 H LYS A 54 -5.517 -0.869 5.373 1.00 71.13 H new ATOM 0 HA LYS A 54 -6.555 1.551 6.538 1.00 44.11 H new ATOM 0 HB2 LYS A 54 -7.414 0.164 8.291 1.00 20.11 H new ATOM 0 HB3 LYS A 54 -7.769 -0.555 6.733 1.00 20.11 H new ATOM 0 HG2 LYS A 54 -5.918 -2.153 7.050 1.00 30.00 H new ATOM 0 HG3 LYS A 54 -5.566 -1.436 8.609 1.00 30.00 H new ATOM 0 HD2 LYS A 54 -6.963 -3.352 8.972 1.00 63.02 H new ATOM 0 HD3 LYS A 54 -7.901 -1.915 9.328 1.00 63.02 H new ATOM 0 HE2 LYS A 54 -8.954 -2.040 7.063 1.00 63.24 H new ATOM 0 HE3 LYS A 54 -8.014 -3.474 6.704 1.00 63.24 H new ATOM 0 HZ1 LYS A 54 -10.236 -4.039 7.415 1.00 51.42 H new ATOM 0 HZ2 LYS A 54 -9.103 -4.615 8.540 1.00 51.42 H new ATOM 0 HZ3 LYS A 54 -10.014 -3.225 8.888 1.00 51.42 H new ATOM 888 N LEU A 55 -3.627 0.875 7.308 1.00 61.23 N ATOM 889 CA LEU A 55 -2.504 1.310 8.123 1.00 24.23 C ATOM 890 C LEU A 55 -2.472 2.829 8.172 1.00 3.35 C ATOM 891 O LEU A 55 -2.662 3.494 7.149 1.00 44.33 O ATOM 892 CB LEU A 55 -1.189 0.764 7.580 1.00 52.33 C ATOM 893 CG LEU A 55 -0.930 -0.746 7.755 1.00 62.32 C ATOM 894 CD1 LEU A 55 0.373 -1.123 7.105 1.00 74.32 C ATOM 895 CD2 LEU A 55 -0.873 -1.125 9.225 1.00 50.11 C ATOM 0 H LEU A 55 -3.369 0.458 6.414 1.00 61.23 H new ATOM 0 HA LEU A 55 -2.632 0.920 9.133 1.00 24.23 H new ATOM 0 HB2 LEU A 55 -1.141 0.994 6.516 1.00 52.33 H new ATOM 0 HB3 LEU A 55 -0.374 1.305 8.061 1.00 52.33 H new ATOM 0 HG LEU A 55 -1.753 -1.282 7.283 1.00 62.32 H new ATOM 0 HD11 LEU A 55 0.548 -2.191 7.233 1.00 74.32 H new ATOM 0 HD12 LEU A 55 0.331 -0.887 6.042 1.00 74.32 H new ATOM 0 HD13 LEU A 55 1.186 -0.564 7.568 1.00 74.32 H new ATOM 0 HD21 LEU A 55 -0.689 -2.195 9.318 1.00 50.11 H new ATOM 0 HD22 LEU A 55 -0.068 -0.575 9.712 1.00 50.11 H new ATOM 0 HD23 LEU A 55 -1.821 -0.877 9.702 1.00 50.11 H new ATOM 907 N LYS A 56 -2.216 3.376 9.342 1.00 63.42 N ATOM 908 CA LYS A 56 -2.254 4.822 9.528 1.00 31.54 C ATOM 909 C LYS A 56 -1.155 5.533 8.754 1.00 10.41 C ATOM 910 O LYS A 56 -1.407 6.562 8.133 1.00 35.13 O ATOM 911 CB LYS A 56 -2.238 5.231 11.008 1.00 75.45 C ATOM 912 CG LYS A 56 -2.227 6.742 11.200 1.00 4.32 C ATOM 913 CD LYS A 56 -2.180 7.137 12.654 1.00 64.14 C ATOM 914 CE LYS A 56 -2.095 8.645 12.780 1.00 53.13 C ATOM 915 NZ LYS A 56 -2.051 9.097 14.181 1.00 42.12 N ATOM 0 H LYS A 56 -1.979 2.847 10.181 1.00 63.42 H new ATOM 0 HA LYS A 56 -3.210 5.146 9.116 1.00 31.54 H new ATOM 0 HB2 LYS A 56 -3.112 4.812 11.506 1.00 75.45 H new ATOM 0 HB3 LYS A 56 -1.360 4.801 11.490 1.00 75.45 H new ATOM 0 HG2 LYS A 56 -1.365 7.165 10.684 1.00 4.32 H new ATOM 0 HG3 LYS A 56 -3.117 7.170 10.739 1.00 4.32 H new ATOM 0 HD2 LYS A 56 -3.069 6.771 13.168 1.00 64.14 H new ATOM 0 HD3 LYS A 56 -1.319 6.675 13.137 1.00 64.14 H new ATOM 0 HE2 LYS A 56 -1.205 8.999 12.260 1.00 53.13 H new ATOM 0 HE3 LYS A 56 -2.954 9.096 12.284 1.00 53.13 H new ATOM 0 HZ1 LYS A 56 -1.993 10.135 14.209 1.00 42.12 H new ATOM 0 HZ2 LYS A 56 -2.912 8.785 14.674 1.00 42.12 H new ATOM 0 HZ3 LYS A 56 -1.217 8.691 14.651 1.00 42.12 H new ATOM 929 N TRP A 57 0.051 4.985 8.758 1.00 61.25 N ATOM 930 CA TRP A 57 1.146 5.616 8.025 1.00 34.23 C ATOM 931 C TRP A 57 0.871 5.552 6.519 1.00 72.32 C ATOM 932 O TRP A 57 1.340 6.387 5.745 1.00 35.52 O ATOM 933 CB TRP A 57 2.521 5.011 8.383 1.00 74.14 C ATOM 934 CG TRP A 57 2.756 3.601 7.934 1.00 50.25 C ATOM 935 CD1 TRP A 57 2.496 2.451 8.614 1.00 23.15 C ATOM 936 CD2 TRP A 57 3.333 3.206 6.697 1.00 13.04 C ATOM 937 NE1 TRP A 57 2.867 1.374 7.862 1.00 74.54 N ATOM 938 CE2 TRP A 57 3.386 1.811 6.682 1.00 65.54 C ATOM 939 CE3 TRP A 57 3.805 3.908 5.596 1.00 72.42 C ATOM 940 CZ2 TRP A 57 3.896 1.101 5.608 1.00 43.11 C ATOM 941 CZ3 TRP A 57 4.312 3.212 4.532 1.00 62.42 C ATOM 942 CH2 TRP A 57 4.355 1.819 4.543 1.00 5.24 C ATOM 0 H TRP A 57 0.297 4.125 9.248 1.00 61.25 H new ATOM 0 HA TRP A 57 1.193 6.662 8.326 1.00 34.23 H new ATOM 0 HB2 TRP A 57 3.297 5.643 7.951 1.00 74.14 H new ATOM 0 HB3 TRP A 57 2.643 5.052 9.465 1.00 74.14 H new ATOM 0 HD1 TRP A 57 2.061 2.398 9.601 1.00 23.15 H new ATOM 0 HE1 TRP A 57 2.771 0.397 8.140 1.00 74.54 H new ATOM 0 HE3 TRP A 57 3.773 4.987 5.579 1.00 72.42 H new ATOM 0 HZ2 TRP A 57 3.929 0.022 5.613 1.00 43.11 H new ATOM 0 HZ3 TRP A 57 4.684 3.750 3.672 1.00 62.42 H new ATOM 0 HH2 TRP A 57 4.761 1.296 3.689 1.00 5.24 H new ATOM 953 N ILE A 58 0.095 4.558 6.124 1.00 42.43 N ATOM 954 CA ILE A 58 -0.358 4.427 4.760 1.00 54.12 C ATOM 955 C ILE A 58 -1.382 5.518 4.470 1.00 53.02 C ATOM 956 O ILE A 58 -1.342 6.150 3.428 1.00 54.43 O ATOM 957 CB ILE A 58 -0.940 3.008 4.483 1.00 25.33 C ATOM 958 CG1 ILE A 58 0.168 1.950 4.498 1.00 11.43 C ATOM 959 CG2 ILE A 58 -1.673 2.963 3.177 1.00 24.21 C ATOM 960 CD1 ILE A 58 1.200 2.143 3.398 1.00 21.32 C ATOM 0 H ILE A 58 -0.237 3.820 6.745 1.00 42.43 H new ATOM 0 HA ILE A 58 0.492 4.548 4.089 1.00 54.12 H new ATOM 0 HB ILE A 58 -1.649 2.786 5.281 1.00 25.33 H new ATOM 0 HG12 ILE A 58 0.670 1.973 5.465 1.00 11.43 H new ATOM 0 HG13 ILE A 58 -0.281 0.962 4.396 1.00 11.43 H new ATOM 0 HG21 ILE A 58 -2.066 1.959 3.015 1.00 24.21 H new ATOM 0 HG22 ILE A 58 -2.497 3.676 3.197 1.00 24.21 H new ATOM 0 HG23 ILE A 58 -0.990 3.220 2.367 1.00 24.21 H new ATOM 0 HD11 ILE A 58 1.955 1.360 3.466 1.00 21.32 H new ATOM 0 HD12 ILE A 58 0.710 2.090 2.426 1.00 21.32 H new ATOM 0 HD13 ILE A 58 1.676 3.117 3.512 1.00 21.32 H new ATOM 972 N GLN A 59 -2.265 5.765 5.417 1.00 24.41 N ATOM 973 CA GLN A 59 -3.225 6.858 5.304 1.00 52.15 C ATOM 974 C GLN A 59 -2.499 8.184 5.123 1.00 1.42 C ATOM 975 O GLN A 59 -2.916 9.023 4.318 1.00 62.23 O ATOM 976 CB GLN A 59 -4.143 6.900 6.524 1.00 11.10 C ATOM 977 CG GLN A 59 -5.072 5.707 6.624 1.00 63.55 C ATOM 978 CD GLN A 59 -6.064 5.678 5.495 1.00 65.33 C ATOM 979 OE1 GLN A 59 -7.158 6.234 5.603 1.00 12.01 O ATOM 980 NE2 GLN A 59 -5.707 5.040 4.420 1.00 1.12 N ATOM 0 H GLN A 59 -2.342 5.224 6.279 1.00 24.41 H new ATOM 0 HA GLN A 59 -3.845 6.685 4.424 1.00 52.15 H new ATOM 0 HB2 GLN A 59 -3.533 6.952 7.426 1.00 11.10 H new ATOM 0 HB3 GLN A 59 -4.739 7.812 6.489 1.00 11.10 H new ATOM 0 HG2 GLN A 59 -4.486 4.788 6.617 1.00 63.55 H new ATOM 0 HG3 GLN A 59 -5.604 5.739 7.575 1.00 63.55 H new ATOM 0 HE21 GLN A 59 -4.791 4.593 4.372 1.00 1.12 H new ATOM 0 HE22 GLN A 59 -6.343 4.986 3.624 1.00 1.12 H new ATOM 989 N GLU A 60 -1.392 8.350 5.855 1.00 51.41 N ATOM 990 CA GLU A 60 -0.555 9.537 5.738 1.00 1.14 C ATOM 991 C GLU A 60 0.105 9.569 4.358 1.00 64.34 C ATOM 992 O GLU A 60 0.255 10.623 3.762 1.00 43.43 O ATOM 993 CB GLU A 60 0.535 9.552 6.820 1.00 54.22 C ATOM 994 CG GLU A 60 0.019 9.415 8.240 1.00 74.34 C ATOM 995 CD GLU A 60 1.118 9.531 9.271 1.00 53.20 C ATOM 996 OE1 GLU A 60 2.049 8.692 9.279 1.00 73.31 O ATOM 997 OE2 GLU A 60 1.058 10.454 10.107 1.00 22.11 O ATOM 0 H GLU A 60 -1.058 7.669 6.537 1.00 51.41 H new ATOM 0 HA GLU A 60 -1.189 10.414 5.869 1.00 1.14 H new ATOM 0 HB2 GLU A 60 1.236 8.741 6.622 1.00 54.22 H new ATOM 0 HB3 GLU A 60 1.095 10.484 6.740 1.00 54.22 H new ATOM 0 HG2 GLU A 60 -0.731 10.184 8.426 1.00 74.34 H new ATOM 0 HG3 GLU A 60 -0.478 8.451 8.351 1.00 74.34 H new ATOM 1004 N TYR A 61 0.482 8.390 3.870 1.00 11.14 N ATOM 1005 CA TYR A 61 1.117 8.223 2.561 1.00 71.30 C ATOM 1006 C TYR A 61 0.224 8.689 1.425 1.00 2.35 C ATOM 1007 O TYR A 61 0.642 9.515 0.587 1.00 40.43 O ATOM 1008 CB TYR A 61 1.541 6.758 2.333 1.00 55.21 C ATOM 1009 CG TYR A 61 1.926 6.448 0.907 1.00 25.01 C ATOM 1010 CD1 TYR A 61 3.095 6.946 0.344 1.00 44.53 C ATOM 1011 CD2 TYR A 61 1.102 5.660 0.117 1.00 42.23 C ATOM 1012 CE1 TYR A 61 3.422 6.663 -0.966 1.00 25.32 C ATOM 1013 CE2 TYR A 61 1.423 5.373 -1.180 1.00 3.21 C ATOM 1014 CZ TYR A 61 2.581 5.875 -1.723 1.00 53.03 C ATOM 1015 OH TYR A 61 2.902 5.583 -3.026 1.00 13.53 O ATOM 0 H TYR A 61 0.355 7.513 4.376 1.00 11.14 H new ATOM 0 HA TYR A 61 2.006 8.853 2.564 1.00 71.30 H new ATOM 0 HB2 TYR A 61 2.384 6.528 2.985 1.00 55.21 H new ATOM 0 HB3 TYR A 61 0.722 6.103 2.629 1.00 55.21 H new ATOM 0 HD1 TYR A 61 3.754 7.561 0.938 1.00 44.53 H new ATOM 0 HD2 TYR A 61 0.188 5.265 0.535 1.00 42.23 H new ATOM 0 HE1 TYR A 61 4.331 7.056 -1.396 1.00 25.32 H new ATOM 0 HE2 TYR A 61 0.769 4.754 -1.776 1.00 3.21 H new ATOM 0 HH TYR A 61 2.204 5.016 -3.416 1.00 13.53 H new ATOM 1025 N LEU A 62 -0.990 8.163 1.363 1.00 11.35 N ATOM 1026 CA LEU A 62 -1.866 8.562 0.295 1.00 23.03 C ATOM 1027 C LEU A 62 -2.298 9.987 0.468 1.00 61.24 C ATOM 1028 O LEU A 62 -2.400 10.712 -0.495 1.00 41.10 O ATOM 1029 CB LEU A 62 -3.072 7.633 0.052 1.00 53.33 C ATOM 1030 CG LEU A 62 -2.764 6.166 -0.318 1.00 25.30 C ATOM 1031 CD1 LEU A 62 -2.657 5.291 0.893 1.00 54.22 C ATOM 1032 CD2 LEU A 62 -3.756 5.620 -1.327 1.00 2.10 C ATOM 0 H LEU A 62 -1.373 7.483 2.019 1.00 11.35 H new ATOM 0 HA LEU A 62 -1.269 8.471 -0.612 1.00 23.03 H new ATOM 0 HB2 LEU A 62 -3.687 7.633 0.952 1.00 53.33 H new ATOM 0 HB3 LEU A 62 -3.676 8.064 -0.746 1.00 53.33 H new ATOM 0 HG LEU A 62 -1.785 6.159 -0.797 1.00 25.30 H new ATOM 0 HD11 LEU A 62 -2.440 4.268 0.585 1.00 54.22 H new ATOM 0 HD12 LEU A 62 -1.855 5.655 1.535 1.00 54.22 H new ATOM 0 HD13 LEU A 62 -3.599 5.312 1.442 1.00 54.22 H new ATOM 0 HD21 LEU A 62 -3.505 4.586 -1.561 1.00 2.10 H new ATOM 0 HD22 LEU A 62 -4.762 5.663 -0.909 1.00 2.10 H new ATOM 0 HD23 LEU A 62 -3.716 6.218 -2.237 1.00 2.10 H new ATOM 1044 N GLU A 63 -2.512 10.398 1.713 1.00 14.02 N ATOM 1045 CA GLU A 63 -2.869 11.775 2.012 1.00 71.33 C ATOM 1046 C GLU A 63 -1.788 12.705 1.472 1.00 5.21 C ATOM 1047 O GLU A 63 -2.078 13.717 0.858 1.00 54.13 O ATOM 1048 CB GLU A 63 -3.004 11.942 3.507 1.00 31.43 C ATOM 1049 CG GLU A 63 -3.508 13.281 3.957 1.00 61.43 C ATOM 1050 CD GLU A 63 -3.684 13.327 5.442 1.00 71.44 C ATOM 1051 OE1 GLU A 63 -4.694 12.781 5.944 1.00 61.11 O ATOM 1052 OE2 GLU A 63 -2.805 13.878 6.142 1.00 64.43 O ATOM 0 H GLU A 63 -2.444 9.793 2.532 1.00 14.02 H new ATOM 0 HA GLU A 63 -3.819 12.024 1.540 1.00 71.33 H new ATOM 0 HB2 GLU A 63 -3.678 11.173 3.883 1.00 31.43 H new ATOM 0 HB3 GLU A 63 -2.031 11.765 3.966 1.00 31.43 H new ATOM 0 HG2 GLU A 63 -2.808 14.058 3.648 1.00 61.43 H new ATOM 0 HG3 GLU A 63 -4.459 13.496 3.470 1.00 61.43 H new ATOM 1059 N LYS A 64 -0.552 12.309 1.691 1.00 42.54 N ATOM 1060 CA LYS A 64 0.622 13.007 1.219 1.00 62.23 C ATOM 1061 C LYS A 64 0.551 13.196 -0.301 1.00 25.01 C ATOM 1062 O LYS A 64 0.384 14.314 -0.801 1.00 32.22 O ATOM 1063 CB LYS A 64 1.833 12.148 1.540 1.00 41.21 C ATOM 1064 CG LYS A 64 3.160 12.702 1.128 1.00 13.52 C ATOM 1065 CD LYS A 64 3.615 13.806 2.063 1.00 34.21 C ATOM 1066 CE LYS A 64 5.003 14.289 1.707 1.00 63.30 C ATOM 1067 NZ LYS A 64 5.486 15.322 2.647 1.00 45.41 N ATOM 0 H LYS A 64 -0.331 11.465 2.220 1.00 42.54 H new ATOM 0 HA LYS A 64 0.687 13.984 1.698 1.00 62.23 H new ATOM 0 HB2 LYS A 64 1.854 11.972 2.616 1.00 41.21 H new ATOM 0 HB3 LYS A 64 1.702 11.178 1.061 1.00 41.21 H new ATOM 0 HG2 LYS A 64 3.902 11.903 1.118 1.00 13.52 H new ATOM 0 HG3 LYS A 64 3.094 13.089 0.111 1.00 13.52 H new ATOM 0 HD2 LYS A 64 2.914 14.639 2.014 1.00 34.21 H new ATOM 0 HD3 LYS A 64 3.606 13.442 3.090 1.00 34.21 H new ATOM 0 HE2 LYS A 64 5.693 13.445 1.710 1.00 63.30 H new ATOM 0 HE3 LYS A 64 4.998 14.693 0.695 1.00 63.30 H new ATOM 0 HZ1 LYS A 64 6.441 15.626 2.368 1.00 45.41 H new ATOM 0 HZ2 LYS A 64 4.842 16.139 2.626 1.00 45.41 H new ATOM 0 HZ3 LYS A 64 5.516 14.929 3.609 1.00 45.41 H new ATOM 1081 N ALA A 65 0.667 12.088 -1.010 1.00 72.21 N ATOM 1082 CA ALA A 65 0.654 12.065 -2.482 1.00 32.40 C ATOM 1083 C ALA A 65 -0.619 12.658 -3.111 1.00 51.11 C ATOM 1084 O ALA A 65 -0.555 13.270 -4.185 1.00 21.22 O ATOM 1085 CB ALA A 65 0.859 10.655 -2.991 1.00 71.12 C ATOM 0 H ALA A 65 0.774 11.166 -0.588 1.00 72.21 H new ATOM 0 HA ALA A 65 1.480 12.707 -2.790 1.00 32.40 H new ATOM 0 HB1 ALA A 65 0.847 10.656 -4.081 1.00 71.12 H new ATOM 0 HB2 ALA A 65 1.819 10.277 -2.639 1.00 71.12 H new ATOM 0 HB3 ALA A 65 0.059 10.014 -2.620 1.00 71.12 H new ATOM 1091 N LEU A 66 -1.760 12.476 -2.477 1.00 52.44 N ATOM 1092 CA LEU A 66 -3.013 12.970 -3.044 1.00 22.15 C ATOM 1093 C LEU A 66 -3.228 14.455 -2.766 1.00 63.13 C ATOM 1094 O LEU A 66 -3.816 15.165 -3.585 1.00 15.22 O ATOM 1095 CB LEU A 66 -4.223 12.150 -2.559 1.00 62.44 C ATOM 1096 CG LEU A 66 -4.226 10.651 -2.911 1.00 52.21 C ATOM 1097 CD1 LEU A 66 -5.464 9.973 -2.353 1.00 71.55 C ATOM 1098 CD2 LEU A 66 -4.139 10.441 -4.414 1.00 64.01 C ATOM 0 H LEU A 66 -1.853 11.997 -1.581 1.00 52.44 H new ATOM 0 HA LEU A 66 -2.929 12.845 -4.124 1.00 22.15 H new ATOM 0 HB2 LEU A 66 -4.287 12.245 -1.475 1.00 62.44 H new ATOM 0 HB3 LEU A 66 -5.126 12.599 -2.972 1.00 62.44 H new ATOM 0 HG LEU A 66 -3.346 10.199 -2.454 1.00 52.21 H new ATOM 0 HD11 LEU A 66 -5.447 8.914 -2.612 1.00 71.55 H new ATOM 0 HD12 LEU A 66 -5.480 10.081 -1.268 1.00 71.55 H new ATOM 0 HD13 LEU A 66 -6.355 10.436 -2.777 1.00 71.55 H new ATOM 0 HD21 LEU A 66 -4.143 9.373 -4.633 1.00 64.01 H new ATOM 0 HD22 LEU A 66 -4.994 10.914 -4.898 1.00 64.01 H new ATOM 0 HD23 LEU A 66 -3.218 10.885 -4.791 1.00 64.01 H new ATOM 1110 N ASN A 67 -2.753 14.928 -1.626 1.00 31.05 N ATOM 1111 CA ASN A 67 -2.919 16.342 -1.269 1.00 34.05 C ATOM 1112 C ASN A 67 -1.763 17.161 -1.839 1.00 10.10 C ATOM 1113 O ASN A 67 -1.826 18.381 -1.900 1.00 5.22 O ATOM 1114 CB ASN A 67 -3.004 16.511 0.265 1.00 61.34 C ATOM 1115 CG ASN A 67 -3.386 17.917 0.709 1.00 32.14 C ATOM 1116 OD1 ASN A 67 -4.573 18.226 0.841 1.00 72.43 O ATOM 1117 ND2 ASN A 67 -2.409 18.757 0.967 1.00 63.23 N ATOM 0 H ASN A 67 -2.254 14.368 -0.934 1.00 31.05 H new ATOM 0 HA ASN A 67 -3.852 16.706 -1.699 1.00 34.05 H new ATOM 0 HB2 ASN A 67 -3.735 15.805 0.659 1.00 61.34 H new ATOM 0 HB3 ASN A 67 -2.041 16.251 0.704 1.00 61.34 H new ATOM 0 HD21 ASN A 67 -2.620 19.702 1.289 1.00 63.23 H new ATOM 0 HD22 ASN A 67 -1.439 18.464 0.846 1.00 63.23 H new ATOM 1124 N LYS A 68 -0.704 16.450 -2.239 1.00 31.15 N ATOM 1125 CA LYS A 68 0.489 17.020 -2.868 1.00 5.14 C ATOM 1126 C LYS A 68 0.131 18.012 -3.970 1.00 64.32 C ATOM 1127 O LYS A 68 -0.301 17.576 -5.056 1.00 39.83 O ATOM 1128 CB LYS A 68 1.353 15.896 -3.436 1.00 34.24 C ATOM 1129 CG LYS A 68 2.599 16.362 -4.159 1.00 70.25 C ATOM 1130 CD LYS A 68 3.371 15.177 -4.671 1.00 44.14 C ATOM 1131 CE LYS A 68 4.612 15.590 -5.455 1.00 3.14 C ATOM 1132 NZ LYS A 68 5.582 16.370 -4.644 1.00 74.24 N ATOM 1133 OXT LYS A 68 0.319 19.231 -3.759 1.00 39.83 O ATOM 0 H LYS A 68 -0.653 15.437 -2.131 1.00 31.15 H new ATOM 0 HA LYS A 68 1.044 17.565 -2.105 1.00 5.14 H new ATOM 0 HB2 LYS A 68 1.648 15.235 -2.621 1.00 34.24 H new ATOM 0 HB3 LYS A 68 0.750 15.304 -4.124 1.00 34.24 H new ATOM 0 HG2 LYS A 68 2.325 17.014 -4.989 1.00 70.25 H new ATOM 0 HG3 LYS A 68 3.223 16.949 -3.485 1.00 70.25 H new ATOM 0 HD2 LYS A 68 3.667 14.549 -3.831 1.00 44.14 H new ATOM 0 HD3 LYS A 68 2.725 14.573 -5.309 1.00 44.14 H new ATOM 0 HE2 LYS A 68 5.105 14.697 -5.840 1.00 3.14 H new ATOM 0 HE3 LYS A 68 4.309 16.184 -6.317 1.00 3.14 H new ATOM 0 HZ1 LYS A 68 6.453 16.519 -5.193 1.00 74.24 H new ATOM 0 HZ2 LYS A 68 5.167 17.291 -4.397 1.00 74.24 H new ATOM 0 HZ3 LYS A 68 5.807 15.847 -3.774 1.00 74.24 H new TER 1147 LYS A 68