USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 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 74 THR OG1 : rot -84:sc= 0.267 USER MOD Set 1.2: A 75 THR OG1 : rot 150:sc= 0.0347 USER MOD Set 2.1: A 62 THR OG1 : rot -87:sc= -1.53! USER MOD Set 2.2: A 66 GLN : amide:sc= -0.168! C(o=-1.7!,f=-2.7!) USER MOD Set 3.1: A 24 GLN : amide:sc= -1.01 K(o=-2.1,f=-0.0039) USER MOD Set 3.2: A 53 ASN : amide:sc= -1.11 K(o=-2.1,f=-1.2) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -7.8! C(o=-9.8!,f=-9.4!) USER MOD Set 4.2: A 21 MET CE :methyl -107:sc= -1.38 (180deg=-0.675) USER MOD Set 4.3: A 87 HIS : no HD1:sc= -0.612 K(o=-9.8,f=-9.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.362 K(o=-0.36,f=-1.9) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.9!) USER MOD Single : A 35 GLN : amide:sc= -3.61! C(o=-3.6!,f=-4.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.3) USER MOD Single : A 46 HIS : no HE2:sc= -1.57! C(o=-1.6!,f=-8.4!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 172:sc= -1.69 (180deg=-2.03) USER MOD Single : A 61 THR OG1 : rot -29:sc= 0.629 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -108:sc= -1.68 (180deg=-5.75!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0465 K(o=-0.046,f=-1.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -120:sc= 0.0857 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.599 -6.252 16.377 1.00 0.00 N ATOM 2 CA GLY A 1 -4.984 -5.516 15.188 1.00 0.00 C ATOM 3 C GLY A 1 -6.447 -5.704 14.837 1.00 0.00 C ATOM 4 O GLY A 1 -7.330 -5.313 15.600 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.591 -6.090 16.574 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.166 -5.927 17.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.763 -7.268 16.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.784 -4.455 15.340 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.368 -5.839 14.349 1.00 0.00 H new ATOM 8 N SER A 2 -6.705 -6.304 13.679 1.00 0.00 N ATOM 9 CA SER A 2 -8.071 -6.538 13.227 1.00 0.00 C ATOM 10 C SER A 2 -8.733 -5.232 12.797 1.00 0.00 C ATOM 11 O SER A 2 -9.888 -4.970 13.130 1.00 0.00 O ATOM 12 CB SER A 2 -8.892 -7.197 14.337 1.00 0.00 C ATOM 13 OG SER A 2 -9.544 -8.364 13.865 1.00 0.00 O ATOM 0 H SER A 2 -5.986 -6.637 13.037 1.00 0.00 H new ATOM 0 HA SER A 2 -8.033 -7.206 12.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.240 -7.453 15.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.632 -6.491 14.715 1.00 0.00 H new ATOM 0 HG SER A 2 -10.061 -8.767 14.594 1.00 0.00 H new ATOM 19 N SER A 3 -7.990 -4.416 12.056 1.00 0.00 N ATOM 20 CA SER A 3 -8.501 -3.135 11.583 1.00 0.00 C ATOM 21 C SER A 3 -9.317 -3.313 10.308 1.00 0.00 C ATOM 22 O SER A 3 -8.781 -3.671 9.260 1.00 0.00 O ATOM 23 CB SER A 3 -7.347 -2.161 11.333 1.00 0.00 C ATOM 24 OG SER A 3 -7.008 -1.456 12.514 1.00 0.00 O ATOM 0 H SER A 3 -7.032 -4.619 11.770 1.00 0.00 H new ATOM 0 HA SER A 3 -9.152 -2.725 12.355 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.477 -2.709 10.971 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.627 -1.454 10.552 1.00 0.00 H new ATOM 0 HG SER A 3 -6.267 -0.842 12.327 1.00 0.00 H new ATOM 30 N GLY A 4 -10.619 -3.061 10.404 1.00 0.00 N ATOM 31 CA GLY A 4 -11.489 -3.199 9.251 1.00 0.00 C ATOM 32 C GLY A 4 -12.250 -1.924 8.942 1.00 0.00 C ATOM 33 O GLY A 4 -12.392 -1.054 9.801 1.00 0.00 O ATOM 0 H GLY A 4 -11.087 -2.764 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.894 -3.483 8.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.198 -4.007 9.430 1.00 0.00 H new ATOM 37 N SER A 5 -12.739 -1.811 7.712 1.00 0.00 N ATOM 38 CA SER A 5 -13.484 -0.632 7.290 1.00 0.00 C ATOM 39 C SER A 5 -14.629 -1.016 6.357 1.00 0.00 C ATOM 40 O SER A 5 -14.434 -1.750 5.388 1.00 0.00 O ATOM 41 CB SER A 5 -12.554 0.362 6.591 1.00 0.00 C ATOM 42 OG SER A 5 -12.805 1.688 7.025 1.00 0.00 O ATOM 0 H SER A 5 -12.632 -2.523 6.989 1.00 0.00 H new ATOM 0 HA SER A 5 -13.905 -0.162 8.179 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.516 0.099 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.692 0.297 5.512 1.00 0.00 H new ATOM 0 HG SER A 5 -12.197 2.303 6.565 1.00 0.00 H new ATOM 48 N SER A 6 -15.823 -0.515 6.658 1.00 0.00 N ATOM 49 CA SER A 6 -17.000 -0.809 5.850 1.00 0.00 C ATOM 50 C SER A 6 -17.907 0.414 5.747 1.00 0.00 C ATOM 51 O SER A 6 -17.963 1.237 6.659 1.00 0.00 O ATOM 52 CB SER A 6 -17.775 -1.984 6.448 1.00 0.00 C ATOM 53 OG SER A 6 -18.424 -1.608 7.650 1.00 0.00 O ATOM 0 H SER A 6 -16.000 0.096 7.455 1.00 0.00 H new ATOM 0 HA SER A 6 -16.665 -1.077 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.513 -2.341 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.093 -2.812 6.643 1.00 0.00 H new ATOM 0 HG SER A 6 -18.914 -2.376 8.011 1.00 0.00 H new ATOM 59 N GLY A 7 -18.617 0.524 4.628 1.00 0.00 N ATOM 60 CA GLY A 7 -19.512 1.649 4.426 1.00 0.00 C ATOM 61 C GLY A 7 -18.952 2.669 3.455 1.00 0.00 C ATOM 62 O GLY A 7 -18.826 3.847 3.788 1.00 0.00 O ATOM 0 H GLY A 7 -18.589 -0.145 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.470 1.285 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.705 2.132 5.384 1.00 0.00 H new ATOM 66 N GLN A 8 -18.613 2.215 2.253 1.00 0.00 N ATOM 67 CA GLN A 8 -18.061 3.097 1.231 1.00 0.00 C ATOM 68 C GLN A 8 -19.140 3.532 0.246 1.00 0.00 C ATOM 69 O GLN A 8 -18.899 3.616 -0.959 1.00 0.00 O ATOM 70 CB GLN A 8 -16.923 2.398 0.484 1.00 0.00 C ATOM 71 CG GLN A 8 -15.735 2.056 1.369 1.00 0.00 C ATOM 72 CD GLN A 8 -15.646 0.575 1.680 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.486 -0.214 1.246 1.00 0.00 O ATOM 74 NE2 GLN A 8 -14.625 0.190 2.437 1.00 0.00 N ATOM 0 H GLN A 8 -18.711 1.242 1.963 1.00 0.00 H new ATOM 0 HA GLN A 8 -17.669 3.985 1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -17.304 1.482 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.586 3.039 -0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.816 2.376 0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.809 2.615 2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.952 0.878 2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.513 -0.794 2.681 1.00 0.00 H new ATOM 83 N LYS A 9 -20.332 3.807 0.765 1.00 0.00 N ATOM 84 CA LYS A 9 -21.449 4.235 -0.069 1.00 0.00 C ATOM 85 C LYS A 9 -21.008 5.300 -1.067 1.00 0.00 C ATOM 86 O LYS A 9 -20.088 6.073 -0.800 1.00 0.00 O ATOM 87 CB LYS A 9 -22.584 4.779 0.803 1.00 0.00 C ATOM 88 CG LYS A 9 -23.494 3.698 1.360 1.00 0.00 C ATOM 89 CD LYS A 9 -23.841 3.956 2.817 1.00 0.00 C ATOM 90 CE LYS A 9 -25.065 3.164 3.248 1.00 0.00 C ATOM 91 NZ LYS A 9 -24.771 2.278 4.409 1.00 0.00 N ATOM 0 H LYS A 9 -20.549 3.741 1.759 1.00 0.00 H new ATOM 0 HA LYS A 9 -21.807 3.368 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.156 5.344 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.180 5.477 0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -24.409 3.652 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -23.006 2.728 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.993 3.688 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -24.024 5.020 2.965 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -25.869 3.852 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -25.421 2.562 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.630 1.755 4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -24.021 1.605 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.456 2.855 5.215 1.00 0.00 H new ATOM 105 N GLY A 10 -21.670 5.336 -2.220 1.00 0.00 N ATOM 106 CA GLY A 10 -21.332 6.311 -3.240 1.00 0.00 C ATOM 107 C GLY A 10 -19.866 6.262 -3.626 1.00 0.00 C ATOM 108 O GLY A 10 -19.190 5.259 -3.396 1.00 0.00 O ATOM 0 H GLY A 10 -22.434 4.707 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -21.944 6.134 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -21.576 7.310 -2.879 1.00 0.00 H new ATOM 112 N ARG A 11 -19.374 7.347 -4.215 1.00 0.00 N ATOM 113 CA ARG A 11 -17.981 7.422 -4.636 1.00 0.00 C ATOM 114 C ARG A 11 -17.164 8.271 -3.665 1.00 0.00 C ATOM 115 O ARG A 11 -17.712 9.101 -2.938 1.00 0.00 O ATOM 116 CB ARG A 11 -17.883 8.005 -6.046 1.00 0.00 C ATOM 117 CG ARG A 11 -17.290 7.042 -7.063 1.00 0.00 C ATOM 118 CD ARG A 11 -15.794 7.259 -7.229 1.00 0.00 C ATOM 119 NE ARG A 11 -15.205 6.310 -8.170 1.00 0.00 N ATOM 120 CZ ARG A 11 -15.231 6.469 -9.488 1.00 0.00 C ATOM 121 NH1 ARG A 11 -15.814 7.536 -10.019 1.00 0.00 N ATOM 122 NH2 ARG A 11 -14.672 5.561 -10.278 1.00 0.00 N ATOM 0 H ARG A 11 -19.920 8.186 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 11 -17.574 6.411 -4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.878 8.303 -6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.274 8.908 -6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.477 6.016 -6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.787 7.175 -8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.612 8.276 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.304 7.161 -6.260 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.748 5.479 -7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.243 8.236 -9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.833 7.656 -11.032 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.222 4.740 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.692 5.684 -11.290 1.00 0.00 H new ATOM 136 N VAL A 12 -15.852 8.058 -3.659 1.00 0.00 N ATOM 137 CA VAL A 12 -14.961 8.804 -2.779 1.00 0.00 C ATOM 138 C VAL A 12 -13.668 9.176 -3.495 1.00 0.00 C ATOM 139 O VAL A 12 -12.580 9.065 -2.931 1.00 0.00 O ATOM 140 CB VAL A 12 -14.620 7.998 -1.512 1.00 0.00 C ATOM 141 CG1 VAL A 12 -15.617 8.298 -0.404 1.00 0.00 C ATOM 142 CG2 VAL A 12 -14.586 6.509 -1.822 1.00 0.00 C ATOM 0 H VAL A 12 -15.383 7.375 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.488 9.713 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.630 8.297 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.360 7.719 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.587 9.361 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.620 8.029 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.344 5.954 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.561 6.192 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.829 6.313 -2.581 1.00 0.00 H new ATOM 152 N GLU A 13 -13.794 9.621 -4.741 1.00 0.00 N ATOM 153 CA GLU A 13 -12.634 10.010 -5.535 1.00 0.00 C ATOM 154 C GLU A 13 -11.781 11.031 -4.787 1.00 0.00 C ATOM 155 O GLU A 13 -11.999 12.238 -4.897 1.00 0.00 O ATOM 156 CB GLU A 13 -13.079 10.587 -6.880 1.00 0.00 C ATOM 157 CG GLU A 13 -11.923 10.998 -7.778 1.00 0.00 C ATOM 158 CD GLU A 13 -12.389 11.606 -9.086 1.00 0.00 C ATOM 159 OE1 GLU A 13 -13.592 11.492 -9.399 1.00 0.00 O ATOM 160 OE2 GLU A 13 -11.549 12.197 -9.797 1.00 0.00 O ATOM 0 H GLU A 13 -14.688 9.721 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.031 9.119 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.687 9.847 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.715 11.454 -6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.296 11.717 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.303 10.127 -7.987 1.00 0.00 H new ATOM 167 N THR A 14 -10.810 10.538 -4.026 1.00 0.00 N ATOM 168 CA THR A 14 -9.925 11.405 -3.258 1.00 0.00 C ATOM 169 C THR A 14 -8.463 11.038 -3.484 1.00 0.00 C ATOM 170 O THR A 14 -8.156 10.100 -4.221 1.00 0.00 O ATOM 171 CB THR A 14 -10.234 11.330 -1.751 1.00 0.00 C ATOM 172 OG1 THR A 14 -9.566 10.204 -1.169 1.00 0.00 O ATOM 173 CG2 THR A 14 -11.732 11.218 -1.511 1.00 0.00 C ATOM 0 H THR A 14 -10.616 9.542 -3.925 1.00 0.00 H new ATOM 0 HA THR A 14 -10.099 12.423 -3.607 1.00 0.00 H new ATOM 0 HB THR A 14 -9.875 12.246 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.766 10.164 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.926 11.166 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.234 12.091 -1.929 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.111 10.316 -1.992 1.00 0.00 H new ATOM 181 N ARG A 15 -7.565 11.783 -2.848 1.00 0.00 N ATOM 182 CA ARG A 15 -6.135 11.536 -2.981 1.00 0.00 C ATOM 183 C ARG A 15 -5.844 10.038 -3.030 1.00 0.00 C ATOM 184 O ARG A 15 -6.638 9.226 -2.556 1.00 0.00 O ATOM 185 CB ARG A 15 -5.374 12.176 -1.818 1.00 0.00 C ATOM 186 CG ARG A 15 -5.635 11.507 -0.478 1.00 0.00 C ATOM 187 CD ARG A 15 -6.686 12.259 0.324 1.00 0.00 C ATOM 188 NE ARG A 15 -6.183 13.534 0.827 1.00 0.00 N ATOM 189 CZ ARG A 15 -6.742 14.200 1.830 1.00 0.00 C ATOM 190 NH1 ARG A 15 -7.817 13.714 2.436 1.00 0.00 N ATOM 191 NH2 ARG A 15 -6.226 15.356 2.230 1.00 0.00 N ATOM 0 H ARG A 15 -7.803 12.563 -2.235 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.800 11.985 -3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.306 12.140 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.650 13.228 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.965 10.481 -0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.707 11.457 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.561 12.436 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.012 11.642 1.162 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.357 13.935 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.216 12.826 2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.244 14.228 3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.399 15.733 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.656 15.867 3.001 1.00 0.00 H new ATOM 205 N ARG A 16 -4.700 9.681 -3.606 1.00 0.00 N ATOM 206 CA ARG A 16 -4.306 8.283 -3.718 1.00 0.00 C ATOM 207 C ARG A 16 -3.231 7.937 -2.692 1.00 0.00 C ATOM 208 O ARG A 16 -2.071 8.326 -2.836 1.00 0.00 O ATOM 209 CB ARG A 16 -3.793 7.987 -5.130 1.00 0.00 C ATOM 210 CG ARG A 16 -4.396 8.885 -6.196 1.00 0.00 C ATOM 211 CD ARG A 16 -3.680 10.225 -6.267 1.00 0.00 C ATOM 212 NE ARG A 16 -4.602 11.346 -6.110 1.00 0.00 N ATOM 213 CZ ARG A 16 -4.207 12.601 -5.923 1.00 0.00 C ATOM 214 NH1 ARG A 16 -2.915 12.892 -5.871 1.00 0.00 N ATOM 215 NH2 ARG A 16 -5.107 13.568 -5.789 1.00 0.00 N ATOM 0 H ARG A 16 -4.031 10.341 -4.002 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.184 7.667 -3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.709 8.098 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.011 6.948 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.339 8.389 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.452 9.047 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.918 10.271 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.165 10.311 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.603 11.156 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.221 12.152 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.615 13.856 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.102 13.348 -5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.803 14.531 -5.645 1.00 0.00 H new ATOM 229 N VAL A 17 -3.624 7.204 -1.655 1.00 0.00 N ATOM 230 CA VAL A 17 -2.694 6.806 -0.604 1.00 0.00 C ATOM 231 C VAL A 17 -2.969 5.379 -0.140 1.00 0.00 C ATOM 232 O VAL A 17 -3.948 5.120 0.558 1.00 0.00 O ATOM 233 CB VAL A 17 -2.777 7.753 0.607 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.843 7.288 1.713 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.453 9.180 0.189 1.00 0.00 C ATOM 0 H VAL A 17 -4.580 6.874 -1.520 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.692 6.861 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.796 7.734 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.915 7.969 2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.125 6.284 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.818 7.277 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.516 9.837 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.444 9.218 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.166 9.508 -0.567 1.00 0.00 H new ATOM 245 N VAL A 18 -2.095 4.457 -0.532 1.00 0.00 N ATOM 246 CA VAL A 18 -2.242 3.056 -0.156 1.00 0.00 C ATOM 247 C VAL A 18 -1.299 2.693 0.986 1.00 0.00 C ATOM 248 O VAL A 18 -0.081 2.653 0.812 1.00 0.00 O ATOM 249 CB VAL A 18 -1.968 2.123 -1.350 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.801 2.640 -2.177 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.701 0.705 -0.866 1.00 0.00 C ATOM 0 H VAL A 18 -1.278 4.655 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.273 2.922 0.171 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.853 2.107 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.623 1.967 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.035 3.636 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.093 2.688 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.509 0.058 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.832 0.703 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.570 0.337 -0.321 1.00 0.00 H new ATOM 261 N HIS A 19 -1.871 2.429 2.157 1.00 0.00 N ATOM 262 CA HIS A 19 -1.082 2.067 3.329 1.00 0.00 C ATOM 263 C HIS A 19 -0.872 0.558 3.398 1.00 0.00 C ATOM 264 O HIS A 19 -1.829 -0.215 3.330 1.00 0.00 O ATOM 265 CB HIS A 19 -1.770 2.558 4.604 1.00 0.00 C ATOM 266 CG HIS A 19 -1.133 2.049 5.861 1.00 0.00 C ATOM 267 ND1 HIS A 19 -1.826 1.883 7.041 1.00 0.00 N ATOM 268 CD2 HIS A 19 0.141 1.669 6.117 1.00 0.00 C ATOM 269 CE1 HIS A 19 -1.007 1.424 7.969 1.00 0.00 C ATOM 270 NE2 HIS A 19 0.192 1.284 7.434 1.00 0.00 N ATOM 0 H HIS A 19 -2.878 2.459 2.319 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.107 2.547 3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.759 3.648 4.616 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.815 2.250 4.585 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -2.817 2.084 7.176 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.963 1.669 5.417 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.272 1.201 8.992 1.00 0.00 H new ATOM 278 N ILE A 20 0.383 0.146 3.534 1.00 0.00 N ATOM 279 CA ILE A 20 0.717 -1.271 3.612 1.00 0.00 C ATOM 280 C ILE A 20 1.432 -1.596 4.920 1.00 0.00 C ATOM 281 O ILE A 20 2.389 -0.922 5.300 1.00 0.00 O ATOM 282 CB ILE A 20 1.606 -1.706 2.432 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.980 -1.270 1.106 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.817 -3.213 2.456 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.888 -0.397 0.268 1.00 0.00 C ATOM 0 H ILE A 20 1.186 0.773 3.593 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.224 -1.820 3.569 1.00 0.00 H new ATOM 0 HB ILE A 20 2.578 -1.222 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.710 -2.156 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.056 -0.729 1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.447 -3.506 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.302 -3.498 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.853 -3.717 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.380 -0.126 -0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.138 0.507 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.802 -0.943 0.033 1.00 0.00 H new ATOM 297 N MET A 21 0.961 -2.634 5.603 1.00 0.00 N ATOM 298 CA MET A 21 1.557 -3.051 6.866 1.00 0.00 C ATOM 299 C MET A 21 1.867 -4.544 6.856 1.00 0.00 C ATOM 300 O MET A 21 1.386 -5.281 5.995 1.00 0.00 O ATOM 301 CB MET A 21 0.621 -2.721 8.030 1.00 0.00 C ATOM 302 CG MET A 21 -0.227 -1.481 7.796 1.00 0.00 C ATOM 303 SD MET A 21 -1.981 -1.861 7.627 1.00 0.00 S ATOM 304 CE MET A 21 -2.293 -1.291 5.957 1.00 0.00 C ATOM 0 H MET A 21 0.168 -3.202 5.303 1.00 0.00 H new ATOM 0 HA MET A 21 2.492 -2.505 6.994 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.036 -3.572 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.214 -2.580 8.934 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.088 -0.788 8.626 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.119 -0.973 6.896 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.870 -0.367 5.990 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.345 -1.109 5.452 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.854 -2.050 5.412 1.00 0.00 H new ATOM 314 N ASP A 22 2.673 -4.983 7.816 1.00 0.00 N ATOM 315 CA ASP A 22 3.046 -6.390 7.917 1.00 0.00 C ATOM 316 C ASP A 22 4.179 -6.722 6.951 1.00 0.00 C ATOM 317 O ASP A 22 4.814 -7.771 7.061 1.00 0.00 O ATOM 318 CB ASP A 22 1.836 -7.282 7.632 1.00 0.00 C ATOM 319 CG ASP A 22 1.969 -8.655 8.262 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.149 -8.726 9.496 1.00 0.00 O ATOM 321 OD2 ASP A 22 1.893 -9.657 7.522 1.00 0.00 O ATOM 0 H ASP A 22 3.081 -4.386 8.535 1.00 0.00 H new ATOM 0 HA ASP A 22 3.393 -6.577 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.935 -6.798 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.713 -7.390 6.554 1.00 0.00 H new ATOM 326 N PHE A 23 4.424 -5.823 6.004 1.00 0.00 N ATOM 327 CA PHE A 23 5.479 -6.022 5.017 1.00 0.00 C ATOM 328 C PHE A 23 6.857 -5.916 5.663 1.00 0.00 C ATOM 329 O PHE A 23 7.098 -5.038 6.492 1.00 0.00 O ATOM 330 CB PHE A 23 5.351 -4.995 3.890 1.00 0.00 C ATOM 331 CG PHE A 23 5.806 -3.617 4.280 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.155 -3.305 4.327 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.883 -2.634 4.600 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.577 -2.039 4.685 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.299 -1.365 4.959 1.00 0.00 C ATOM 336 CZ PHE A 23 6.647 -1.068 5.003 1.00 0.00 C ATOM 0 H PHE A 23 3.907 -4.950 5.899 1.00 0.00 H new ATOM 0 HA PHE A 23 5.369 -7.024 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.934 -5.333 3.033 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.311 -4.948 3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.886 -4.061 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.828 -2.861 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.632 -1.809 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.570 -0.607 5.205 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.974 -0.078 5.286 1.00 0.00 H new ATOM 346 N GLN A 24 7.755 -6.817 5.279 1.00 0.00 N ATOM 347 CA GLN A 24 9.108 -6.826 5.822 1.00 0.00 C ATOM 348 C GLN A 24 10.065 -6.062 4.913 1.00 0.00 C ATOM 349 O GLN A 24 9.649 -5.465 3.919 1.00 0.00 O ATOM 350 CB GLN A 24 9.598 -8.263 6.004 1.00 0.00 C ATOM 351 CG GLN A 24 8.841 -9.033 7.075 1.00 0.00 C ATOM 352 CD GLN A 24 9.230 -8.615 8.479 1.00 0.00 C ATOM 353 OE1 GLN A 24 10.311 -8.953 8.962 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.348 -7.877 9.143 1.00 0.00 N ATOM 0 H GLN A 24 7.570 -7.550 4.594 1.00 0.00 H new ATOM 0 HA GLN A 24 9.085 -6.331 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.507 -8.792 5.055 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.657 -8.247 6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.770 -8.881 6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.030 -10.099 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.464 -7.620 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.554 -7.567 10.093 1.00 0.00 H new ATOM 363 N ARG A 25 11.348 -6.084 5.259 1.00 0.00 N ATOM 364 CA ARG A 25 12.363 -5.392 4.475 1.00 0.00 C ATOM 365 C ARG A 25 13.533 -6.320 4.159 1.00 0.00 C ATOM 366 O ARG A 25 13.694 -7.367 4.785 1.00 0.00 O ATOM 367 CB ARG A 25 12.866 -4.158 5.226 1.00 0.00 C ATOM 368 CG ARG A 25 11.753 -3.238 5.702 1.00 0.00 C ATOM 369 CD ARG A 25 12.169 -1.778 5.632 1.00 0.00 C ATOM 370 NE ARG A 25 12.341 -1.195 6.960 1.00 0.00 N ATOM 371 CZ ARG A 25 13.434 -1.354 7.698 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.448 -2.075 7.239 1.00 0.00 N ATOM 373 NH2 ARG A 25 13.515 -0.791 8.897 1.00 0.00 N ATOM 0 H ARG A 25 11.709 -6.574 6.078 1.00 0.00 H new ATOM 0 HA ARG A 25 11.907 -5.077 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.452 -4.481 6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.537 -3.596 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.864 -3.394 5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.483 -3.492 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.102 -1.693 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.417 -1.212 5.082 1.00 0.00 H new ATOM 0 HE ARG A 25 11.579 -0.634 7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.390 -2.509 6.318 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.286 -2.196 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.737 -0.235 9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.355 -0.914 9.462 1.00 0.00 H new ATOM 387 N GLY A 26 14.347 -5.927 3.183 1.00 0.00 N ATOM 388 CA GLY A 26 15.490 -6.735 2.801 1.00 0.00 C ATOM 389 C GLY A 26 16.462 -5.982 1.916 1.00 0.00 C ATOM 390 O GLY A 26 17.331 -5.261 2.408 1.00 0.00 O ATOM 0 H GLY A 26 14.235 -5.064 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.008 -7.074 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.143 -7.626 2.278 1.00 0.00 H new ATOM 394 N LYS A 27 16.320 -6.151 0.606 1.00 0.00 N ATOM 395 CA LYS A 27 17.192 -5.481 -0.352 1.00 0.00 C ATOM 396 C LYS A 27 16.377 -4.713 -1.386 1.00 0.00 C ATOM 397 O LYS A 27 16.466 -3.489 -1.477 1.00 0.00 O ATOM 398 CB LYS A 27 18.092 -6.502 -1.052 1.00 0.00 C ATOM 399 CG LYS A 27 19.095 -5.876 -2.005 1.00 0.00 C ATOM 400 CD LYS A 27 20.391 -6.666 -2.050 1.00 0.00 C ATOM 401 CE LYS A 27 20.666 -7.208 -3.445 1.00 0.00 C ATOM 402 NZ LYS A 27 22.068 -7.688 -3.587 1.00 0.00 N ATOM 0 H LYS A 27 15.609 -6.747 0.183 1.00 0.00 H new ATOM 0 HA LYS A 27 17.813 -4.771 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.630 -7.077 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.469 -7.205 -1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.665 -5.825 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.303 -4.852 -1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 27 21.218 -6.029 -1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.339 -7.492 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.979 -8.026 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.473 -6.429 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.215 -8.049 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 22.724 -6.901 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 22.245 -8.449 -2.901 1.00 0.00 H new ATOM 416 N ASN A 28 15.579 -5.439 -2.164 1.00 0.00 N ATOM 417 CA ASN A 28 14.747 -4.825 -3.192 1.00 0.00 C ATOM 418 C ASN A 28 13.311 -4.663 -2.703 1.00 0.00 C ATOM 419 O ASN A 28 12.363 -4.765 -3.482 1.00 0.00 O ATOM 420 CB ASN A 28 14.771 -5.669 -4.468 1.00 0.00 C ATOM 421 CG ASN A 28 16.176 -5.879 -4.996 1.00 0.00 C ATOM 422 OD1 ASN A 28 17.099 -5.141 -4.650 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.347 -6.891 -5.840 1.00 0.00 N ATOM 0 H ASN A 28 15.492 -6.453 -2.101 1.00 0.00 H new ATOM 0 HA ASN A 28 15.152 -3.837 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.312 -6.637 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.167 -5.182 -5.234 1.00 0.00 H new ATOM 0 HD21 ASN A 28 17.271 -7.081 -6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.554 -7.478 -6.100 1.00 0.00 H new ATOM 430 N LEU A 29 13.158 -4.406 -1.408 1.00 0.00 N ATOM 431 CA LEU A 29 11.838 -4.228 -0.814 1.00 0.00 C ATOM 432 C LEU A 29 11.071 -3.112 -1.517 1.00 0.00 C ATOM 433 O LEU A 29 9.972 -3.328 -2.029 1.00 0.00 O ATOM 434 CB LEU A 29 11.966 -3.914 0.678 1.00 0.00 C ATOM 435 CG LEU A 29 10.661 -3.610 1.414 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.271 -2.151 1.229 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.548 -4.527 0.928 1.00 0.00 C ATOM 0 H LEU A 29 13.932 -4.316 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 29 11.283 -5.158 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.447 -4.761 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.632 -3.059 0.793 1.00 0.00 H new ATOM 0 HG LEU A 29 10.816 -3.792 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.340 -1.953 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.058 -1.511 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.135 -1.942 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.627 -4.296 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.394 -4.378 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.825 -5.565 1.113 1.00 0.00 H new ATOM 449 N ARG A 30 11.658 -1.920 -1.539 1.00 0.00 N ATOM 450 CA ARG A 30 11.030 -0.771 -2.179 1.00 0.00 C ATOM 451 C ARG A 30 10.326 -1.185 -3.468 1.00 0.00 C ATOM 452 O ARG A 30 9.348 -0.560 -3.881 1.00 0.00 O ATOM 453 CB ARG A 30 12.075 0.306 -2.479 1.00 0.00 C ATOM 454 CG ARG A 30 11.474 1.650 -2.856 1.00 0.00 C ATOM 455 CD ARG A 30 12.548 2.710 -3.038 1.00 0.00 C ATOM 456 NE ARG A 30 13.637 2.556 -2.077 1.00 0.00 N ATOM 457 CZ ARG A 30 14.670 1.741 -2.260 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.754 1.012 -3.364 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.621 1.657 -1.339 1.00 0.00 N ATOM 0 H ARG A 30 12.568 -1.725 -1.121 1.00 0.00 H new ATOM 0 HA ARG A 30 10.286 -0.365 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.713 0.435 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.715 -0.037 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.902 1.548 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.776 1.967 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.947 2.652 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.104 3.699 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 30 13.602 3.105 -1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.025 1.076 -4.074 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.548 0.387 -3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.559 2.218 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.414 1.031 -1.480 1.00 0.00 H new ATOM 473 N TYR A 31 10.827 -2.240 -4.098 1.00 0.00 N ATOM 474 CA TYR A 31 10.247 -2.737 -5.340 1.00 0.00 C ATOM 475 C TYR A 31 9.075 -3.671 -5.060 1.00 0.00 C ATOM 476 O TYR A 31 8.038 -3.597 -5.719 1.00 0.00 O ATOM 477 CB TYR A 31 11.308 -3.464 -6.168 1.00 0.00 C ATOM 478 CG TYR A 31 10.735 -4.489 -7.120 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.238 -4.111 -8.361 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.691 -5.835 -6.779 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.713 -5.044 -9.235 1.00 0.00 C ATOM 482 CE2 TYR A 31 10.168 -6.775 -7.647 1.00 0.00 C ATOM 483 CZ TYR A 31 9.680 -6.374 -8.873 1.00 0.00 C ATOM 484 OH TYR A 31 9.159 -7.307 -9.740 1.00 0.00 O ATOM 0 H TYR A 31 11.635 -2.769 -3.769 1.00 0.00 H new ATOM 0 HA TYR A 31 9.878 -1.882 -5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.878 -2.730 -6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.008 -3.958 -5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.262 -3.070 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.072 -6.152 -5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.331 -4.733 -10.196 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.142 -7.818 -7.367 1.00 0.00 H new ATOM 0 HH TYR A 31 9.211 -8.197 -9.333 1.00 0.00 H new ATOM 494 N GLN A 32 9.248 -4.549 -4.077 1.00 0.00 N ATOM 495 CA GLN A 32 8.204 -5.498 -3.709 1.00 0.00 C ATOM 496 C GLN A 32 6.887 -4.780 -3.434 1.00 0.00 C ATOM 497 O GLN A 32 5.850 -5.125 -4.001 1.00 0.00 O ATOM 498 CB GLN A 32 8.628 -6.302 -2.478 1.00 0.00 C ATOM 499 CG GLN A 32 9.909 -7.094 -2.680 1.00 0.00 C ATOM 500 CD GLN A 32 9.650 -8.529 -3.092 1.00 0.00 C ATOM 501 OE1 GLN A 32 8.599 -9.095 -2.785 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.607 -9.127 -3.790 1.00 0.00 N ATOM 0 H GLN A 32 10.100 -4.623 -3.522 1.00 0.00 H new ATOM 0 HA GLN A 32 8.056 -6.180 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.761 -5.621 -1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.825 -6.988 -2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.517 -6.606 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.487 -7.084 -1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.461 -8.620 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.488 -10.093 -4.094 1.00 0.00 H new ATOM 511 N LEU A 33 6.936 -3.780 -2.560 1.00 0.00 N ATOM 512 CA LEU A 33 5.746 -3.013 -2.209 1.00 0.00 C ATOM 513 C LEU A 33 5.162 -2.321 -3.437 1.00 0.00 C ATOM 514 O LEU A 33 3.986 -2.495 -3.760 1.00 0.00 O ATOM 515 CB LEU A 33 6.083 -1.974 -1.137 1.00 0.00 C ATOM 516 CG LEU A 33 6.401 -2.525 0.253 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.859 -1.407 1.178 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.188 -3.237 0.835 1.00 0.00 C ATOM 0 H LEU A 33 7.786 -3.482 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 33 5.001 -3.705 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.938 -1.392 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.243 -1.285 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 33 7.212 -3.248 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.081 -1.818 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.755 -0.941 0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.069 -0.661 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.433 -3.623 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.358 -2.535 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.904 -4.063 0.184 1.00 0.00 H new ATOM 530 N LEU A 34 5.991 -1.538 -4.118 1.00 0.00 N ATOM 531 CA LEU A 34 5.558 -0.822 -5.314 1.00 0.00 C ATOM 532 C LEU A 34 4.941 -1.779 -6.329 1.00 0.00 C ATOM 533 O LEU A 34 4.005 -1.422 -7.043 1.00 0.00 O ATOM 534 CB LEU A 34 6.739 -0.082 -5.944 1.00 0.00 C ATOM 535 CG LEU A 34 7.247 1.143 -5.184 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.614 1.563 -5.702 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.255 2.292 -5.300 1.00 0.00 C ATOM 0 H LEU A 34 6.966 -1.382 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 34 4.799 -0.097 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.565 -0.785 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.452 0.232 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 34 7.345 0.879 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.960 2.437 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.321 0.745 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.542 1.809 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.633 3.156 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.125 2.556 -6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.296 1.988 -4.881 1.00 0.00 H new ATOM 549 N GLN A 35 5.471 -2.997 -6.384 1.00 0.00 N ATOM 550 CA GLN A 35 4.971 -4.006 -7.310 1.00 0.00 C ATOM 551 C GLN A 35 3.500 -4.306 -7.046 1.00 0.00 C ATOM 552 O GLN A 35 2.835 -4.963 -7.848 1.00 0.00 O ATOM 553 CB GLN A 35 5.794 -5.289 -7.194 1.00 0.00 C ATOM 554 CG GLN A 35 7.032 -5.300 -8.078 1.00 0.00 C ATOM 555 CD GLN A 35 6.758 -4.767 -9.470 1.00 0.00 C ATOM 556 OE1 GLN A 35 7.345 -3.769 -9.891 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.864 -5.430 -10.194 1.00 0.00 N ATOM 0 H GLN A 35 6.246 -3.309 -5.799 1.00 0.00 H new ATOM 0 HA GLN A 35 5.067 -3.612 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.098 -5.423 -6.156 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.164 -6.140 -7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.813 -4.701 -7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.413 -6.319 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.402 -6.252 -9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.640 -5.117 -11.139 1.00 0.00 H new ATOM 566 N LEU A 36 2.996 -3.821 -5.916 1.00 0.00 N ATOM 567 CA LEU A 36 1.602 -4.039 -5.545 1.00 0.00 C ATOM 568 C LEU A 36 0.701 -2.976 -6.166 1.00 0.00 C ATOM 569 O LEU A 36 -0.518 -3.139 -6.226 1.00 0.00 O ATOM 570 CB LEU A 36 1.451 -4.025 -4.023 1.00 0.00 C ATOM 571 CG LEU A 36 2.283 -5.054 -3.257 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.296 -4.730 -1.771 1.00 0.00 C ATOM 573 CD2 LEU A 36 1.744 -6.458 -3.492 1.00 0.00 C ATOM 0 H LEU A 36 3.532 -3.275 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 36 1.298 -5.014 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.715 -3.031 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.400 -4.184 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 36 3.307 -5.012 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.893 -5.473 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.728 -3.741 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.276 -4.743 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.348 -7.177 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.711 -6.513 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.786 -6.691 -4.556 1.00 0.00 H new ATOM 585 N VAL A 37 1.310 -1.889 -6.630 1.00 0.00 N ATOM 586 CA VAL A 37 0.563 -0.802 -7.250 1.00 0.00 C ATOM 587 C VAL A 37 1.126 -0.465 -8.627 1.00 0.00 C ATOM 588 O VAL A 37 0.518 0.287 -9.389 1.00 0.00 O ATOM 589 CB VAL A 37 0.586 0.466 -6.375 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.172 0.136 -4.949 1.00 0.00 C ATOM 591 CG2 VAL A 37 1.964 1.109 -6.403 1.00 0.00 C ATOM 0 H VAL A 37 2.318 -1.738 -6.588 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.467 -1.144 -7.354 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.130 1.180 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.194 1.043 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.837 -0.276 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.862 -0.596 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.961 2.003 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.703 0.403 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.217 1.382 -7.427 1.00 0.00 H new ATOM 601 N GLU A 38 2.289 -1.026 -8.939 1.00 0.00 N ATOM 602 CA GLU A 38 2.933 -0.784 -10.224 1.00 0.00 C ATOM 603 C GLU A 38 2.043 -1.244 -11.375 1.00 0.00 C ATOM 604 O GLU A 38 1.653 -0.462 -12.242 1.00 0.00 O ATOM 605 CB GLU A 38 4.281 -1.507 -10.288 1.00 0.00 C ATOM 606 CG GLU A 38 5.463 -0.573 -10.490 1.00 0.00 C ATOM 607 CD GLU A 38 6.158 -0.791 -11.819 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.487 -1.238 -12.773 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.372 -0.514 -11.907 1.00 0.00 O ATOM 0 H GLU A 38 2.805 -1.651 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 38 3.098 0.289 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.426 -2.069 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.257 -2.231 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.120 0.460 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.179 -0.719 -9.681 1.00 0.00 H new ATOM 616 N PRO A 39 1.711 -2.543 -11.382 1.00 0.00 N ATOM 617 CA PRO A 39 0.862 -3.137 -12.420 1.00 0.00 C ATOM 618 C PRO A 39 -0.585 -2.669 -12.324 1.00 0.00 C ATOM 619 O PRO A 39 -1.436 -3.079 -13.113 1.00 0.00 O ATOM 620 CB PRO A 39 0.958 -4.640 -12.139 1.00 0.00 C ATOM 621 CG PRO A 39 1.287 -4.734 -10.689 1.00 0.00 C ATOM 622 CD PRO A 39 2.139 -3.534 -10.379 1.00 0.00 C ATOM 0 HA PRO A 39 1.185 -2.855 -13.422 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.019 -5.146 -12.366 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.729 -5.109 -12.751 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.381 -4.737 -10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.820 -5.659 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.973 -3.175 -9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.201 -3.762 -10.467 1.00 0.00 H new ATOM 630 N PHE A 40 -0.859 -1.805 -11.351 1.00 0.00 N ATOM 631 CA PHE A 40 -2.205 -1.280 -11.150 1.00 0.00 C ATOM 632 C PHE A 40 -2.311 0.153 -11.660 1.00 0.00 C ATOM 633 O PHE A 40 -3.389 0.612 -12.036 1.00 0.00 O ATOM 634 CB PHE A 40 -2.581 -1.335 -9.669 1.00 0.00 C ATOM 635 CG PHE A 40 -2.758 -2.732 -9.146 1.00 0.00 C ATOM 636 CD1 PHE A 40 -3.970 -3.389 -9.284 1.00 0.00 C ATOM 637 CD2 PHE A 40 -1.713 -3.389 -8.516 1.00 0.00 C ATOM 638 CE1 PHE A 40 -4.137 -4.675 -8.804 1.00 0.00 C ATOM 639 CE2 PHE A 40 -1.873 -4.674 -8.035 1.00 0.00 C ATOM 640 CZ PHE A 40 -3.086 -5.318 -8.178 1.00 0.00 C ATOM 0 H PHE A 40 -0.167 -1.454 -10.690 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.899 -1.901 -11.717 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.808 -0.833 -9.087 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.506 -0.779 -9.516 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.794 -2.891 -9.772 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.762 -2.890 -8.400 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.087 -5.176 -8.918 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.050 -5.175 -7.547 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.213 -6.322 -7.801 1.00 0.00 H new ATOM 650 N GLY A 41 -1.183 0.857 -11.672 1.00 0.00 N ATOM 651 CA GLY A 41 -1.170 2.231 -12.137 1.00 0.00 C ATOM 652 C GLY A 41 0.226 2.821 -12.164 1.00 0.00 C ATOM 653 O GLY A 41 1.210 2.099 -12.328 1.00 0.00 O ATOM 0 H GLY A 41 -0.278 0.499 -11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.600 2.277 -13.138 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.804 2.836 -11.490 1.00 0.00 H new ATOM 657 N VAL A 42 0.314 4.138 -12.004 1.00 0.00 N ATOM 658 CA VAL A 42 1.600 4.824 -12.012 1.00 0.00 C ATOM 659 C VAL A 42 2.016 5.225 -10.601 1.00 0.00 C ATOM 660 O VAL A 42 1.174 5.410 -9.722 1.00 0.00 O ATOM 661 CB VAL A 42 1.559 6.083 -12.899 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.219 6.789 -12.765 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.703 7.021 -12.546 1.00 0.00 C ATOM 0 H VAL A 42 -0.490 4.751 -11.867 1.00 0.00 H new ATOM 0 HA VAL A 42 2.330 4.125 -12.420 1.00 0.00 H new ATOM 0 HB VAL A 42 1.678 5.777 -13.938 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.210 7.676 -13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.580 6.114 -13.073 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.065 7.084 -11.727 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.658 7.905 -13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.618 7.321 -11.502 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.653 6.510 -12.701 1.00 0.00 H new ATOM 673 N ILE A 43 3.322 5.357 -10.392 1.00 0.00 N ATOM 674 CA ILE A 43 3.851 5.738 -9.088 1.00 0.00 C ATOM 675 C ILE A 43 4.141 7.234 -9.026 1.00 0.00 C ATOM 676 O ILE A 43 4.847 7.775 -9.877 1.00 0.00 O ATOM 677 CB ILE A 43 5.140 4.964 -8.755 1.00 0.00 C ATOM 678 CG1 ILE A 43 4.958 3.475 -9.055 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.522 5.172 -7.297 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.034 2.771 -8.087 1.00 0.00 C ATOM 0 H ILE A 43 4.032 5.206 -11.108 1.00 0.00 H new ATOM 0 HA ILE A 43 3.086 5.488 -8.353 1.00 0.00 H new ATOM 0 HB ILE A 43 5.947 5.346 -9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.566 3.362 -10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.932 2.987 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.435 4.618 -7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.688 6.233 -7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.717 4.813 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.953 1.719 -8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.435 2.853 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.048 3.233 -8.124 1.00 0.00 H new ATOM 692 N SER A 44 3.591 7.896 -8.014 1.00 0.00 N ATOM 693 CA SER A 44 3.788 9.332 -7.842 1.00 0.00 C ATOM 694 C SER A 44 4.808 9.612 -6.743 1.00 0.00 C ATOM 695 O SER A 44 5.718 10.422 -6.917 1.00 0.00 O ATOM 696 CB SER A 44 2.459 10.014 -7.507 1.00 0.00 C ATOM 697 OG SER A 44 2.003 10.801 -8.594 1.00 0.00 O ATOM 0 H SER A 44 3.005 7.462 -7.300 1.00 0.00 H new ATOM 0 HA SER A 44 4.170 9.737 -8.779 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.711 9.260 -7.261 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.581 10.642 -6.625 1.00 0.00 H new ATOM 0 HG SER A 44 1.152 11.225 -8.357 1.00 0.00 H new ATOM 703 N ASN A 45 4.649 8.936 -5.610 1.00 0.00 N ATOM 704 CA ASN A 45 5.555 9.112 -4.480 1.00 0.00 C ATOM 705 C ASN A 45 5.222 8.134 -3.358 1.00 0.00 C ATOM 706 O ASN A 45 4.076 8.045 -2.917 1.00 0.00 O ATOM 707 CB ASN A 45 5.480 10.548 -3.959 1.00 0.00 C ATOM 708 CG ASN A 45 6.597 11.419 -4.501 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.772 11.063 -4.417 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.233 12.567 -5.060 1.00 0.00 N ATOM 0 H ASN A 45 3.901 8.261 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 45 6.569 8.910 -4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.519 10.982 -4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.526 10.539 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.940 13.195 -5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.246 12.821 -5.107 1.00 0.00 H new ATOM 717 N HIS A 46 6.232 7.400 -2.901 1.00 0.00 N ATOM 718 CA HIS A 46 6.048 6.429 -1.828 1.00 0.00 C ATOM 719 C HIS A 46 6.851 6.824 -0.593 1.00 0.00 C ATOM 720 O HIS A 46 7.775 7.634 -0.673 1.00 0.00 O ATOM 721 CB HIS A 46 6.464 5.034 -2.298 1.00 0.00 C ATOM 722 CG HIS A 46 7.870 4.971 -2.810 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.300 5.669 -3.918 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.946 4.285 -2.357 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.580 5.415 -4.126 1.00 0.00 C ATOM 726 NE2 HIS A 46 9.996 4.578 -3.192 1.00 0.00 N ATOM 0 H HIS A 46 7.186 7.459 -3.257 1.00 0.00 H new ATOM 0 HA HIS A 46 4.991 6.415 -1.562 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.355 4.333 -1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.784 4.706 -3.085 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.721 6.285 -4.488 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.973 3.630 -1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.183 5.822 -4.924 1.00 0.00 H new ATOM 734 N LEU A 47 6.494 6.247 0.549 1.00 0.00 N ATOM 735 CA LEU A 47 7.181 6.538 1.802 1.00 0.00 C ATOM 736 C LEU A 47 7.295 5.285 2.665 1.00 0.00 C ATOM 737 O LEU A 47 6.290 4.670 3.019 1.00 0.00 O ATOM 738 CB LEU A 47 6.439 7.634 2.570 1.00 0.00 C ATOM 739 CG LEU A 47 6.977 7.957 3.964 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.448 9.301 4.442 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.605 6.856 4.948 1.00 0.00 C ATOM 0 H LEU A 47 5.732 5.574 0.633 1.00 0.00 H new ATOM 0 HA LEU A 47 8.186 6.885 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.460 8.546 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.394 7.340 2.665 1.00 0.00 H new ATOM 0 HG LEU A 47 8.064 8.016 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.841 9.514 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.764 10.083 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.359 9.270 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.996 7.103 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.520 6.766 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.032 5.910 4.614 1.00 0.00 H new ATOM 753 N ILE A 48 8.527 4.915 2.998 1.00 0.00 N ATOM 754 CA ILE A 48 8.772 3.738 3.822 1.00 0.00 C ATOM 755 C ILE A 48 9.563 4.098 5.075 1.00 0.00 C ATOM 756 O ILE A 48 10.733 4.478 4.997 1.00 0.00 O ATOM 757 CB ILE A 48 9.538 2.654 3.041 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.146 2.688 1.562 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.264 1.280 3.635 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.806 1.606 0.737 1.00 0.00 C ATOM 0 H ILE A 48 9.370 5.412 2.710 1.00 0.00 H new ATOM 0 HA ILE A 48 7.796 3.347 4.111 1.00 0.00 H new ATOM 0 HB ILE A 48 10.606 2.856 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.064 2.588 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.409 3.661 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.812 0.524 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.587 1.263 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.196 1.067 3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.482 1.691 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.889 1.718 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.523 0.628 1.126 1.00 0.00 H new ATOM 772 N LEU A 49 8.918 3.977 6.230 1.00 0.00 N ATOM 773 CA LEU A 49 9.562 4.288 7.502 1.00 0.00 C ATOM 774 C LEU A 49 10.424 3.122 7.977 1.00 0.00 C ATOM 775 O LEU A 49 10.038 1.961 7.848 1.00 0.00 O ATOM 776 CB LEU A 49 8.509 4.622 8.560 1.00 0.00 C ATOM 777 CG LEU A 49 7.377 5.547 8.112 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.093 5.222 8.860 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.765 7.004 8.323 1.00 0.00 C ATOM 0 H LEU A 49 7.950 3.666 6.312 1.00 0.00 H new ATOM 0 HA LEU A 49 10.207 5.154 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.070 3.689 8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.011 5.081 9.411 1.00 0.00 H new ATOM 0 HG LEU A 49 7.203 5.388 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.299 5.891 8.528 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.806 4.190 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.253 5.352 9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.948 7.649 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.967 7.177 9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.659 7.230 7.741 1.00 0.00 H new ATOM 791 N ASN A 50 11.590 3.441 8.528 1.00 0.00 N ATOM 792 CA ASN A 50 12.506 2.420 9.022 1.00 0.00 C ATOM 793 C ASN A 50 12.174 2.044 10.464 1.00 0.00 C ATOM 794 O ASN A 50 12.621 1.014 10.967 1.00 0.00 O ATOM 795 CB ASN A 50 13.951 2.914 8.933 1.00 0.00 C ATOM 796 CG ASN A 50 14.550 2.702 7.556 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.915 2.987 6.540 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.779 2.200 7.516 1.00 0.00 N ATOM 0 H ASN A 50 11.923 4.398 8.644 1.00 0.00 H new ATOM 0 HA ASN A 50 12.393 1.534 8.398 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.986 3.975 9.182 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.557 2.393 9.674 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.234 2.036 6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.268 1.978 8.383 1.00 0.00 H new ATOM 805 N LYS A 51 11.385 2.887 11.122 1.00 0.00 N ATOM 806 CA LYS A 51 10.991 2.644 12.504 1.00 0.00 C ATOM 807 C LYS A 51 10.150 1.376 12.615 1.00 0.00 C ATOM 808 O LYS A 51 10.434 0.502 13.435 1.00 0.00 O ATOM 809 CB LYS A 51 10.205 3.839 13.050 1.00 0.00 C ATOM 810 CG LYS A 51 11.086 4.945 13.603 1.00 0.00 C ATOM 811 CD LYS A 51 11.244 4.832 15.110 1.00 0.00 C ATOM 812 CE LYS A 51 10.970 6.160 15.800 1.00 0.00 C ATOM 813 NZ LYS A 51 11.174 6.072 17.273 1.00 0.00 N ATOM 0 H LYS A 51 11.006 3.744 10.720 1.00 0.00 H new ATOM 0 HA LYS A 51 11.897 2.512 13.096 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.581 4.247 12.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.534 3.493 13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.067 4.901 13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.654 5.914 13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.561 4.074 15.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.254 4.499 15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.627 6.926 15.387 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.946 6.472 15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.977 6.997 17.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.530 5.359 17.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.158 5.799 17.472 1.00 0.00 H new ATOM 827 N ILE A 52 9.116 1.282 11.786 1.00 0.00 N ATOM 828 CA ILE A 52 8.236 0.121 11.790 1.00 0.00 C ATOM 829 C ILE A 52 7.980 -0.379 10.373 1.00 0.00 C ATOM 830 O ILE A 52 8.658 0.023 9.429 1.00 0.00 O ATOM 831 CB ILE A 52 6.888 0.437 12.464 1.00 0.00 C ATOM 832 CG1 ILE A 52 5.994 1.235 11.513 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.110 1.204 13.760 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.572 2.577 11.122 1.00 0.00 C ATOM 0 H ILE A 52 8.867 1.997 11.102 1.00 0.00 H new ATOM 0 HA ILE A 52 8.743 -0.657 12.361 1.00 0.00 H new ATOM 0 HB ILE A 52 6.388 -0.502 12.702 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.820 0.647 10.612 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.023 1.390 11.984 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.148 1.420 14.224 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.714 0.603 14.440 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.627 2.139 13.545 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.884 3.087 10.447 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.720 3.184 12.015 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.529 2.429 10.621 1.00 0.00 H new ATOM 846 N ASN A 53 6.993 -1.259 10.232 1.00 0.00 N ATOM 847 CA ASN A 53 6.644 -1.813 8.928 1.00 0.00 C ATOM 848 C ASN A 53 5.439 -1.091 8.335 1.00 0.00 C ATOM 849 O ASN A 53 4.460 -1.722 7.935 1.00 0.00 O ATOM 850 CB ASN A 53 6.348 -3.309 9.050 1.00 0.00 C ATOM 851 CG ASN A 53 7.571 -4.110 9.452 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.705 -3.667 9.268 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.347 -5.298 10.001 1.00 0.00 N ATOM 0 H ASN A 53 6.422 -1.603 11.004 1.00 0.00 H new ATOM 0 HA ASN A 53 7.494 -1.671 8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.559 -3.461 9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.971 -3.681 8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.132 -5.883 10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.390 -5.626 10.135 1.00 0.00 H new ATOM 860 N GLU A 54 5.517 0.235 8.282 1.00 0.00 N ATOM 861 CA GLU A 54 4.432 1.042 7.738 1.00 0.00 C ATOM 862 C GLU A 54 4.901 1.837 6.522 1.00 0.00 C ATOM 863 O GLU A 54 5.893 2.563 6.587 1.00 0.00 O ATOM 864 CB GLU A 54 3.890 1.995 8.806 1.00 0.00 C ATOM 865 CG GLU A 54 2.858 1.359 9.721 1.00 0.00 C ATOM 866 CD GLU A 54 1.817 2.350 10.205 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.080 3.569 10.133 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.740 1.907 10.656 1.00 0.00 O ATOM 0 H GLU A 54 6.320 0.772 8.609 1.00 0.00 H new ATOM 0 HA GLU A 54 3.635 0.368 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.721 2.362 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.445 2.861 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.361 0.545 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.363 0.919 10.581 1.00 0.00 H new ATOM 875 N ALA A 55 4.182 1.693 5.414 1.00 0.00 N ATOM 876 CA ALA A 55 4.523 2.398 4.185 1.00 0.00 C ATOM 877 C ALA A 55 3.277 2.962 3.512 1.00 0.00 C ATOM 878 O ALA A 55 2.163 2.497 3.755 1.00 0.00 O ATOM 879 CB ALA A 55 5.265 1.471 3.234 1.00 0.00 C ATOM 0 H ALA A 55 3.359 1.094 5.342 1.00 0.00 H new ATOM 0 HA ALA A 55 5.174 3.233 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.514 2.010 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.181 1.120 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.633 0.617 2.991 1.00 0.00 H new ATOM 885 N PHE A 56 3.472 3.968 2.665 1.00 0.00 N ATOM 886 CA PHE A 56 2.362 4.597 1.957 1.00 0.00 C ATOM 887 C PHE A 56 2.762 4.956 0.529 1.00 0.00 C ATOM 888 O PHE A 56 3.614 5.817 0.310 1.00 0.00 O ATOM 889 CB PHE A 56 1.902 5.852 2.701 1.00 0.00 C ATOM 890 CG PHE A 56 1.841 5.678 4.191 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.836 4.922 4.774 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.788 6.270 5.011 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.777 4.759 6.145 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.735 6.110 6.383 1.00 0.00 C ATOM 895 CZ PHE A 56 1.728 5.355 6.951 1.00 0.00 C ATOM 0 H PHE A 56 4.387 4.365 2.452 1.00 0.00 H new ATOM 0 HA PHE A 56 1.538 3.884 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.580 6.672 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.916 6.140 2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.090 4.454 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.577 6.863 4.573 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.011 4.167 6.586 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.481 6.575 7.010 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.684 5.231 8.023 1.00 0.00 H new ATOM 905 N ILE A 57 2.141 4.289 -0.438 1.00 0.00 N ATOM 906 CA ILE A 57 2.430 4.538 -1.845 1.00 0.00 C ATOM 907 C ILE A 57 1.369 5.433 -2.475 1.00 0.00 C ATOM 908 O ILE A 57 0.201 5.057 -2.563 1.00 0.00 O ATOM 909 CB ILE A 57 2.517 3.224 -2.643 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.736 2.412 -2.199 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.581 3.513 -4.135 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.692 0.965 -2.640 1.00 0.00 C ATOM 0 H ILE A 57 1.435 3.572 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 57 3.396 5.042 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 57 1.621 2.636 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.637 2.878 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.812 2.450 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.642 2.574 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.685 4.054 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.462 4.118 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.587 0.451 -2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.809 0.483 -2.220 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.648 0.917 -3.728 1.00 0.00 H new ATOM 924 N GLU A 58 1.785 6.618 -2.912 1.00 0.00 N ATOM 925 CA GLU A 58 0.869 7.566 -3.535 1.00 0.00 C ATOM 926 C GLU A 58 0.872 7.408 -5.053 1.00 0.00 C ATOM 927 O GLU A 58 1.916 7.520 -5.696 1.00 0.00 O ATOM 928 CB GLU A 58 1.250 8.999 -3.159 1.00 0.00 C ATOM 929 CG GLU A 58 0.278 10.044 -3.681 1.00 0.00 C ATOM 930 CD GLU A 58 0.852 11.447 -3.638 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.879 11.647 -2.958 1.00 0.00 O ATOM 932 OE2 GLU A 58 0.273 12.345 -4.286 1.00 0.00 O ATOM 0 H GLU A 58 2.749 6.944 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.136 7.357 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.307 9.078 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.246 9.215 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.003 9.799 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.637 10.011 -3.090 1.00 0.00 H new ATOM 939 N MET A 59 -0.302 7.148 -5.617 1.00 0.00 N ATOM 940 CA MET A 59 -0.435 6.976 -7.060 1.00 0.00 C ATOM 941 C MET A 59 -0.813 8.292 -7.732 1.00 0.00 C ATOM 942 O MET A 59 -1.205 9.249 -7.066 1.00 0.00 O ATOM 943 CB MET A 59 -1.485 5.909 -7.373 1.00 0.00 C ATOM 944 CG MET A 59 -1.207 4.569 -6.710 1.00 0.00 C ATOM 945 SD MET A 59 0.219 3.725 -7.419 1.00 0.00 S ATOM 946 CE MET A 59 -0.503 3.029 -8.903 1.00 0.00 C ATOM 0 H MET A 59 -1.175 7.052 -5.098 1.00 0.00 H new ATOM 0 HA MET A 59 0.529 6.652 -7.453 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.463 6.268 -7.052 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.536 5.767 -8.453 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.040 4.723 -5.644 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.086 3.932 -6.806 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.283 2.597 -9.522 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.218 2.253 -8.630 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.015 3.813 -9.461 1.00 0.00 H new ATOM 956 N ALA A 60 -0.694 8.331 -9.054 1.00 0.00 N ATOM 957 CA ALA A 60 -1.026 9.529 -9.817 1.00 0.00 C ATOM 958 C ALA A 60 -2.534 9.670 -9.987 1.00 0.00 C ATOM 959 O ALA A 60 -3.050 10.776 -10.155 1.00 0.00 O ATOM 960 CB ALA A 60 -0.340 9.497 -11.174 1.00 0.00 C ATOM 0 H ALA A 60 -0.370 7.547 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.667 10.395 -9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.597 10.397 -11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.740 9.452 -11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.671 8.619 -11.729 1.00 0.00 H new ATOM 966 N THR A 61 -3.239 8.544 -9.944 1.00 0.00 N ATOM 967 CA THR A 61 -4.688 8.543 -10.096 1.00 0.00 C ATOM 968 C THR A 61 -5.343 7.573 -9.118 1.00 0.00 C ATOM 969 O THR A 61 -5.042 6.379 -9.115 1.00 0.00 O ATOM 970 CB THR A 61 -5.103 8.164 -11.531 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.645 6.843 -11.841 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.534 9.152 -12.537 1.00 0.00 C ATOM 0 H THR A 61 -2.829 7.620 -9.805 1.00 0.00 H new ATOM 0 HA THR A 61 -5.028 9.556 -9.883 1.00 0.00 H new ATOM 0 HB THR A 61 -6.191 8.194 -11.591 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.827 6.653 -11.336 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.840 8.864 -13.543 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.908 10.152 -12.316 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.446 9.149 -12.474 1.00 0.00 H new ATOM 980 N THR A 62 -6.240 8.094 -8.287 1.00 0.00 N ATOM 981 CA THR A 62 -6.937 7.275 -7.304 1.00 0.00 C ATOM 982 C THR A 62 -7.360 5.938 -7.902 1.00 0.00 C ATOM 983 O THR A 62 -7.203 4.890 -7.277 1.00 0.00 O ATOM 984 CB THR A 62 -8.182 7.995 -6.753 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.143 7.035 -6.299 1.00 0.00 O ATOM 986 CG2 THR A 62 -8.810 8.882 -7.818 1.00 0.00 C ATOM 0 H THR A 62 -6.501 9.080 -8.275 1.00 0.00 H new ATOM 0 HA THR A 62 -6.237 7.099 -6.487 1.00 0.00 H new ATOM 0 HB THR A 62 -7.871 8.621 -5.917 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.715 6.765 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.687 9.380 -7.406 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.086 9.630 -8.141 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.107 8.272 -8.671 1.00 0.00 H new ATOM 994 N GLU A 63 -7.898 5.982 -9.117 1.00 0.00 N ATOM 995 CA GLU A 63 -8.344 4.773 -9.799 1.00 0.00 C ATOM 996 C GLU A 63 -7.391 3.613 -9.528 1.00 0.00 C ATOM 997 O GLU A 63 -7.821 2.500 -9.226 1.00 0.00 O ATOM 998 CB GLU A 63 -8.448 5.020 -11.306 1.00 0.00 C ATOM 999 CG GLU A 63 -9.638 5.880 -11.701 1.00 0.00 C ATOM 1000 CD GLU A 63 -10.663 5.117 -12.518 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -10.467 4.991 -13.745 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -11.659 4.646 -11.931 1.00 0.00 O ATOM 0 H GLU A 63 -8.035 6.841 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.329 4.510 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.533 5.501 -11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.517 4.061 -11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.114 6.271 -10.802 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.287 6.738 -12.275 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.095 3.882 -9.639 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.080 2.860 -9.405 1.00 0.00 C ATOM 1011 C ASP A 64 -5.076 2.423 -7.944 1.00 0.00 C ATOM 1012 O ASP A 64 -5.437 1.291 -7.624 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.697 3.386 -9.797 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.725 4.182 -11.087 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.498 3.812 -11.995 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.974 5.174 -11.188 1.00 0.00 O ATOM 0 H ASP A 64 -5.722 4.798 -9.889 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.320 1.995 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.309 4.014 -8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.010 2.547 -9.906 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.663 3.327 -7.062 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.613 3.034 -5.634 1.00 0.00 C ATOM 1023 C ALA A 65 -5.841 2.247 -5.191 1.00 0.00 C ATOM 1024 O ALA A 65 -5.723 1.174 -4.602 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.494 4.323 -4.835 1.00 0.00 C ATOM 0 H ALA A 65 -4.358 4.268 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.733 2.419 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.458 4.089 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.582 4.847 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.357 4.958 -5.038 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.020 2.788 -5.480 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.271 2.136 -5.111 1.00 0.00 C ATOM 1033 C GLN A 66 -8.310 0.701 -5.627 1.00 0.00 C ATOM 1034 O GLN A 66 -8.791 -0.202 -4.942 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.463 2.920 -5.662 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.663 4.271 -4.994 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.063 4.818 -5.189 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.018 4.060 -5.364 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.192 6.139 -5.161 1.00 0.00 N ATOM 0 H GLN A 66 -7.135 3.676 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.332 2.114 -4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.325 3.070 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.368 2.325 -5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.459 4.178 -3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.940 4.981 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.373 6.728 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.110 6.565 -5.287 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.799 0.498 -6.837 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.774 -0.827 -7.443 1.00 0.00 C ATOM 1050 C ALA A 67 -6.801 -1.746 -6.714 1.00 0.00 C ATOM 1051 O ALA A 67 -7.161 -2.851 -6.308 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.406 -0.726 -8.916 1.00 0.00 C ATOM 0 H ALA A 67 -7.397 1.235 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.772 -1.258 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.391 -1.723 -9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.143 -0.112 -9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.420 -0.271 -9.014 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.566 -1.283 -6.552 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.540 -2.064 -5.870 1.00 0.00 C ATOM 1060 C ALA A 68 -5.098 -2.723 -4.613 1.00 0.00 C ATOM 1061 O ALA A 68 -4.586 -3.747 -4.159 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.350 -1.181 -5.522 1.00 0.00 C ATOM 0 H ALA A 68 -5.251 -0.371 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.208 -2.853 -6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.592 -1.776 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.929 -0.761 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.676 -0.373 -4.867 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.148 -2.130 -4.055 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.775 -2.659 -2.851 1.00 0.00 C ATOM 1070 C VAL A 69 -7.780 -3.755 -3.190 1.00 0.00 C ATOM 1071 O VAL A 69 -7.929 -4.727 -2.450 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.490 -1.551 -2.055 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.389 -2.155 -0.987 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.475 -0.602 -1.436 1.00 0.00 C ATOM 0 H VAL A 69 -6.583 -1.282 -4.418 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.977 -3.078 -2.238 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.116 -0.980 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.885 -1.357 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.138 -2.790 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.788 -2.751 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.997 0.175 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.822 -1.157 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.878 -0.143 -2.224 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.468 -3.590 -4.315 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.459 -4.566 -4.755 1.00 0.00 C ATOM 1086 C ASP A 70 -8.801 -5.907 -5.065 1.00 0.00 C ATOM 1087 O ASP A 70 -9.467 -6.941 -5.108 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.199 -4.050 -5.989 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.695 -4.281 -5.906 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.352 -3.621 -5.073 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.210 -5.122 -6.672 1.00 0.00 O ATOM 0 H ASP A 70 -8.358 -2.790 -4.938 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.174 -4.712 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.005 -2.984 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.807 -4.545 -6.878 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.490 -5.881 -5.278 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.743 -7.095 -5.587 1.00 0.00 C ATOM 1098 C TYR A 71 -6.346 -7.830 -4.310 1.00 0.00 C ATOM 1099 O TYR A 71 -6.031 -9.019 -4.338 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.494 -6.756 -6.404 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.752 -7.972 -6.908 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -5.333 -8.829 -7.835 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.471 -8.266 -6.458 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -4.659 -9.943 -8.299 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.789 -9.376 -6.917 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.387 -10.211 -7.838 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.712 -11.318 -8.296 1.00 0.00 O ATOM 0 H TYR A 71 -6.923 -5.034 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.387 -7.749 -6.175 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.783 -6.139 -7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.820 -6.158 -5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.328 -8.621 -8.199 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.000 -7.615 -5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.126 -10.600 -9.018 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.793 -9.589 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.829 -11.361 -7.873 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.363 -7.112 -3.193 1.00 0.00 N ATOM 1118 CA TYR A 72 -6.004 -7.694 -1.905 1.00 0.00 C ATOM 1119 C TYR A 72 -7.198 -8.401 -1.274 1.00 0.00 C ATOM 1120 O TYR A 72 -7.040 -9.280 -0.426 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.481 -6.611 -0.961 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.797 -6.871 0.495 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -4.960 -7.656 1.278 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.934 -6.334 1.086 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.246 -7.899 2.608 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.226 -6.569 2.415 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.380 -7.352 3.172 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.668 -7.591 4.497 1.00 0.00 O ATOM 0 H TYR A 72 -6.621 -6.126 -3.153 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.218 -8.430 -2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.401 -6.528 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.908 -5.651 -1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.070 -8.084 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.601 -5.723 0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.586 -8.513 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.113 -6.142 2.859 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.500 -7.133 4.739 1.00 0.00 H new ATOM 1138 N THR A 73 -8.398 -8.011 -1.694 1.00 0.00 N ATOM 1139 CA THR A 73 -9.622 -8.605 -1.171 1.00 0.00 C ATOM 1140 C THR A 73 -10.003 -9.857 -1.953 1.00 0.00 C ATOM 1141 O THR A 73 -10.651 -10.760 -1.423 1.00 0.00 O ATOM 1142 CB THR A 73 -10.796 -7.608 -1.217 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.933 -8.159 -0.544 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.163 -7.271 -2.653 1.00 0.00 C ATOM 0 H THR A 73 -8.548 -7.286 -2.395 1.00 0.00 H new ATOM 0 HA THR A 73 -9.424 -8.874 -0.133 1.00 0.00 H new ATOM 0 HB THR A 73 -10.486 -6.692 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.674 -7.519 -0.576 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.994 -6.566 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.304 -6.824 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.455 -8.181 -3.177 1.00 0.00 H new ATOM 1152 N THR A 74 -9.596 -9.906 -3.217 1.00 0.00 N ATOM 1153 CA THR A 74 -9.895 -11.047 -4.074 1.00 0.00 C ATOM 1154 C THR A 74 -8.700 -11.989 -4.170 1.00 0.00 C ATOM 1155 O THR A 74 -8.863 -13.201 -4.317 1.00 0.00 O ATOM 1156 CB THR A 74 -10.296 -10.596 -5.491 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.222 -9.867 -6.095 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.545 -9.730 -5.451 1.00 0.00 C ATOM 0 H THR A 74 -9.058 -9.168 -3.671 1.00 0.00 H new ATOM 0 HA THR A 74 -10.734 -11.574 -3.619 1.00 0.00 H new ATOM 0 HB THR A 74 -10.510 -11.485 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.262 -8.930 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.808 -9.424 -6.464 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.368 -10.298 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.355 -8.846 -4.843 1.00 0.00 H new ATOM 1166 N THR A 75 -7.499 -11.425 -4.087 1.00 0.00 N ATOM 1167 CA THR A 75 -6.278 -12.216 -4.167 1.00 0.00 C ATOM 1168 C THR A 75 -5.322 -11.864 -3.033 1.00 0.00 C ATOM 1169 O THR A 75 -5.148 -10.699 -2.674 1.00 0.00 O ATOM 1170 CB THR A 75 -5.559 -12.005 -5.513 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.402 -12.429 -6.589 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.249 -12.779 -5.554 1.00 0.00 C ATOM 0 H THR A 75 -7.346 -10.424 -3.964 1.00 0.00 H new ATOM 0 HA THR A 75 -6.572 -13.262 -4.081 1.00 0.00 H new ATOM 0 HB THR A 75 -5.339 -10.943 -5.620 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.205 -11.897 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.759 -12.615 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.598 -12.435 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.451 -13.843 -5.427 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.684 -12.893 -2.454 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.733 -12.717 -1.353 1.00 0.00 C ATOM 1182 C PRO A 76 -2.442 -12.044 -1.805 1.00 0.00 C ATOM 1183 O PRO A 76 -1.744 -12.545 -2.686 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.456 -14.150 -0.891 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.730 -14.993 -2.088 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.843 -14.308 -2.831 1.00 0.00 C ATOM 0 HA PRO A 76 -4.131 -12.072 -0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.426 -14.265 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.099 -14.428 -0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.842 -15.084 -2.713 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.019 -16.003 -1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.754 -14.449 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.819 -14.695 -2.538 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.129 -10.905 -1.195 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.919 -10.165 -1.532 1.00 0.00 C ATOM 1196 C ALA A 77 0.269 -10.649 -0.708 1.00 0.00 C ATOM 1197 O ALA A 77 0.592 -10.072 0.332 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.138 -8.674 -1.323 1.00 0.00 C ATOM 0 H ALA A 77 -2.697 -10.475 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.694 -10.344 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.227 -8.133 -1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.953 -8.333 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.391 -8.486 -0.280 1.00 0.00 H new ATOM 1204 N LEU A 78 0.916 -11.709 -1.176 1.00 0.00 N ATOM 1205 CA LEU A 78 2.069 -12.271 -0.481 1.00 0.00 C ATOM 1206 C LEU A 78 3.340 -11.501 -0.823 1.00 0.00 C ATOM 1207 O LEU A 78 3.849 -11.588 -1.940 1.00 0.00 O ATOM 1208 CB LEU A 78 2.240 -13.747 -0.846 1.00 0.00 C ATOM 1209 CG LEU A 78 1.143 -14.692 -0.353 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.545 -16.140 -0.582 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.848 -14.445 1.119 1.00 0.00 C ATOM 0 H LEU A 78 0.662 -12.198 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 78 1.892 -12.186 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.300 -13.828 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.194 -14.091 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 78 0.235 -14.493 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.753 -16.798 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.705 -16.309 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.466 -16.352 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.065 -15.126 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.751 -14.616 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.516 -13.416 1.256 1.00 0.00 H new ATOM 1223 N VAL A 79 3.849 -10.747 0.147 1.00 0.00 N ATOM 1224 CA VAL A 79 5.062 -9.963 -0.051 1.00 0.00 C ATOM 1225 C VAL A 79 6.283 -10.693 0.498 1.00 0.00 C ATOM 1226 O VAL A 79 6.331 -11.045 1.678 1.00 0.00 O ATOM 1227 CB VAL A 79 4.955 -8.584 0.626 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.259 -7.814 0.478 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.792 -7.794 0.043 1.00 0.00 C ATOM 0 H VAL A 79 3.440 -10.663 1.078 1.00 0.00 H new ATOM 0 HA VAL A 79 5.178 -9.824 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 79 4.767 -8.734 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.165 -6.842 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.068 -8.375 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.480 -7.672 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.731 -6.822 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.948 -7.652 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.863 -8.341 0.205 1.00 0.00 H new ATOM 1239 N PHE A 80 7.268 -10.918 -0.363 1.00 0.00 N ATOM 1240 CA PHE A 80 8.491 -11.606 0.036 1.00 0.00 C ATOM 1241 C PHE A 80 8.202 -13.060 0.399 1.00 0.00 C ATOM 1242 O PHE A 80 9.090 -13.788 0.842 1.00 0.00 O ATOM 1243 CB PHE A 80 9.141 -10.891 1.222 1.00 0.00 C ATOM 1244 CG PHE A 80 10.273 -9.986 0.830 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.285 -10.441 0.001 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.324 -8.679 1.289 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.329 -9.610 -0.361 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.365 -7.844 0.931 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.368 -8.309 0.104 1.00 0.00 C ATOM 0 H PHE A 80 7.244 -10.634 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 80 9.180 -11.590 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.383 -10.306 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.510 -11.636 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.258 -11.456 -0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.541 -8.309 1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.113 -9.977 -1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.394 -6.829 1.298 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.181 -7.657 -0.179 1.00 0.00 H new ATOM 1259 N GLY A 81 6.954 -13.475 0.208 1.00 0.00 N ATOM 1260 CA GLY A 81 6.569 -14.839 0.522 1.00 0.00 C ATOM 1261 C GLY A 81 5.561 -14.912 1.651 1.00 0.00 C ATOM 1262 O GLY A 81 4.957 -15.958 1.887 1.00 0.00 O ATOM 0 H GLY A 81 6.202 -12.891 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.148 -15.308 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.457 -15.410 0.794 1.00 0.00 H new ATOM 1266 N LYS A 82 5.378 -13.798 2.352 1.00 0.00 N ATOM 1267 CA LYS A 82 4.438 -13.740 3.465 1.00 0.00 C ATOM 1268 C LYS A 82 3.310 -12.756 3.171 1.00 0.00 C ATOM 1269 O LYS A 82 3.495 -11.746 2.490 1.00 0.00 O ATOM 1270 CB LYS A 82 5.160 -13.333 4.750 1.00 0.00 C ATOM 1271 CG LYS A 82 5.856 -11.987 4.658 1.00 0.00 C ATOM 1272 CD LYS A 82 7.309 -12.137 4.239 1.00 0.00 C ATOM 1273 CE LYS A 82 8.077 -10.837 4.418 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.549 -11.047 4.331 1.00 0.00 N ATOM 0 H LYS A 82 5.869 -12.923 2.169 1.00 0.00 H new ATOM 0 HA LYS A 82 4.008 -14.733 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.440 -13.305 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.896 -14.097 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.333 -11.354 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.805 -11.483 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.780 -12.923 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.358 -12.449 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.766 -10.123 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.829 -10.399 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.970 -10.946 5.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.743 -12.001 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.963 -10.340 3.690 1.00 0.00 H new ATOM 1288 N PRO A 83 2.112 -13.054 3.695 1.00 0.00 N ATOM 1289 CA PRO A 83 0.930 -12.206 3.504 1.00 0.00 C ATOM 1290 C PRO A 83 1.039 -10.884 4.253 1.00 0.00 C ATOM 1291 O PRO A 83 1.662 -10.807 5.313 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.209 -13.053 4.075 1.00 0.00 C ATOM 1293 CG PRO A 83 0.447 -13.955 5.063 1.00 0.00 C ATOM 1294 CD PRO A 83 1.818 -14.240 4.516 1.00 0.00 C ATOM 0 HA PRO A 83 0.791 -11.929 2.459 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.966 -12.429 4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.710 -13.622 3.292 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.508 -13.482 6.043 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.122 -14.876 5.189 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.550 -14.368 5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.831 -15.153 3.921 1.00 0.00 H new ATOM 1302 N VAL A 84 0.429 -9.842 3.697 1.00 0.00 N ATOM 1303 CA VAL A 84 0.456 -8.521 4.314 1.00 0.00 C ATOM 1304 C VAL A 84 -0.907 -7.843 4.221 1.00 0.00 C ATOM 1305 O VAL A 84 -1.870 -8.429 3.728 1.00 0.00 O ATOM 1306 CB VAL A 84 1.513 -7.615 3.656 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.896 -8.237 3.770 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.157 -7.352 2.200 1.00 0.00 C ATOM 0 H VAL A 84 -0.090 -9.887 2.820 1.00 0.00 H new ATOM 0 HA VAL A 84 0.716 -8.667 5.362 1.00 0.00 H new ATOM 0 HB VAL A 84 1.526 -6.660 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.629 -7.582 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.150 -8.369 4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.901 -9.206 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.915 -6.710 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.115 -8.297 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.186 -6.860 2.146 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.980 -6.604 4.698 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.225 -5.847 4.670 1.00 0.00 C ATOM 1320 C ARG A 85 -2.156 -4.726 3.636 1.00 0.00 C ATOM 1321 O ARG A 85 -1.103 -4.123 3.428 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.523 -5.263 6.052 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.326 -6.194 6.946 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.864 -5.465 8.168 1.00 0.00 C ATOM 1325 NE ARG A 85 -3.347 -6.028 9.412 1.00 0.00 N ATOM 1326 CZ ARG A 85 -3.852 -5.751 10.610 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -4.882 -4.924 10.723 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -3.327 -6.303 11.696 1.00 0.00 N ATOM 0 H ARG A 85 -0.191 -6.104 5.108 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.029 -6.528 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.582 -5.021 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.069 -4.328 5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.155 -6.619 6.380 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.698 -7.026 7.264 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.596 -4.410 8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.953 -5.517 8.171 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.555 -6.669 9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.289 -4.499 9.890 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.268 -4.713 11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.535 -6.941 11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.715 -6.090 12.615 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.285 -4.452 2.992 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.354 -3.405 1.980 1.00 0.00 C ATOM 1344 C VAL A 86 -4.632 -2.586 2.122 1.00 0.00 C ATOM 1345 O VAL A 86 -5.727 -3.070 1.835 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.290 -3.993 0.558 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.523 -2.906 -0.481 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -1.954 -4.684 0.327 1.00 0.00 C ATOM 0 H VAL A 86 -4.166 -4.941 3.153 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.491 -2.757 2.136 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.081 -4.736 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.474 -3.341 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.506 -2.460 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.756 -2.138 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.926 -5.094 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.146 -3.963 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.832 -5.491 1.049 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.484 -1.342 2.568 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.627 -0.454 2.747 1.00 0.00 C ATOM 1360 C HIS A 87 -5.398 0.878 2.039 1.00 0.00 C ATOM 1361 O HIS A 87 -4.257 1.300 1.843 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.885 -0.215 4.235 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.216 -1.463 4.993 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.981 -1.609 6.345 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.769 -2.629 4.582 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -6.372 -2.809 6.731 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.855 -3.449 5.681 1.00 0.00 N ATOM 0 H HIS A 87 -3.585 -0.927 2.812 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.501 -0.934 2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.003 0.247 4.679 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.705 0.495 4.344 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.084 -2.869 3.577 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.308 -3.201 7.735 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.231 -4.397 5.686 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.487 1.534 1.655 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.405 2.818 0.968 1.00 0.00 C ATOM 1377 C LEU A 88 -6.522 3.974 1.956 1.00 0.00 C ATOM 1378 O LEU A 88 -7.579 4.592 2.081 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.505 2.924 -0.090 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.109 3.599 -1.405 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -6.795 5.068 -1.176 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -5.919 2.888 -2.032 1.00 0.00 C ATOM 0 H LEU A 88 -7.438 1.198 1.808 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.432 2.879 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.864 1.919 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.343 3.473 0.339 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.951 3.532 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.515 5.532 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.674 5.569 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.970 5.158 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.651 3.382 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.072 2.923 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.180 1.849 -2.232 1.00 0.00 H new ATOM 1394 N SER A 89 -5.428 4.260 2.656 1.00 0.00 N ATOM 1395 CA SER A 89 -5.408 5.341 3.634 1.00 0.00 C ATOM 1396 C SER A 89 -5.556 6.696 2.950 1.00 0.00 C ATOM 1397 O SER A 89 -6.092 6.790 1.846 1.00 0.00 O ATOM 1398 CB SER A 89 -4.108 5.303 4.440 1.00 0.00 C ATOM 1399 OG SER A 89 -4.363 5.448 5.826 1.00 0.00 O ATOM 0 H SER A 89 -4.545 3.758 2.564 1.00 0.00 H new ATOM 0 HA SER A 89 -6.251 5.202 4.310 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.592 4.360 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.445 6.100 4.104 1.00 0.00 H new ATOM 0 HG SER A 89 -3.517 5.419 6.319 1.00 0.00 H new ATOM 1405 N GLN A 90 -5.079 7.743 3.615 1.00 0.00 N ATOM 1406 CA GLN A 90 -5.159 9.094 3.072 1.00 0.00 C ATOM 1407 C GLN A 90 -3.961 9.929 3.511 1.00 0.00 C ATOM 1408 O GLN A 90 -2.982 9.401 4.037 1.00 0.00 O ATOM 1409 CB GLN A 90 -6.458 9.769 3.518 1.00 0.00 C ATOM 1410 CG GLN A 90 -6.465 10.163 4.987 1.00 0.00 C ATOM 1411 CD GLN A 90 -7.865 10.395 5.521 1.00 0.00 C ATOM 1412 OE1 GLN A 90 -8.850 9.952 4.929 1.00 0.00 O ATOM 1413 NE2 GLN A 90 -7.961 11.092 6.647 1.00 0.00 N ATOM 0 H GLN A 90 -4.633 7.682 4.530 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.149 9.023 1.984 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.622 10.659 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.293 9.094 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.982 9.380 5.572 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.875 11.070 5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.119 11.440 7.105 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.877 11.279 7.054 1.00 0.00 H new ATOM 1422 N LYS A 91 -4.046 11.237 3.290 1.00 0.00 N ATOM 1423 CA LYS A 91 -2.968 12.147 3.662 1.00 0.00 C ATOM 1424 C LYS A 91 -1.686 11.808 2.910 1.00 0.00 C ATOM 1425 O LYS A 91 -1.654 10.879 2.103 1.00 0.00 O ATOM 1426 CB LYS A 91 -2.719 12.084 5.171 1.00 0.00 C ATOM 1427 CG LYS A 91 -3.649 12.974 5.978 1.00 0.00 C ATOM 1428 CD LYS A 91 -3.201 13.079 7.427 1.00 0.00 C ATOM 1429 CE LYS A 91 -3.762 11.942 8.267 1.00 0.00 C ATOM 1430 NZ LYS A 91 -4.681 12.438 9.328 1.00 0.00 N ATOM 0 H LYS A 91 -4.850 11.690 2.855 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.270 13.159 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.833 11.053 5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.687 12.372 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.680 13.968 5.533 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.662 12.575 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.112 13.065 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.526 14.033 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.295 11.243 7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.942 11.390 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.042 11.633 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.166 13.085 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.478 12.943 8.889 1.00 0.00 H new ATOM 1444 N TYR A 92 -0.629 12.567 3.181 1.00 0.00 N ATOM 1445 CA TYR A 92 0.656 12.348 2.529 1.00 0.00 C ATOM 1446 C TYR A 92 0.556 12.598 1.028 1.00 0.00 C ATOM 1447 O TYR A 92 0.900 11.737 0.218 1.00 0.00 O ATOM 1448 CB TYR A 92 1.147 10.922 2.788 1.00 0.00 C ATOM 1449 CG TYR A 92 1.322 10.599 4.255 1.00 0.00 C ATOM 1450 CD1 TYR A 92 0.222 10.359 5.068 1.00 0.00 C ATOM 1451 CD2 TYR A 92 2.587 10.534 4.826 1.00 0.00 C ATOM 1452 CE1 TYR A 92 0.377 10.064 6.410 1.00 0.00 C ATOM 1453 CE2 TYR A 92 2.751 10.240 6.166 1.00 0.00 C ATOM 1454 CZ TYR A 92 1.644 10.004 6.953 1.00 0.00 C ATOM 1455 OH TYR A 92 1.803 9.711 8.288 1.00 0.00 O ATOM 0 H TYR A 92 -0.638 13.339 3.848 1.00 0.00 H new ATOM 0 HA TYR A 92 1.372 13.054 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.439 10.218 2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 92 2.098 10.776 2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.771 10.403 4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 92 3.457 10.716 4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -0.489 9.882 7.030 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.741 10.195 6.595 1.00 0.00 H new ATOM 0 HH TYR A 92 2.757 9.707 8.511 1.00 0.00 H new ATOM 1465 N LYS A 93 0.081 13.785 0.663 1.00 0.00 N ATOM 1466 CA LYS A 93 -0.064 14.153 -0.740 1.00 0.00 C ATOM 1467 C LYS A 93 1.262 14.641 -1.315 1.00 0.00 C ATOM 1468 O LYS A 93 1.511 14.521 -2.515 1.00 0.00 O ATOM 1469 CB LYS A 93 -1.131 15.239 -0.897 1.00 0.00 C ATOM 1470 CG LYS A 93 -2.078 15.000 -2.060 1.00 0.00 C ATOM 1471 CD LYS A 93 -3.514 15.331 -1.687 1.00 0.00 C ATOM 1472 CE LYS A 93 -4.170 16.217 -2.733 1.00 0.00 C ATOM 1473 NZ LYS A 93 -4.063 17.661 -2.384 1.00 0.00 N ATOM 0 H LYS A 93 -0.210 14.508 1.321 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.374 13.266 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.710 15.303 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.639 16.202 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.772 15.609 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.014 13.958 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.085 14.409 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.534 15.833 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.702 16.042 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.221 15.944 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.522 18.232 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.531 17.833 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.060 17.928 -2.314 1.00 0.00 H new ATOM 1487 N ARG A 94 2.109 15.190 -0.452 1.00 0.00 N ATOM 1488 CA ARG A 94 3.410 15.697 -0.874 1.00 0.00 C ATOM 1489 C ARG A 94 4.490 14.634 -0.696 1.00 0.00 C ATOM 1490 O ARG A 94 5.191 14.283 -1.646 1.00 0.00 O ATOM 1491 CB ARG A 94 3.776 16.951 -0.078 1.00 0.00 C ATOM 1492 CG ARG A 94 4.306 18.086 -0.939 1.00 0.00 C ATOM 1493 CD ARG A 94 3.762 19.430 -0.484 1.00 0.00 C ATOM 1494 NE ARG A 94 4.732 20.169 0.320 1.00 0.00 N ATOM 1495 CZ ARG A 94 4.517 21.393 0.789 1.00 0.00 C ATOM 1496 NH1 ARG A 94 3.373 22.012 0.537 1.00 0.00 N ATOM 1497 NH2 ARG A 94 5.449 22.000 1.514 1.00 0.00 N ATOM 0 H ARG A 94 1.918 15.296 0.544 1.00 0.00 H new ATOM 0 HA ARG A 94 3.347 15.953 -1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.895 17.297 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 94 4.527 16.691 0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.395 18.099 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.031 17.914 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.486 20.024 -1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.853 19.275 0.097 1.00 0.00 H new ATOM 0 HE ARG A 94 5.623 19.721 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.654 21.549 -0.019 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.211 22.952 0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.331 21.526 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.283 22.940 1.874 1.00 0.00 H new ATOM 1511 N ILE A 95 4.620 14.128 0.525 1.00 0.00 N ATOM 1512 CA ILE A 95 5.615 13.106 0.827 1.00 0.00 C ATOM 1513 C ILE A 95 7.029 13.637 0.619 1.00 0.00 C ATOM 1514 O ILE A 95 7.746 13.915 1.581 1.00 0.00 O ATOM 1515 CB ILE A 95 5.416 11.853 -0.046 1.00 0.00 C ATOM 1516 CG1 ILE A 95 4.000 11.300 0.130 1.00 0.00 C ATOM 1517 CG2 ILE A 95 6.450 10.794 0.305 1.00 0.00 C ATOM 1518 CD1 ILE A 95 3.806 9.928 -0.476 1.00 0.00 C ATOM 0 H ILE A 95 4.049 14.409 1.322 1.00 0.00 H new ATOM 0 HA ILE A 95 5.482 12.835 1.874 1.00 0.00 H new ATOM 0 HB ILE A 95 5.549 12.132 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.766 11.254 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.290 11.992 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.297 9.914 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.450 11.191 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.345 10.516 1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.779 9.600 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.007 9.971 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.491 9.222 -0.006 1.00 0.00 H new ATOM 1530 N LYS A 96 7.423 13.778 -0.642 1.00 0.00 N ATOM 1531 CA LYS A 96 8.751 14.279 -0.977 1.00 0.00 C ATOM 1532 C LYS A 96 8.723 15.789 -1.196 1.00 0.00 C ATOM 1533 O LYS A 96 8.469 16.259 -2.305 1.00 0.00 O ATOM 1534 CB LYS A 96 9.280 13.580 -2.231 1.00 0.00 C ATOM 1535 CG LYS A 96 10.786 13.385 -2.228 1.00 0.00 C ATOM 1536 CD LYS A 96 11.202 12.270 -1.283 1.00 0.00 C ATOM 1537 CE LYS A 96 12.340 12.706 -0.372 1.00 0.00 C ATOM 1538 NZ LYS A 96 12.584 11.725 0.720 1.00 0.00 N ATOM 0 H LYS A 96 6.842 13.552 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 96 9.416 14.063 -0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.796 12.608 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.999 14.163 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.126 13.153 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.274 14.314 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.347 11.966 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.510 11.398 -1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.249 12.828 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.107 13.679 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.367 12.059 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.724 11.627 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.832 10.802 0.309 1.00 0.00 H new ATOM 1552 N SER A 97 8.988 16.541 -0.133 1.00 0.00 N ATOM 1553 CA SER A 97 8.991 17.997 -0.209 1.00 0.00 C ATOM 1554 C SER A 97 10.349 18.560 0.201 1.00 0.00 C ATOM 1555 O SER A 97 11.027 18.006 1.066 1.00 0.00 O ATOM 1556 CB SER A 97 7.894 18.579 0.685 1.00 0.00 C ATOM 1557 OG SER A 97 7.829 19.989 0.561 1.00 0.00 O ATOM 0 H SER A 97 9.203 16.166 0.791 1.00 0.00 H new ATOM 0 HA SER A 97 8.796 18.282 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.932 18.143 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.087 18.311 1.724 1.00 0.00 H new ATOM 0 HG SER A 97 7.993 20.402 1.434 1.00 0.00 H new ATOM 1563 N GLY A 98 10.738 19.666 -0.426 1.00 0.00 N ATOM 1564 CA GLY A 98 12.013 20.285 -0.113 1.00 0.00 C ATOM 1565 C GLY A 98 13.167 19.305 -0.182 1.00 0.00 C ATOM 1566 O GLY A 98 13.099 18.279 -0.859 1.00 0.00 O ATOM 0 H GLY A 98 10.194 20.144 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.195 21.105 -0.807 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.967 20.718 0.886 1.00 0.00 H new ATOM 1570 N PRO A 99 14.259 19.620 0.530 1.00 0.00 N ATOM 1571 CA PRO A 99 15.455 18.772 0.561 1.00 0.00 C ATOM 1572 C PRO A 99 15.221 17.468 1.314 1.00 0.00 C ATOM 1573 O PRO A 99 15.695 16.408 0.904 1.00 0.00 O ATOM 1574 CB PRO A 99 16.483 19.637 1.296 1.00 0.00 C ATOM 1575 CG PRO A 99 15.670 20.560 2.136 1.00 0.00 C ATOM 1576 CD PRO A 99 14.411 20.827 1.359 1.00 0.00 C ATOM 0 HA PRO A 99 15.767 18.470 -0.439 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.148 19.028 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.110 20.188 0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.444 20.110 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.210 21.486 2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.555 20.972 2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 99 14.499 21.726 0.748 1.00 0.00 H new ATOM 1584 N SER A 100 14.486 17.551 2.419 1.00 0.00 N ATOM 1585 CA SER A 100 14.192 16.376 3.231 1.00 0.00 C ATOM 1586 C SER A 100 13.308 16.745 4.419 1.00 0.00 C ATOM 1587 O SER A 100 12.156 16.321 4.505 1.00 0.00 O ATOM 1588 CB SER A 100 15.489 15.733 3.726 1.00 0.00 C ATOM 1589 OG SER A 100 15.295 14.363 4.031 1.00 0.00 O ATOM 0 H SER A 100 14.084 18.419 2.772 1.00 0.00 H new ATOM 0 HA SER A 100 13.655 15.660 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.262 15.833 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.844 16.259 4.612 1.00 0.00 H new ATOM 0 HG SER A 100 16.139 13.975 4.343 1.00 0.00 H new ATOM 1595 N SER A 101 13.858 17.537 5.334 1.00 0.00 N ATOM 1596 CA SER A 101 13.122 17.961 6.519 1.00 0.00 C ATOM 1597 C SER A 101 13.486 19.392 6.901 1.00 0.00 C ATOM 1598 O SER A 101 14.384 19.994 6.314 1.00 0.00 O ATOM 1599 CB SER A 101 13.414 17.019 7.689 1.00 0.00 C ATOM 1600 OG SER A 101 12.308 16.947 8.574 1.00 0.00 O ATOM 0 H SER A 101 14.810 17.898 5.277 1.00 0.00 H new ATOM 0 HA SER A 101 12.057 17.925 6.288 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.646 16.024 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.294 17.367 8.229 1.00 0.00 H new ATOM 0 HG SER A 101 12.519 16.338 9.312 1.00 0.00 H new ATOM 1606 N GLY A 102 12.781 19.932 7.891 1.00 0.00 N ATOM 1607 CA GLY A 102 13.043 21.289 8.336 1.00 0.00 C ATOM 1608 C GLY A 102 13.473 21.349 9.788 1.00 0.00 C ATOM 1609 O GLY A 102 12.889 20.686 10.644 1.00 0.00 O ATOM 0 H GLY A 102 12.033 19.454 8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.820 21.729 7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.145 21.892 8.201 1.00 0.00 H new TER 1613 GLY A 102