USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 960 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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.361 K(o=0.36,f=-0.42) USER MOD Set 2.1: A 37 ASN : amide:sc= -0.426 K(o=-5.7,f=-6.7) USER MOD Set 2.2: A 68 GLN : amide:sc= -5.29! C(o=-5.7!,f=-22!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -90:sc= -4.98! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -15:sc= -3.37! USER MOD Single : A 35 ASN : amide:sc= -2.81! K(o=-2.8!,f=-2.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= -2.59! (180deg=-5.35!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.341 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -8.93! K(o=-8.9!,f=-5.5) USER MOD Single : A 75 MET CE :methyl 154:sc= -1.24 (180deg=-2.93!) USER MOD Single : A 81 MET CE :methyl -168:sc= -13.6! (180deg=-14.2!) USER MOD Single : A 82 THR OG1 : rot 86:sc= -0.242 USER MOD Single : A 84 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-4.9!) USER MOD Single : A 85 SER OG : rot -110:sc= 1.38! USER MOD Single : A 92 SER OG : rot -15:sc= -0.0854 USER MOD Single : A 94 TYR OH : rot 64:sc= 0.603 USER MOD Single : A 95 GLN : amide:sc= -0.408 K(o=-0.41,f=-2.5!) USER MOD Single : A 96 GLN : amide:sc= -3.5 K(o=-3.5,f=-5.1!) USER MOD Single : A 101 TYR OH : rot 0:sc= -0.326 USER MOD Single : A 104 LYS NZ :NH3+ 147:sc= 1.27 (180deg=-0.439) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.622 -16.003 -2.397 1.00 0.00 N ATOM 2 CA MET A 1 10.047 -16.432 -2.417 1.00 0.00 C ATOM 3 C MET A 1 10.901 -15.498 -3.274 1.00 0.00 C ATOM 4 O MET A 1 11.950 -15.028 -2.835 1.00 0.00 O ATOM 5 CB MET A 1 10.116 -17.865 -2.955 1.00 0.00 C ATOM 6 CG MET A 1 10.617 -18.871 -1.931 1.00 0.00 C ATOM 7 SD MET A 1 10.257 -20.574 -2.397 1.00 0.00 S ATOM 8 CE MET A 1 11.907 -21.267 -2.469 1.00 0.00 C ATOM 0 H1 MET A 1 8.071 -16.658 -1.807 1.00 0.00 H new ATOM 0 H2 MET A 1 8.554 -15.042 -2.004 1.00 0.00 H new ATOM 0 H3 MET A 1 8.244 -16.008 -3.366 1.00 0.00 H new ATOM 0 HA MET A 1 10.446 -16.391 -1.403 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.125 -18.166 -3.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.771 -17.887 -3.826 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.693 -18.752 -1.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.160 -18.658 -0.965 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.848 -22.319 -2.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.496 -20.729 -3.212 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.383 -21.175 -1.493 1.00 0.00 H new ATOM 20 N GLN A 2 10.454 -15.239 -4.500 1.00 0.00 N ATOM 21 CA GLN A 2 11.192 -14.367 -5.410 1.00 0.00 C ATOM 22 C GLN A 2 10.346 -13.198 -5.907 1.00 0.00 C ATOM 23 O GLN A 2 10.882 -12.208 -6.404 1.00 0.00 O ATOM 24 CB GLN A 2 11.701 -15.160 -6.610 1.00 0.00 C ATOM 25 CG GLN A 2 12.911 -14.528 -7.280 1.00 0.00 C ATOM 26 CD GLN A 2 13.072 -14.955 -8.724 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.391 -14.449 -9.616 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.981 -15.893 -8.964 1.00 0.00 N ATOM 0 H GLN A 2 9.589 -15.618 -4.885 1.00 0.00 H new ATOM 0 HA GLN A 2 12.031 -13.962 -4.845 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.959 -16.169 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.898 -15.255 -7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.820 -13.443 -7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.810 -14.796 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.524 -16.286 -8.195 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.136 -16.221 -9.917 1.00 0.00 H new ATOM 37 N ARG A 3 9.030 -13.315 -5.789 1.00 0.00 N ATOM 38 CA ARG A 3 8.128 -12.263 -6.246 1.00 0.00 C ATOM 39 C ARG A 3 8.153 -11.049 -5.318 1.00 0.00 C ATOM 40 O ARG A 3 7.104 -10.524 -4.941 1.00 0.00 O ATOM 41 CB ARG A 3 6.699 -12.792 -6.366 1.00 0.00 C ATOM 42 CG ARG A 3 5.884 -12.073 -7.429 1.00 0.00 C ATOM 43 CD ARG A 3 5.449 -13.019 -8.538 1.00 0.00 C ATOM 44 NE ARG A 3 6.217 -12.812 -9.763 1.00 0.00 N ATOM 45 CZ ARG A 3 7.378 -13.412 -10.025 1.00 0.00 C ATOM 46 NH1 ARG A 3 7.912 -14.254 -9.151 1.00 0.00 N ATOM 47 NH2 ARG A 3 8.010 -13.165 -11.163 1.00 0.00 N ATOM 0 H ARG A 3 8.563 -14.125 -5.382 1.00 0.00 H new ATOM 0 HA ARG A 3 8.478 -11.945 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.730 -13.856 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.199 -12.691 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.005 -11.621 -6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.475 -11.261 -7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.569 -14.050 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.389 -12.873 -8.745 1.00 0.00 H new ATOM 0 HE ARG A 3 5.842 -12.169 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.434 -14.447 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.801 -14.709 -9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.608 -12.515 -11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.898 -13.624 -11.363 1.00 0.00 H new ATOM 61 N GLY A 4 9.353 -10.591 -4.975 1.00 0.00 N ATOM 62 CA GLY A 4 9.488 -9.430 -4.116 1.00 0.00 C ATOM 63 C GLY A 4 9.031 -8.177 -4.822 1.00 0.00 C ATOM 64 O GLY A 4 9.845 -7.437 -5.373 1.00 0.00 O ATOM 0 H GLY A 4 10.235 -11.004 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.901 -9.575 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.528 -9.320 -3.809 1.00 0.00 H new ATOM 68 N ILE A 5 7.721 -7.953 -4.836 1.00 0.00 N ATOM 69 CA ILE A 5 7.161 -6.795 -5.518 1.00 0.00 C ATOM 70 C ILE A 5 6.507 -5.818 -4.548 1.00 0.00 C ATOM 71 O ILE A 5 5.519 -6.145 -3.883 1.00 0.00 O ATOM 72 CB ILE A 5 6.101 -7.211 -6.559 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.505 -8.488 -7.304 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.863 -6.087 -7.552 1.00 0.00 C ATOM 75 CD1 ILE A 5 7.977 -8.587 -7.650 1.00 0.00 C ATOM 0 H ILE A 5 7.032 -8.555 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 5 8.002 -6.308 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 5 5.177 -7.416 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.232 -9.349 -6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.925 -8.553 -8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.113 -6.397 -8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.511 -5.202 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.794 -5.854 -8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.165 -9.524 -8.175 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.258 -7.750 -8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.569 -8.559 -6.735 1.00 0.00 H new ATOM 87 N VAL A 6 7.044 -4.607 -4.499 1.00 0.00 N ATOM 88 CA VAL A 6 6.491 -3.566 -3.649 1.00 0.00 C ATOM 89 C VAL A 6 5.757 -2.541 -4.504 1.00 0.00 C ATOM 90 O VAL A 6 6.333 -1.962 -5.419 1.00 0.00 O ATOM 91 CB VAL A 6 7.580 -2.849 -2.825 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.732 -2.417 -3.720 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.975 -1.661 -2.083 1.00 0.00 C ATOM 0 H VAL A 6 7.862 -4.323 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 6 5.803 -4.046 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 6 7.981 -3.543 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.490 -1.913 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.171 -3.293 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.362 -1.734 -4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.751 -1.160 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.550 -0.961 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.191 -2.012 -1.412 1.00 0.00 H new ATOM 103 N TRP A 7 4.491 -2.315 -4.202 1.00 0.00 N ATOM 104 CA TRP A 7 3.699 -1.353 -4.952 1.00 0.00 C ATOM 105 C TRP A 7 3.286 -0.200 -4.052 1.00 0.00 C ATOM 106 O TRP A 7 2.993 -0.399 -2.872 1.00 0.00 O ATOM 107 CB TRP A 7 2.483 -2.041 -5.572 1.00 0.00 C ATOM 108 CG TRP A 7 2.841 -2.859 -6.775 1.00 0.00 C ATOM 109 CD1 TRP A 7 4.089 -3.033 -7.300 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.951 -3.612 -7.603 1.00 0.00 C ATOM 111 NE1 TRP A 7 4.031 -3.840 -8.405 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.729 -4.214 -8.612 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.572 -3.837 -7.590 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.174 -5.024 -9.596 1.00 0.00 C ATOM 115 CZ3 TRP A 7 0.022 -4.643 -8.568 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.823 -5.230 -9.559 1.00 0.00 C ATOM 0 H TRP A 7 3.990 -2.782 -3.446 1.00 0.00 H new ATOM 0 HA TRP A 7 4.303 -0.945 -5.763 1.00 0.00 H new ATOM 0 HB2 TRP A 7 2.013 -2.682 -4.827 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.747 -1.288 -5.854 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.993 -2.597 -6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.827 -4.117 -8.980 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.052 -3.390 -6.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.788 -5.474 -10.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.043 -4.824 -8.570 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.363 -5.857 -10.308 1.00 0.00 H new ATOM 127 N VAL A 8 3.296 1.008 -4.603 1.00 0.00 N ATOM 128 CA VAL A 8 2.953 2.193 -3.831 1.00 0.00 C ATOM 129 C VAL A 8 1.894 3.040 -4.528 1.00 0.00 C ATOM 130 O VAL A 8 1.969 3.299 -5.725 1.00 0.00 O ATOM 131 CB VAL A 8 4.198 3.079 -3.566 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.165 3.665 -2.161 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.495 2.304 -3.781 1.00 0.00 C ATOM 0 H VAL A 8 3.537 1.191 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 8 2.554 1.830 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 8 4.168 3.897 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.050 4.282 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.271 4.277 -2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.151 2.857 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.346 2.957 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.527 1.453 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.540 1.948 -4.810 1.00 0.00 H new ATOM 143 N VAL A 9 0.912 3.483 -3.759 1.00 0.00 N ATOM 144 CA VAL A 9 -0.154 4.316 -4.290 1.00 0.00 C ATOM 145 C VAL A 9 -0.232 5.630 -3.509 1.00 0.00 C ATOM 146 O VAL A 9 -0.642 5.659 -2.349 1.00 0.00 O ATOM 147 CB VAL A 9 -1.502 3.548 -4.282 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.695 4.445 -3.998 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.687 2.846 -5.615 1.00 0.00 C ATOM 0 H VAL A 9 0.832 3.279 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 9 0.066 4.563 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.457 2.822 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.608 3.850 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.575 4.912 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.759 5.218 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.633 2.305 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.692 3.584 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.868 2.144 -5.773 1.00 0.00 H new ATOM 159 N ASP A 10 0.190 6.711 -4.162 1.00 0.00 N ATOM 160 CA ASP A 10 0.204 8.045 -3.560 1.00 0.00 C ATOM 161 C ASP A 10 0.295 9.099 -4.663 1.00 0.00 C ATOM 162 O ASP A 10 -0.186 8.886 -5.773 1.00 0.00 O ATOM 163 CB ASP A 10 1.374 8.161 -2.567 1.00 0.00 C ATOM 164 CG ASP A 10 1.267 9.374 -1.648 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.560 9.298 -0.617 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.900 10.403 -1.961 1.00 0.00 O ATOM 0 H ASP A 10 0.532 6.688 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.719 8.212 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.417 7.257 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.310 8.217 -3.123 1.00 0.00 H new ATOM 171 N ASP A 11 0.910 10.229 -4.358 1.00 0.00 N ATOM 172 CA ASP A 11 1.055 11.309 -5.330 1.00 0.00 C ATOM 173 C ASP A 11 1.964 10.904 -6.489 1.00 0.00 C ATOM 174 O ASP A 11 2.141 11.664 -7.441 1.00 0.00 O ATOM 175 CB ASP A 11 1.624 12.554 -4.651 1.00 0.00 C ATOM 176 CG ASP A 11 0.565 13.364 -3.931 1.00 0.00 C ATOM 177 OD1 ASP A 11 -0.041 14.247 -4.570 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.344 13.118 -2.727 1.00 0.00 O ATOM 0 H ASP A 11 1.319 10.426 -3.445 1.00 0.00 H new ATOM 0 HA ASP A 11 0.065 11.526 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.393 12.255 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.109 13.181 -5.399 1.00 0.00 H new ATOM 183 N ASP A 12 2.523 9.699 -6.417 1.00 0.00 N ATOM 184 CA ASP A 12 3.391 9.196 -7.471 1.00 0.00 C ATOM 185 C ASP A 12 4.633 10.083 -7.645 1.00 0.00 C ATOM 186 O ASP A 12 5.152 10.627 -6.671 1.00 0.00 O ATOM 187 CB ASP A 12 2.594 9.093 -8.775 1.00 0.00 C ATOM 188 CG ASP A 12 3.026 7.916 -9.627 1.00 0.00 C ATOM 189 OD1 ASP A 12 4.161 7.941 -10.146 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.227 6.967 -9.778 1.00 0.00 O ATOM 0 H ASP A 12 2.389 9.054 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 12 3.748 8.204 -7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.533 8.999 -8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.715 10.014 -9.345 1.00 0.00 H new ATOM 195 N SER A 13 5.095 10.228 -8.894 1.00 0.00 N ATOM 196 CA SER A 13 6.260 11.045 -9.224 1.00 0.00 C ATOM 197 C SER A 13 7.319 11.053 -8.116 1.00 0.00 C ATOM 198 O SER A 13 8.212 10.207 -8.096 1.00 0.00 O ATOM 199 CB SER A 13 5.793 12.456 -9.566 1.00 0.00 C ATOM 200 OG SER A 13 6.726 13.115 -10.404 1.00 0.00 O ATOM 0 H SER A 13 4.667 9.779 -9.703 1.00 0.00 H new ATOM 0 HA SER A 13 6.753 10.602 -10.089 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.823 12.411 -10.062 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.656 13.029 -8.649 1.00 0.00 H new ATOM 0 HG SER A 13 6.401 14.017 -10.609 1.00 0.00 H new ATOM 206 N SER A 14 7.221 12.010 -7.205 1.00 0.00 N ATOM 207 CA SER A 14 8.176 12.124 -6.108 1.00 0.00 C ATOM 208 C SER A 14 8.252 10.828 -5.305 1.00 0.00 C ATOM 209 O SER A 14 9.335 10.284 -5.089 1.00 0.00 O ATOM 210 CB SER A 14 7.791 13.285 -5.187 1.00 0.00 C ATOM 211 OG SER A 14 8.388 14.496 -5.615 1.00 0.00 O ATOM 0 H SER A 14 6.489 12.721 -7.202 1.00 0.00 H new ATOM 0 HA SER A 14 9.158 12.318 -6.539 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.707 13.396 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.104 13.063 -4.167 1.00 0.00 H new ATOM 0 HG SER A 14 8.125 15.222 -5.011 1.00 0.00 H new ATOM 217 N ILE A 15 7.099 10.334 -4.865 1.00 0.00 N ATOM 218 CA ILE A 15 7.046 9.103 -4.083 1.00 0.00 C ATOM 219 C ILE A 15 7.530 7.913 -4.898 1.00 0.00 C ATOM 220 O ILE A 15 8.091 6.961 -4.357 1.00 0.00 O ATOM 221 CB ILE A 15 5.622 8.811 -3.570 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.024 10.056 -2.912 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.642 7.643 -2.592 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.774 10.506 -1.677 1.00 0.00 C ATOM 0 H ILE A 15 6.191 10.766 -5.036 1.00 0.00 H new ATOM 0 HA ILE A 15 7.705 9.251 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 15 4.995 8.539 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.012 10.870 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.987 9.853 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.630 7.448 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.029 6.756 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.282 7.889 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.295 11.393 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.764 9.708 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.805 10.741 -1.943 1.00 0.00 H new ATOM 236 N ARG A 16 7.294 7.971 -6.198 1.00 0.00 N ATOM 237 CA ARG A 16 7.691 6.893 -7.097 1.00 0.00 C ATOM 238 C ARG A 16 9.201 6.869 -7.316 1.00 0.00 C ATOM 239 O ARG A 16 9.846 5.840 -7.120 1.00 0.00 O ATOM 240 CB ARG A 16 6.977 7.041 -8.441 1.00 0.00 C ATOM 241 CG ARG A 16 7.290 5.920 -9.422 1.00 0.00 C ATOM 242 CD ARG A 16 7.616 6.461 -10.807 1.00 0.00 C ATOM 243 NE ARG A 16 6.572 6.156 -11.785 1.00 0.00 N ATOM 244 CZ ARG A 16 6.500 6.725 -12.987 1.00 0.00 C ATOM 245 NH1 ARG A 16 7.403 7.625 -13.357 1.00 0.00 N ATOM 246 NH2 ARG A 16 5.525 6.394 -13.824 1.00 0.00 N ATOM 0 H ARG A 16 6.829 8.754 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 16 7.403 5.951 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.901 7.073 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.257 7.994 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.133 5.336 -9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.438 5.244 -9.486 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.752 7.541 -10.749 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.562 6.038 -11.146 1.00 0.00 H new ATOM 0 HE ARG A 16 5.860 5.470 -11.533 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.156 7.884 -12.720 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.344 8.058 -14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.828 5.702 -13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.472 6.831 -14.744 1.00 0.00 H new ATOM 260 N TRP A 17 9.760 7.998 -7.742 1.00 0.00 N ATOM 261 CA TRP A 17 11.194 8.090 -8.009 1.00 0.00 C ATOM 262 C TRP A 17 12.027 7.587 -6.836 1.00 0.00 C ATOM 263 O TRP A 17 13.027 6.887 -7.024 1.00 0.00 O ATOM 264 CB TRP A 17 11.598 9.528 -8.334 1.00 0.00 C ATOM 265 CG TRP A 17 13.015 9.642 -8.811 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.497 9.277 -10.034 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.136 10.143 -8.072 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.846 9.524 -10.104 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.262 10.055 -8.913 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.297 10.660 -6.783 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.530 10.465 -8.507 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.556 11.066 -6.381 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.658 10.967 -7.241 1.00 0.00 C ATOM 0 H TRP A 17 9.244 8.861 -7.910 1.00 0.00 H new ATOM 0 HA TRP A 17 11.392 7.452 -8.870 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.930 9.924 -9.099 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.468 10.146 -7.446 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.904 8.855 -10.832 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.441 9.341 -10.912 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.453 10.741 -6.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.381 10.389 -9.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.693 11.466 -5.387 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.628 11.294 -6.897 1.00 0.00 H new ATOM 284 N VAL A 18 11.634 7.960 -5.629 1.00 0.00 N ATOM 285 CA VAL A 18 12.379 7.554 -4.449 1.00 0.00 C ATOM 286 C VAL A 18 12.276 6.056 -4.195 1.00 0.00 C ATOM 287 O VAL A 18 13.276 5.342 -4.208 1.00 0.00 O ATOM 288 CB VAL A 18 11.915 8.292 -3.175 1.00 0.00 C ATOM 289 CG1 VAL A 18 13.022 8.290 -2.134 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.472 9.720 -3.475 1.00 0.00 C ATOM 0 H VAL A 18 10.814 8.536 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 18 13.415 7.820 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 18 11.051 7.757 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.682 8.814 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.278 7.262 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.901 8.793 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.153 10.204 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.304 10.276 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.642 9.703 -4.181 1.00 0.00 H new ATOM 300 N LEU A 19 11.066 5.596 -3.935 1.00 0.00 N ATOM 301 CA LEU A 19 10.821 4.187 -3.631 1.00 0.00 C ATOM 302 C LEU A 19 11.106 3.262 -4.818 1.00 0.00 C ATOM 303 O LEU A 19 11.346 2.072 -4.629 1.00 0.00 O ATOM 304 CB LEU A 19 9.386 3.997 -3.122 1.00 0.00 C ATOM 305 CG LEU A 19 9.227 3.998 -1.604 1.00 0.00 C ATOM 306 CD1 LEU A 19 7.758 3.842 -1.243 1.00 0.00 C ATOM 307 CD2 LEU A 19 10.076 2.895 -0.975 1.00 0.00 C ATOM 0 H LEU A 19 10.228 6.178 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 19 11.522 3.903 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.763 4.790 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.002 3.054 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 19 9.580 4.949 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.648 3.843 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.189 4.670 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.383 2.901 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.950 2.911 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.760 1.927 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 19 11.125 3.059 -1.220 1.00 0.00 H new ATOM 319 N GLU A 20 11.088 3.789 -6.034 1.00 0.00 N ATOM 320 CA GLU A 20 11.360 2.957 -7.207 1.00 0.00 C ATOM 321 C GLU A 20 12.808 2.488 -7.226 1.00 0.00 C ATOM 322 O GLU A 20 13.088 1.290 -7.291 1.00 0.00 O ATOM 323 CB GLU A 20 11.022 3.684 -8.517 1.00 0.00 C ATOM 324 CG GLU A 20 11.980 4.794 -8.915 1.00 0.00 C ATOM 325 CD GLU A 20 11.600 5.444 -10.230 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.440 5.282 -10.655 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.463 6.113 -10.833 1.00 0.00 O ATOM 0 H GLU A 20 10.892 4.769 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 20 10.711 2.084 -7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.990 2.950 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.021 4.106 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.999 5.551 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.989 4.389 -8.992 1.00 0.00 H new ATOM 334 N ARG A 21 13.726 3.437 -7.195 1.00 0.00 N ATOM 335 CA ARG A 21 15.145 3.116 -7.239 1.00 0.00 C ATOM 336 C ARG A 21 15.682 2.627 -5.896 1.00 0.00 C ATOM 337 O ARG A 21 16.398 1.626 -5.838 1.00 0.00 O ATOM 338 CB ARG A 21 15.951 4.326 -7.719 1.00 0.00 C ATOM 339 CG ARG A 21 15.612 4.754 -9.138 1.00 0.00 C ATOM 340 CD ARG A 21 16.776 4.526 -10.094 1.00 0.00 C ATOM 341 NE ARG A 21 18.027 5.107 -9.600 1.00 0.00 N ATOM 342 CZ ARG A 21 19.000 4.405 -9.017 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.871 3.098 -8.832 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.106 5.012 -8.611 1.00 0.00 N ATOM 0 H ARG A 21 13.518 4.434 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 21 15.260 2.296 -7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.774 5.163 -7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.014 4.091 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.742 4.198 -9.487 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.339 5.809 -9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.912 3.455 -10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.536 4.960 -11.065 1.00 0.00 H new ATOM 0 HE ARG A 21 18.163 6.112 -9.709 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.022 2.621 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.621 2.570 -8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.214 6.017 -8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.849 4.474 -8.165 1.00 0.00 H new ATOM 358 N ALA A 22 15.357 3.332 -4.818 1.00 0.00 N ATOM 359 CA ALA A 22 15.839 2.947 -3.494 1.00 0.00 C ATOM 360 C ALA A 22 15.441 1.527 -3.143 1.00 0.00 C ATOM 361 O ALA A 22 16.294 0.683 -2.875 1.00 0.00 O ATOM 362 CB ALA A 22 15.349 3.917 -2.434 1.00 0.00 C ATOM 0 H ALA A 22 14.768 4.165 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 22 16.928 2.988 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.722 3.608 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.714 4.919 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.259 3.922 -2.421 1.00 0.00 H new ATOM 368 N LEU A 23 14.148 1.265 -3.152 1.00 0.00 N ATOM 369 CA LEU A 23 13.659 -0.068 -2.838 1.00 0.00 C ATOM 370 C LEU A 23 14.206 -1.067 -3.850 1.00 0.00 C ATOM 371 O LEU A 23 14.426 -2.237 -3.532 1.00 0.00 O ATOM 372 CB LEU A 23 12.128 -0.105 -2.812 1.00 0.00 C ATOM 373 CG LEU A 23 11.492 -0.349 -1.441 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.984 -0.497 -1.585 1.00 0.00 C ATOM 375 CD2 LEU A 23 12.089 -1.582 -0.778 1.00 0.00 C ATOM 0 H LEU A 23 13.422 1.948 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 23 14.010 -0.341 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.754 0.841 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.790 -0.886 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 23 11.702 0.510 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.540 -0.670 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.568 0.414 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.762 -1.341 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.621 -1.735 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.912 -2.455 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.162 -1.441 -0.646 1.00 0.00 H new ATOM 387 N ALA A 24 14.454 -0.590 -5.070 1.00 0.00 N ATOM 388 CA ALA A 24 15.010 -1.445 -6.107 1.00 0.00 C ATOM 389 C ALA A 24 16.372 -1.958 -5.658 1.00 0.00 C ATOM 390 O ALA A 24 16.746 -3.094 -5.948 1.00 0.00 O ATOM 391 CB ALA A 24 15.117 -0.703 -7.437 1.00 0.00 C ATOM 0 H ALA A 24 14.280 0.373 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 24 14.341 -2.292 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.536 -1.368 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.126 -0.375 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.765 0.165 -7.318 1.00 0.00 H new ATOM 397 N GLY A 25 17.098 -1.117 -4.916 1.00 0.00 N ATOM 398 CA GLY A 25 18.398 -1.510 -4.403 1.00 0.00 C ATOM 399 C GLY A 25 18.275 -2.605 -3.362 1.00 0.00 C ATOM 400 O GLY A 25 19.209 -3.377 -3.145 1.00 0.00 O ATOM 0 H GLY A 25 16.806 -0.173 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.025 -1.856 -5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.895 -0.644 -3.965 1.00 0.00 H new ATOM 404 N ALA A 26 17.110 -2.672 -2.715 1.00 0.00 N ATOM 405 CA ALA A 26 16.853 -3.678 -1.697 1.00 0.00 C ATOM 406 C ALA A 26 16.563 -5.034 -2.338 1.00 0.00 C ATOM 407 O ALA A 26 16.616 -6.068 -1.673 1.00 0.00 O ATOM 408 CB ALA A 26 15.691 -3.247 -0.811 1.00 0.00 C ATOM 0 H ALA A 26 16.330 -2.036 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 26 17.745 -3.778 -1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.509 -4.009 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.935 -2.303 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.796 -3.121 -1.420 1.00 0.00 H new ATOM 414 N GLY A 27 16.273 -5.023 -3.640 1.00 0.00 N ATOM 415 CA GLY A 27 16.000 -6.257 -4.351 1.00 0.00 C ATOM 416 C GLY A 27 14.528 -6.497 -4.617 1.00 0.00 C ATOM 417 O GLY A 27 14.108 -7.643 -4.780 1.00 0.00 O ATOM 0 H GLY A 27 16.223 -4.180 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.534 -6.244 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.396 -7.093 -3.775 1.00 0.00 H new ATOM 421 N LEU A 28 13.737 -5.430 -4.671 1.00 0.00 N ATOM 422 CA LEU A 28 12.314 -5.571 -4.930 1.00 0.00 C ATOM 423 C LEU A 28 11.873 -4.706 -6.103 1.00 0.00 C ATOM 424 O LEU A 28 12.625 -3.863 -6.590 1.00 0.00 O ATOM 425 CB LEU A 28 11.497 -5.216 -3.684 1.00 0.00 C ATOM 426 CG LEU A 28 12.239 -5.374 -2.357 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.949 -4.088 -1.996 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.283 -5.796 -1.249 1.00 0.00 C ATOM 0 H LEU A 28 14.055 -4.470 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 28 12.132 -6.614 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.158 -4.184 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.606 -5.843 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 28 12.986 -6.159 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.473 -4.215 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.667 -3.837 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.219 -3.284 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.834 -5.902 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.508 -5.039 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.823 -6.749 -1.509 1.00 0.00 H new ATOM 440 N THR A 29 10.636 -4.918 -6.539 1.00 0.00 N ATOM 441 CA THR A 29 10.064 -4.156 -7.642 1.00 0.00 C ATOM 442 C THR A 29 9.094 -3.120 -7.094 1.00 0.00 C ATOM 443 O THR A 29 7.999 -3.460 -6.648 1.00 0.00 O ATOM 444 CB THR A 29 9.340 -5.089 -8.621 1.00 0.00 C ATOM 445 OG1 THR A 29 10.256 -5.962 -9.261 1.00 0.00 O ATOM 446 CG2 THR A 29 8.573 -4.353 -9.703 1.00 0.00 C ATOM 0 H THR A 29 10.007 -5.616 -6.142 1.00 0.00 H new ATOM 0 HA THR A 29 10.868 -3.652 -8.179 1.00 0.00 H new ATOM 0 HB THR A 29 8.629 -5.644 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.772 -6.548 -9.879 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.086 -5.075 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.819 -3.714 -9.244 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.262 -3.741 -10.285 1.00 0.00 H new ATOM 454 N CYS A 30 9.508 -1.858 -7.109 1.00 0.00 N ATOM 455 CA CYS A 30 8.673 -0.785 -6.589 1.00 0.00 C ATOM 456 C CYS A 30 8.034 0.037 -7.703 1.00 0.00 C ATOM 457 O CYS A 30 8.717 0.766 -8.424 1.00 0.00 O ATOM 458 CB CYS A 30 9.481 0.124 -5.674 1.00 0.00 C ATOM 459 SG CYS A 30 8.453 1.060 -4.525 1.00 0.00 S ATOM 0 H CYS A 30 10.411 -1.555 -7.473 1.00 0.00 H new ATOM 0 HA CYS A 30 7.870 -1.253 -6.019 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.193 -0.478 -5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.062 0.818 -6.281 1.00 0.00 H new ATOM 0 HG CYS A 30 8.116 2.192 -5.068 1.00 0.00 H new ATOM 465 N THR A 31 6.715 -0.068 -7.812 1.00 0.00 N ATOM 466 CA THR A 31 5.958 0.682 -8.802 1.00 0.00 C ATOM 467 C THR A 31 4.910 1.508 -8.069 1.00 0.00 C ATOM 468 O THR A 31 4.547 1.184 -6.939 1.00 0.00 O ATOM 469 CB THR A 31 5.299 -0.252 -9.827 1.00 0.00 C ATOM 470 OG1 THR A 31 4.993 0.456 -11.014 1.00 0.00 O ATOM 471 CG2 THR A 31 4.010 -0.875 -9.338 1.00 0.00 C ATOM 0 H THR A 31 6.145 -0.672 -7.220 1.00 0.00 H new ATOM 0 HA THR A 31 6.630 1.336 -9.358 1.00 0.00 H new ATOM 0 HB THR A 31 6.026 -1.045 -10.000 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.575 -0.152 -11.659 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.601 -1.522 -10.114 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.207 -1.463 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.291 -0.089 -9.105 1.00 0.00 H new ATOM 479 N THR A 32 4.443 2.586 -8.681 1.00 0.00 N ATOM 480 CA THR A 32 3.466 3.440 -8.024 1.00 0.00 C ATOM 481 C THR A 32 2.234 3.679 -8.887 1.00 0.00 C ATOM 482 O THR A 32 2.275 3.537 -10.110 1.00 0.00 O ATOM 483 CB THR A 32 4.123 4.764 -7.643 1.00 0.00 C ATOM 484 OG1 THR A 32 4.442 5.519 -8.800 1.00 0.00 O ATOM 485 CG2 THR A 32 5.403 4.575 -6.851 1.00 0.00 C ATOM 0 H THR A 32 4.719 2.887 -9.616 1.00 0.00 H new ATOM 0 HA THR A 32 3.123 2.929 -7.125 1.00 0.00 H new ATOM 0 HB THR A 32 3.395 5.288 -7.023 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.398 4.941 -9.590 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.827 5.549 -6.607 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.185 4.034 -5.931 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.118 4.006 -7.445 1.00 0.00 H new ATOM 493 N PHE A 33 1.133 4.039 -8.230 1.00 0.00 N ATOM 494 CA PHE A 33 -0.123 4.295 -8.920 1.00 0.00 C ATOM 495 C PHE A 33 -0.812 5.562 -8.398 1.00 0.00 C ATOM 496 O PHE A 33 -0.380 6.157 -7.409 1.00 0.00 O ATOM 497 CB PHE A 33 -1.061 3.102 -8.785 1.00 0.00 C ATOM 498 CG PHE A 33 -0.411 1.764 -8.992 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.598 1.305 -8.154 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.831 0.955 -10.030 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.174 0.061 -8.361 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.267 -0.283 -10.237 1.00 0.00 C ATOM 503 CZ PHE A 33 0.736 -0.735 -9.408 1.00 0.00 C ATOM 0 H PHE A 33 1.089 4.159 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 33 0.113 4.450 -9.973 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.511 3.122 -7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.872 3.212 -9.505 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.936 1.922 -7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.614 1.299 -10.689 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.961 -0.287 -7.709 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.612 -0.902 -11.052 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.179 -1.706 -9.573 1.00 0.00 H new ATOM 513 N GLU A 34 -1.879 5.969 -9.094 1.00 0.00 N ATOM 514 CA GLU A 34 -2.642 7.172 -8.746 1.00 0.00 C ATOM 515 C GLU A 34 -3.330 7.068 -7.384 1.00 0.00 C ATOM 516 O GLU A 34 -3.241 7.977 -6.559 1.00 0.00 O ATOM 517 CB GLU A 34 -3.681 7.463 -9.848 1.00 0.00 C ATOM 518 CG GLU A 34 -5.096 6.906 -9.607 1.00 0.00 C ATOM 519 CD GLU A 34 -5.576 6.004 -10.723 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.342 6.341 -11.902 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.187 4.954 -10.414 1.00 0.00 O ATOM 0 H GLU A 34 -2.237 5.475 -9.912 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.932 7.996 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.754 8.543 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.308 7.057 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.107 6.351 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.793 7.737 -9.494 1.00 0.00 H new ATOM 528 N ASN A 35 -4.038 5.973 -7.170 1.00 0.00 N ATOM 529 CA ASN A 35 -4.766 5.765 -5.938 1.00 0.00 C ATOM 530 C ASN A 35 -5.119 4.295 -5.793 1.00 0.00 C ATOM 531 O ASN A 35 -4.978 3.528 -6.744 1.00 0.00 O ATOM 532 CB ASN A 35 -6.025 6.628 -5.914 1.00 0.00 C ATOM 533 CG ASN A 35 -6.285 7.227 -4.546 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.555 8.110 -4.092 1.00 0.00 O ATOM 535 ND2 ASN A 35 -7.326 6.747 -3.879 1.00 0.00 N ATOM 0 H ASN A 35 -4.122 5.210 -7.842 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.138 6.059 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.928 7.429 -6.647 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.882 6.025 -6.213 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.549 7.109 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.904 6.016 -4.293 1.00 0.00 H new ATOM 542 N GLY A 36 -5.552 3.897 -4.599 1.00 0.00 N ATOM 543 CA GLY A 36 -5.888 2.505 -4.367 1.00 0.00 C ATOM 544 C GLY A 36 -6.674 1.892 -5.513 1.00 0.00 C ATOM 545 O GLY A 36 -6.594 0.686 -5.742 1.00 0.00 O ATOM 0 H GLY A 36 -5.675 4.510 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.972 1.935 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.470 2.424 -3.449 1.00 0.00 H new ATOM 549 N ASN A 37 -7.425 2.727 -6.240 1.00 0.00 N ATOM 550 CA ASN A 37 -8.215 2.254 -7.377 1.00 0.00 C ATOM 551 C ASN A 37 -7.308 1.714 -8.478 1.00 0.00 C ATOM 552 O ASN A 37 -7.536 0.618 -9.003 1.00 0.00 O ATOM 553 CB ASN A 37 -9.111 3.370 -7.923 1.00 0.00 C ATOM 554 CG ASN A 37 -10.555 2.924 -8.078 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.182 3.163 -9.110 1.00 0.00 O ATOM 556 ND2 ASN A 37 -11.090 2.276 -7.049 1.00 0.00 N ATOM 0 H ASN A 37 -7.501 3.728 -6.061 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.854 1.443 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.068 4.229 -7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.729 3.700 -8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.057 1.955 -7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.534 2.099 -6.213 1.00 0.00 H new ATOM 563 N GLU A 38 -6.268 2.478 -8.826 1.00 0.00 N ATOM 564 CA GLU A 38 -5.339 2.047 -9.858 1.00 0.00 C ATOM 565 C GLU A 38 -4.821 0.639 -9.576 1.00 0.00 C ATOM 566 O GLU A 38 -4.884 -0.229 -10.447 1.00 0.00 O ATOM 567 CB GLU A 38 -4.156 3.001 -9.950 1.00 0.00 C ATOM 568 CG GLU A 38 -3.454 2.962 -11.300 1.00 0.00 C ATOM 569 CD GLU A 38 -3.598 4.254 -12.081 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.853 5.213 -11.789 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.454 4.306 -12.989 1.00 0.00 O ATOM 0 H GLU A 38 -6.055 3.385 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.880 2.046 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.502 4.017 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.438 2.755 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.395 2.753 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.859 2.140 -11.890 1.00 0.00 H new ATOM 578 N VAL A 39 -4.300 0.404 -8.360 1.00 0.00 N ATOM 579 CA VAL A 39 -3.779 -0.922 -8.012 1.00 0.00 C ATOM 580 C VAL A 39 -4.775 -2.011 -8.380 1.00 0.00 C ATOM 581 O VAL A 39 -4.401 -3.067 -8.885 1.00 0.00 O ATOM 582 CB VAL A 39 -3.464 -1.050 -6.510 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.791 -2.377 -6.207 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.597 0.098 -6.051 1.00 0.00 C ATOM 0 H VAL A 39 -4.230 1.100 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.857 -1.042 -8.580 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.406 -1.015 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.579 -2.442 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.451 -3.194 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.859 -2.448 -6.767 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.385 -0.009 -4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.661 0.093 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.118 1.039 -6.224 1.00 0.00 H new ATOM 594 N LEU A 40 -6.047 -1.743 -8.124 1.00 0.00 N ATOM 595 CA LEU A 40 -7.098 -2.704 -8.431 1.00 0.00 C ATOM 596 C LEU A 40 -6.965 -3.199 -9.864 1.00 0.00 C ATOM 597 O LEU A 40 -7.011 -4.399 -10.125 1.00 0.00 O ATOM 598 CB LEU A 40 -8.478 -2.080 -8.230 1.00 0.00 C ATOM 599 CG LEU A 40 -8.643 -1.246 -6.963 1.00 0.00 C ATOM 600 CD1 LEU A 40 -10.024 -0.628 -6.920 1.00 0.00 C ATOM 601 CD2 LEU A 40 -8.406 -2.096 -5.727 1.00 0.00 C ATOM 0 H LEU A 40 -6.376 -0.873 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.991 -3.548 -7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.701 -1.450 -9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.220 -2.878 -8.218 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.901 -0.447 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.129 -0.035 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.163 0.014 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.776 -1.417 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.528 -1.482 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.125 -2.915 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.394 -2.501 -5.753 1.00 0.00 H new ATOM 613 N ALA A 41 -6.801 -2.261 -10.788 1.00 0.00 N ATOM 614 CA ALA A 41 -6.663 -2.598 -12.199 1.00 0.00 C ATOM 615 C ALA A 41 -5.407 -3.418 -12.456 1.00 0.00 C ATOM 616 O ALA A 41 -5.446 -4.448 -13.127 1.00 0.00 O ATOM 617 CB ALA A 41 -6.650 -1.335 -13.043 1.00 0.00 C ATOM 0 H ALA A 41 -6.760 -1.262 -10.586 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.522 -3.207 -12.482 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.546 -1.601 -14.095 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.583 -0.790 -12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.812 -0.706 -12.744 1.00 0.00 H new ATOM 623 N ALA A 42 -4.298 -2.941 -11.926 1.00 0.00 N ATOM 624 CA ALA A 42 -3.010 -3.609 -12.093 1.00 0.00 C ATOM 625 C ALA A 42 -2.991 -4.984 -11.429 1.00 0.00 C ATOM 626 O ALA A 42 -2.436 -5.939 -11.974 1.00 0.00 O ATOM 627 CB ALA A 42 -1.897 -2.739 -11.528 1.00 0.00 C ATOM 0 H ALA A 42 -4.257 -2.086 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.850 -3.758 -13.161 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.940 -3.244 -11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.878 -1.785 -12.055 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.075 -2.564 -10.467 1.00 0.00 H new ATOM 633 N LEU A 43 -3.577 -5.074 -10.241 1.00 0.00 N ATOM 634 CA LEU A 43 -3.604 -6.330 -9.495 1.00 0.00 C ATOM 635 C LEU A 43 -4.334 -7.438 -10.243 1.00 0.00 C ATOM 636 O LEU A 43 -4.138 -8.619 -9.960 1.00 0.00 O ATOM 637 CB LEU A 43 -4.256 -6.135 -8.134 1.00 0.00 C ATOM 638 CG LEU A 43 -3.347 -5.542 -7.081 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.140 -5.199 -5.832 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.243 -6.524 -6.770 1.00 0.00 C ATOM 0 H LEU A 43 -4.040 -4.295 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.565 -6.634 -9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.125 -5.488 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.621 -7.099 -7.779 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.904 -4.619 -7.456 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.473 -4.773 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.915 -4.475 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.602 -6.103 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.584 -6.102 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.676 -7.453 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.671 -6.727 -7.675 1.00 0.00 H new ATOM 652 N ALA A 44 -5.177 -7.060 -11.189 1.00 0.00 N ATOM 653 CA ALA A 44 -5.931 -8.040 -11.959 1.00 0.00 C ATOM 654 C ALA A 44 -5.008 -9.037 -12.660 1.00 0.00 C ATOM 655 O ALA A 44 -5.461 -10.076 -13.139 1.00 0.00 O ATOM 656 CB ALA A 44 -6.823 -7.342 -12.975 1.00 0.00 C ATOM 0 H ALA A 44 -5.357 -6.089 -11.443 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.555 -8.599 -11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.380 -8.087 -13.543 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.521 -6.685 -12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.208 -6.753 -13.655 1.00 0.00 H new ATOM 662 N SER A 45 -3.716 -8.718 -12.729 1.00 0.00 N ATOM 663 CA SER A 45 -2.760 -9.594 -13.383 1.00 0.00 C ATOM 664 C SER A 45 -1.580 -9.957 -12.476 1.00 0.00 C ATOM 665 O SER A 45 -0.748 -10.785 -12.847 1.00 0.00 O ATOM 666 CB SER A 45 -2.242 -8.944 -14.672 1.00 0.00 C ATOM 667 OG SER A 45 -2.736 -9.618 -15.816 1.00 0.00 O ATOM 0 H SER A 45 -3.315 -7.864 -12.341 1.00 0.00 H new ATOM 0 HA SER A 45 -3.286 -10.519 -13.619 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.546 -7.898 -14.703 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.152 -8.960 -14.679 1.00 0.00 H new ATOM 0 HG SER A 45 -2.393 -9.184 -16.625 1.00 0.00 H new ATOM 673 N LYS A 46 -1.496 -9.339 -11.299 1.00 0.00 N ATOM 674 CA LYS A 46 -0.396 -9.618 -10.379 1.00 0.00 C ATOM 675 C LYS A 46 -0.694 -9.113 -8.969 1.00 0.00 C ATOM 676 O LYS A 46 -1.629 -8.343 -8.759 1.00 0.00 O ATOM 677 CB LYS A 46 0.891 -8.972 -10.891 1.00 0.00 C ATOM 678 CG LYS A 46 2.157 -9.696 -10.461 1.00 0.00 C ATOM 679 CD LYS A 46 3.150 -8.750 -9.800 1.00 0.00 C ATOM 680 CE LYS A 46 4.452 -8.675 -10.584 1.00 0.00 C ATOM 681 NZ LYS A 46 5.158 -7.378 -10.380 1.00 0.00 N ATOM 0 H LYS A 46 -2.168 -8.650 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.275 -10.700 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.858 -8.933 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.935 -7.942 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.900 -10.497 -9.768 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.622 -10.163 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.712 -7.755 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.354 -9.087 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.105 -9.494 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.243 -8.810 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.384 -6.957 -11.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.546 -6.730 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.038 -7.541 -9.850 1.00 0.00 H new ATOM 695 N THR A 47 0.114 -9.551 -8.005 1.00 0.00 N ATOM 696 CA THR A 47 -0.054 -9.140 -6.620 1.00 0.00 C ATOM 697 C THR A 47 1.291 -8.860 -5.954 1.00 0.00 C ATOM 698 O THR A 47 2.146 -9.741 -5.884 1.00 0.00 O ATOM 699 CB THR A 47 -0.804 -10.209 -5.825 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.047 -10.506 -6.433 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.081 -9.805 -4.390 1.00 0.00 C ATOM 0 H THR A 47 0.892 -10.192 -8.162 1.00 0.00 H new ATOM 0 HA THR A 47 -0.637 -8.219 -6.625 1.00 0.00 H new ATOM 0 HB THR A 47 -0.147 -11.079 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.511 -11.193 -5.910 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.615 -10.608 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.138 -9.616 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.689 -8.900 -4.378 1.00 0.00 H new ATOM 709 N PRO A 48 1.495 -7.637 -5.433 1.00 0.00 N ATOM 710 CA PRO A 48 2.735 -7.275 -4.757 1.00 0.00 C ATOM 711 C PRO A 48 2.766 -7.802 -3.328 1.00 0.00 C ATOM 712 O PRO A 48 1.721 -8.044 -2.723 1.00 0.00 O ATOM 713 CB PRO A 48 2.702 -5.750 -4.770 1.00 0.00 C ATOM 714 CG PRO A 48 1.251 -5.413 -4.723 1.00 0.00 C ATOM 715 CD PRO A 48 0.532 -6.522 -5.447 1.00 0.00 C ATOM 0 HA PRO A 48 3.617 -7.695 -5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.235 -5.333 -3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.175 -5.349 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.904 -5.333 -3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.060 -4.451 -5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.397 -6.790 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.272 -6.232 -6.465 1.00 0.00 H new ATOM 723 N ASP A 49 3.967 -7.991 -2.794 1.00 0.00 N ATOM 724 CA ASP A 49 4.123 -8.506 -1.438 1.00 0.00 C ATOM 725 C ASP A 49 3.811 -7.441 -0.390 1.00 0.00 C ATOM 726 O ASP A 49 3.425 -7.762 0.735 1.00 0.00 O ATOM 727 CB ASP A 49 5.543 -9.036 -1.230 1.00 0.00 C ATOM 728 CG ASP A 49 5.845 -10.231 -2.108 1.00 0.00 C ATOM 729 OD1 ASP A 49 4.931 -11.054 -2.325 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.994 -10.342 -2.578 1.00 0.00 O ATOM 0 H ASP A 49 4.844 -7.796 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 49 3.409 -9.321 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.259 -8.242 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.675 -9.314 -0.184 1.00 0.00 H new ATOM 735 N VAL A 50 3.972 -6.176 -0.754 1.00 0.00 N ATOM 736 CA VAL A 50 3.700 -5.087 0.178 1.00 0.00 C ATOM 737 C VAL A 50 3.135 -3.875 -0.551 1.00 0.00 C ATOM 738 O VAL A 50 3.877 -3.016 -1.027 1.00 0.00 O ATOM 739 CB VAL A 50 4.966 -4.695 0.957 1.00 0.00 C ATOM 740 CG1 VAL A 50 6.112 -4.412 -0.003 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.691 -3.504 1.872 1.00 0.00 C ATOM 0 H VAL A 50 4.286 -5.879 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 50 2.955 -5.442 0.890 1.00 0.00 H new ATOM 0 HB VAL A 50 5.261 -5.532 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.001 -4.136 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.321 -5.304 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.836 -3.593 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.600 -3.244 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.369 -2.652 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.907 -3.765 2.583 1.00 0.00 H new ATOM 751 N LEU A 51 1.812 -3.825 -0.638 1.00 0.00 N ATOM 752 CA LEU A 51 1.121 -2.737 -1.316 1.00 0.00 C ATOM 753 C LEU A 51 0.857 -1.553 -0.388 1.00 0.00 C ATOM 754 O LEU A 51 0.561 -1.723 0.795 1.00 0.00 O ATOM 755 CB LEU A 51 -0.199 -3.250 -1.890 1.00 0.00 C ATOM 756 CG LEU A 51 -1.080 -2.188 -2.542 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.472 -1.742 -3.858 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.480 -2.733 -2.764 1.00 0.00 C ATOM 0 H LEU A 51 1.192 -4.532 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 51 1.768 -2.383 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.020 -4.021 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.764 -3.727 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.144 -1.326 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.109 -0.984 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.518 -1.324 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.388 -2.597 -4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.099 -1.966 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.432 -3.606 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.915 -3.019 -1.806 1.00 0.00 H new ATOM 770 N LEU A 52 0.940 -0.355 -0.954 1.00 0.00 N ATOM 771 CA LEU A 52 0.689 0.877 -0.219 1.00 0.00 C ATOM 772 C LEU A 52 -0.373 1.689 -0.960 1.00 0.00 C ATOM 773 O LEU A 52 -0.342 1.758 -2.186 1.00 0.00 O ATOM 774 CB LEU A 52 1.976 1.690 -0.099 1.00 0.00 C ATOM 775 CG LEU A 52 3.054 1.106 0.815 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.422 1.187 0.139 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.071 1.841 2.149 1.00 0.00 C ATOM 0 H LEU A 52 1.183 -0.211 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 52 0.336 0.637 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.400 1.812 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.721 2.686 0.263 1.00 0.00 H new ATOM 0 HG LEU A 52 2.824 0.057 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.180 0.768 0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.401 0.622 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.662 2.229 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.843 1.415 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.282 2.897 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.100 1.738 2.634 1.00 0.00 H new ATOM 789 N SER A 53 -1.328 2.273 -0.233 1.00 0.00 N ATOM 790 CA SER A 53 -2.399 3.033 -0.880 1.00 0.00 C ATOM 791 C SER A 53 -2.675 4.396 -0.226 1.00 0.00 C ATOM 792 O SER A 53 -2.767 4.515 0.992 1.00 0.00 O ATOM 793 CB SER A 53 -3.682 2.199 -0.888 1.00 0.00 C ATOM 794 OG SER A 53 -3.878 1.566 -2.140 1.00 0.00 O ATOM 0 H SER A 53 -1.382 2.236 0.785 1.00 0.00 H new ATOM 0 HA SER A 53 -2.062 3.242 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.633 1.446 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.535 2.839 -0.664 1.00 0.00 H new ATOM 0 HG SER A 53 -4.704 1.039 -2.114 1.00 0.00 H new ATOM 800 N ASP A 54 -2.834 5.418 -1.069 1.00 0.00 N ATOM 801 CA ASP A 54 -3.132 6.773 -0.627 1.00 0.00 C ATOM 802 C ASP A 54 -4.519 6.849 -0.002 1.00 0.00 C ATOM 803 O ASP A 54 -5.266 5.869 0.008 1.00 0.00 O ATOM 804 CB ASP A 54 -3.041 7.735 -1.814 1.00 0.00 C ATOM 805 CG ASP A 54 -2.848 9.181 -1.396 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.048 9.433 -0.468 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.492 10.063 -2.005 1.00 0.00 O ATOM 0 H ASP A 54 -2.758 5.324 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.401 7.058 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.212 7.435 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.950 7.654 -2.410 1.00 0.00 H new ATOM 812 N ILE A 55 -4.850 8.017 0.530 1.00 0.00 N ATOM 813 CA ILE A 55 -6.133 8.220 1.168 1.00 0.00 C ATOM 814 C ILE A 55 -6.571 9.684 1.093 1.00 0.00 C ATOM 815 O ILE A 55 -6.471 10.424 2.071 1.00 0.00 O ATOM 816 CB ILE A 55 -6.068 7.754 2.635 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.320 8.158 3.404 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.833 8.310 3.313 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.473 7.448 4.732 1.00 0.00 C ATOM 0 H ILE A 55 -4.243 8.837 0.530 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.875 7.626 0.634 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.012 6.665 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.298 9.234 3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.196 7.952 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.803 7.971 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.943 7.960 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.864 9.399 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.386 7.786 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.528 6.372 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.616 7.674 5.366 1.00 0.00 H new ATOM 831 N ARG A 56 -7.069 10.091 -0.078 1.00 0.00 N ATOM 832 CA ARG A 56 -7.535 11.462 -0.283 1.00 0.00 C ATOM 833 C ARG A 56 -7.979 11.685 -1.732 1.00 0.00 C ATOM 834 O ARG A 56 -7.369 12.471 -2.460 1.00 0.00 O ATOM 835 CB ARG A 56 -6.440 12.473 0.087 1.00 0.00 C ATOM 836 CG ARG A 56 -6.986 13.775 0.652 1.00 0.00 C ATOM 837 CD ARG A 56 -5.884 14.654 1.218 1.00 0.00 C ATOM 838 NE ARG A 56 -6.151 15.030 2.603 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.777 16.185 3.146 1.00 0.00 C ATOM 840 NH1 ARG A 56 -5.111 17.084 2.430 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.073 16.444 4.413 1.00 0.00 N ATOM 0 H ARG A 56 -7.159 9.490 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.394 11.616 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.770 12.021 0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.844 12.692 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.516 14.317 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.712 13.555 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.932 14.126 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.787 15.553 0.609 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.655 14.366 3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.882 16.891 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.828 17.967 2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.586 15.758 4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.788 17.329 4.833 1.00 0.00 H new ATOM 855 N MET A 57 -9.050 11.004 -2.146 1.00 0.00 N ATOM 856 CA MET A 57 -9.569 11.154 -3.508 1.00 0.00 C ATOM 857 C MET A 57 -11.039 10.726 -3.600 1.00 0.00 C ATOM 858 O MET A 57 -11.914 11.560 -3.834 1.00 0.00 O ATOM 859 CB MET A 57 -8.717 10.360 -4.510 1.00 0.00 C ATOM 860 CG MET A 57 -8.260 11.183 -5.705 1.00 0.00 C ATOM 861 SD MET A 57 -6.926 10.393 -6.630 1.00 0.00 S ATOM 862 CE MET A 57 -5.824 11.781 -6.897 1.00 0.00 C ATOM 0 H MET A 57 -9.571 10.349 -1.564 1.00 0.00 H new ATOM 0 HA MET A 57 -9.511 12.212 -3.764 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.841 9.963 -3.996 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.292 9.505 -4.866 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.107 11.351 -6.370 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.927 12.162 -5.360 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.950 11.449 -7.458 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.344 12.555 -7.461 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.506 12.184 -5.935 1.00 0.00 H new ATOM 872 N PRO A 58 -11.337 9.421 -3.432 1.00 0.00 N ATOM 873 CA PRO A 58 -12.715 8.905 -3.516 1.00 0.00 C ATOM 874 C PRO A 58 -13.587 9.338 -2.342 1.00 0.00 C ATOM 875 O PRO A 58 -13.257 10.280 -1.622 1.00 0.00 O ATOM 876 CB PRO A 58 -12.524 7.390 -3.500 1.00 0.00 C ATOM 877 CG PRO A 58 -11.247 7.190 -2.769 1.00 0.00 C ATOM 878 CD PRO A 58 -10.369 8.341 -3.168 1.00 0.00 C ATOM 0 HA PRO A 58 -13.230 9.283 -4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.352 6.890 -2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.472 6.985 -4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.410 7.177 -1.691 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.789 6.237 -3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.671 8.610 -2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.774 8.108 -4.051 1.00 0.00 H new ATOM 886 N GLY A 59 -14.710 8.641 -2.166 1.00 0.00 N ATOM 887 CA GLY A 59 -15.628 8.956 -1.089 1.00 0.00 C ATOM 888 C GLY A 59 -15.016 8.777 0.292 1.00 0.00 C ATOM 889 O GLY A 59 -14.930 9.731 1.065 1.00 0.00 O ATOM 0 H GLY A 59 -14.998 7.860 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.966 9.986 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.509 8.320 -1.174 1.00 0.00 H new ATOM 893 N MET A 60 -14.591 7.551 0.609 1.00 0.00 N ATOM 894 CA MET A 60 -13.989 7.264 1.916 1.00 0.00 C ATOM 895 C MET A 60 -12.498 7.595 1.933 1.00 0.00 C ATOM 896 O MET A 60 -11.689 6.816 2.433 1.00 0.00 O ATOM 897 CB MET A 60 -14.194 5.799 2.300 1.00 0.00 C ATOM 898 CG MET A 60 -15.652 5.417 2.480 1.00 0.00 C ATOM 899 SD MET A 60 -16.097 3.916 1.587 1.00 0.00 S ATOM 900 CE MET A 60 -15.569 2.665 2.755 1.00 0.00 C ATOM 0 H MET A 60 -14.651 6.746 -0.015 1.00 0.00 H new ATOM 0 HA MET A 60 -14.491 7.899 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.753 5.165 1.531 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.657 5.596 3.226 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.858 5.277 3.541 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.283 6.238 2.138 1.00 0.00 H new ATOM 0 HE1 MET A 60 -15.777 1.676 2.347 1.00 0.00 H new ATOM 0 HE2 MET A 60 -14.499 2.765 2.936 1.00 0.00 H new ATOM 0 HE3 MET A 60 -16.109 2.792 3.693 1.00 0.00 H new ATOM 910 N ASP A 61 -12.155 8.760 1.395 1.00 0.00 N ATOM 911 CA ASP A 61 -10.769 9.229 1.351 1.00 0.00 C ATOM 912 C ASP A 61 -9.817 8.180 0.769 1.00 0.00 C ATOM 913 O ASP A 61 -9.367 8.303 -0.368 1.00 0.00 O ATOM 914 CB ASP A 61 -10.318 9.637 2.752 1.00 0.00 C ATOM 915 CG ASP A 61 -10.397 11.135 2.962 1.00 0.00 C ATOM 916 OD1 ASP A 61 -9.893 11.879 2.096 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.964 11.564 3.989 1.00 0.00 O ATOM 0 H ASP A 61 -12.825 9.406 0.978 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.734 10.093 0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.939 9.134 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.294 9.302 2.915 1.00 0.00 H new ATOM 922 N GLY A 62 -9.507 7.161 1.559 1.00 0.00 N ATOM 923 CA GLY A 62 -8.607 6.112 1.116 1.00 0.00 C ATOM 924 C GLY A 62 -9.071 4.736 1.543 1.00 0.00 C ATOM 925 O GLY A 62 -8.857 3.747 0.843 1.00 0.00 O ATOM 0 H GLY A 62 -9.866 7.041 2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.523 6.143 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.611 6.298 1.518 1.00 0.00 H new ATOM 929 N LEU A 63 -9.704 4.669 2.704 1.00 0.00 N ATOM 930 CA LEU A 63 -10.195 3.403 3.223 1.00 0.00 C ATOM 931 C LEU A 63 -11.144 2.746 2.214 1.00 0.00 C ATOM 932 O LEU A 63 -11.319 1.527 2.216 1.00 0.00 O ATOM 933 CB LEU A 63 -10.870 3.597 4.588 1.00 0.00 C ATOM 934 CG LEU A 63 -10.294 4.725 5.451 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.033 6.024 5.187 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.350 4.370 6.929 1.00 0.00 C ATOM 0 H LEU A 63 -9.889 5.474 3.303 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.347 2.734 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.930 3.792 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.799 2.663 5.146 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.247 4.857 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.612 6.815 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.930 6.294 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.089 5.897 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.935 5.189 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.386 4.201 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.770 3.465 7.108 1.00 0.00 H new ATOM 948 N ALA A 64 -11.726 3.562 1.330 1.00 0.00 N ATOM 949 CA ALA A 64 -12.622 3.059 0.290 1.00 0.00 C ATOM 950 C ALA A 64 -11.868 2.134 -0.654 1.00 0.00 C ATOM 951 O ALA A 64 -12.393 1.114 -1.103 1.00 0.00 O ATOM 952 CB ALA A 64 -13.213 4.220 -0.499 1.00 0.00 C ATOM 0 H ALA A 64 -11.591 4.573 1.316 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.428 2.502 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.879 3.834 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.775 4.868 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.409 4.790 -0.965 1.00 0.00 H new ATOM 958 N LEU A 65 -10.628 2.517 -0.954 1.00 0.00 N ATOM 959 CA LEU A 65 -9.772 1.749 -1.847 1.00 0.00 C ATOM 960 C LEU A 65 -9.560 0.350 -1.302 1.00 0.00 C ATOM 961 O LEU A 65 -9.512 -0.625 -2.050 1.00 0.00 O ATOM 962 CB LEU A 65 -8.417 2.439 -2.017 1.00 0.00 C ATOM 963 CG LEU A 65 -8.423 3.741 -2.828 1.00 0.00 C ATOM 964 CD1 LEU A 65 -9.343 3.635 -4.034 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.826 4.908 -1.945 1.00 0.00 C ATOM 0 H LEU A 65 -10.194 3.363 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.265 1.686 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.014 2.653 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.733 1.739 -2.496 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.413 3.915 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.326 4.573 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.004 2.825 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.360 3.430 -3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.826 5.826 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.825 4.733 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.117 5.004 -1.123 1.00 0.00 H new ATOM 977 N LEU A 66 -9.441 0.267 0.014 1.00 0.00 N ATOM 978 CA LEU A 66 -9.242 -1.006 0.685 1.00 0.00 C ATOM 979 C LEU A 66 -10.413 -1.935 0.388 1.00 0.00 C ATOM 980 O LEU A 66 -10.227 -3.120 0.107 1.00 0.00 O ATOM 981 CB LEU A 66 -9.100 -0.794 2.193 1.00 0.00 C ATOM 982 CG LEU A 66 -7.800 -0.106 2.642 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.594 -0.964 2.298 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.658 1.277 2.018 1.00 0.00 C ATOM 0 H LEU A 66 -9.479 1.071 0.640 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.325 -1.463 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.945 -0.199 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.168 -1.763 2.687 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.848 0.016 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.684 -0.460 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.676 -1.926 2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.555 -1.122 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.729 1.735 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.643 1.186 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.500 1.900 2.319 1.00 0.00 H new ATOM 996 N LYS A 67 -11.619 -1.382 0.437 1.00 0.00 N ATOM 997 CA LYS A 67 -12.820 -2.158 0.158 1.00 0.00 C ATOM 998 C LYS A 67 -12.735 -2.805 -1.225 1.00 0.00 C ATOM 999 O LYS A 67 -13.058 -3.978 -1.392 1.00 0.00 O ATOM 1000 CB LYS A 67 -14.062 -1.271 0.249 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.363 -2.040 0.096 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.297 -1.808 1.273 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.684 -1.402 0.810 1.00 0.00 C ATOM 1004 NZ LYS A 67 -18.480 -0.804 1.913 1.00 0.00 N ATOM 0 H LYS A 67 -11.791 -0.403 0.666 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.897 -2.947 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.063 -0.757 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.009 -0.503 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.858 -1.737 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.148 -3.105 0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.363 -2.717 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.886 -1.031 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.599 -0.686 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.206 -2.274 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.421 -0.539 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.582 -1.496 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.995 0.043 2.272 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.292 -2.033 -2.215 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.157 -2.536 -3.580 1.00 0.00 C ATOM 1020 C GLN A 68 -11.125 -3.654 -3.654 1.00 0.00 C ATOM 1021 O GLN A 68 -11.296 -4.632 -4.383 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.722 -1.414 -4.521 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.739 -0.296 -4.672 1.00 0.00 C ATOM 1024 CD GLN A 68 -12.156 1.075 -4.394 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -10.993 1.335 -4.691 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -12.965 1.963 -3.826 1.00 0.00 N ATOM 0 H GLN A 68 -12.020 -1.057 -2.097 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.131 -2.922 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.786 -0.991 -4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.517 -1.839 -5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.144 -0.314 -5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -13.572 -0.475 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.925 1.705 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.626 2.903 -3.620 1.00 0.00 H new ATOM 1035 N ILE A 69 -10.045 -3.480 -2.909 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.952 -4.442 -2.884 1.00 0.00 C ATOM 1037 C ILE A 69 -9.432 -5.829 -2.473 1.00 0.00 C ATOM 1038 O ILE A 69 -9.161 -6.819 -3.151 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.832 -3.953 -1.936 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.212 -2.666 -2.484 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.755 -5.014 -1.738 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.496 -1.850 -1.428 1.00 0.00 C ATOM 0 H ILE A 69 -9.900 -2.670 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.553 -4.520 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.280 -3.755 -0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.508 -2.919 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.995 -2.057 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.987 -4.632 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.202 -5.910 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.306 -5.260 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.080 -0.951 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.201 -1.568 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.691 -2.443 -0.994 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.140 -5.886 -1.364 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.662 -7.149 -0.848 1.00 0.00 C ATOM 1056 C LYS A 70 -11.690 -7.757 -1.799 1.00 0.00 C ATOM 1057 O LYS A 70 -11.937 -8.963 -1.776 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.301 -6.937 0.524 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.497 -6.001 0.497 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.744 -6.660 1.066 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.590 -7.302 -0.024 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.884 -6.588 -0.218 1.00 0.00 N ATOM 0 H LYS A 70 -10.372 -5.072 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.824 -7.840 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.614 -7.902 0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.552 -6.537 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.268 -5.102 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.689 -5.686 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.455 -7.417 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.338 -5.916 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.033 -7.305 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.785 -8.343 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.430 -7.057 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.427 -6.607 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.699 -5.601 -0.489 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.298 -6.909 -2.616 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.321 -7.346 -3.563 1.00 0.00 C ATOM 1078 C GLN A 71 -12.761 -8.292 -4.620 1.00 0.00 C ATOM 1079 O GLN A 71 -13.330 -9.353 -4.885 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.967 -6.134 -4.235 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.476 -6.076 -4.058 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.967 -4.697 -3.665 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.891 -4.157 -4.271 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.344 -4.118 -2.644 1.00 0.00 N ATOM 0 H GLN A 71 -12.101 -5.909 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.073 -7.896 -2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.526 -5.224 -3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.734 -6.152 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.958 -6.377 -4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.776 -6.795 -3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.582 -4.603 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.628 -3.189 -2.334 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.663 -7.890 -5.233 1.00 0.00 N ATOM 1094 CA ARG A 72 -11.036 -8.688 -6.283 1.00 0.00 C ATOM 1095 C ARG A 72 -9.851 -9.498 -5.768 1.00 0.00 C ATOM 1096 O ARG A 72 -9.444 -10.476 -6.395 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.587 -7.788 -7.434 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.746 -7.212 -8.230 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.323 -6.001 -9.046 1.00 0.00 C ATOM 1100 NE ARG A 72 -12.224 -5.761 -10.173 1.00 0.00 N ATOM 1101 CZ ARG A 72 -12.512 -4.551 -10.652 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -11.964 -3.469 -10.114 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -13.350 -4.423 -11.673 1.00 0.00 N ATOM 0 H ARG A 72 -11.182 -7.015 -5.025 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.786 -9.395 -6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.987 -6.970 -7.035 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.943 -8.359 -8.103 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.146 -7.977 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.549 -6.929 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.302 -5.120 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.309 -6.149 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.658 -6.569 -10.619 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.318 -3.561 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.188 -2.546 -10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.774 -5.251 -12.092 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.570 -3.497 -12.039 1.00 0.00 H new ATOM 1117 N HIS A 73 -9.288 -9.091 -4.638 1.00 0.00 N ATOM 1118 CA HIS A 73 -8.140 -9.795 -4.073 1.00 0.00 C ATOM 1119 C HIS A 73 -8.480 -10.401 -2.712 1.00 0.00 C ATOM 1120 O HIS A 73 -9.276 -9.846 -1.955 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.948 -8.841 -3.959 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.943 -7.792 -5.028 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.832 -8.088 -6.371 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -7.075 -6.448 -4.950 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.897 -6.970 -7.072 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -7.044 -5.960 -6.234 1.00 0.00 N ATOM 0 H HIS A 73 -9.602 -8.285 -4.097 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.874 -10.614 -4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.966 -8.358 -2.982 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.023 -9.414 -4.014 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.718 -9.023 -6.761 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.184 -5.867 -4.046 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.840 -6.895 -8.148 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.884 -11.562 -2.386 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.137 -12.247 -1.115 1.00 0.00 C ATOM 1137 C PRO A 74 -7.794 -11.385 0.099 1.00 0.00 C ATOM 1138 O PRO A 74 -8.685 -10.862 0.768 1.00 0.00 O ATOM 1139 CB PRO A 74 -7.228 -13.483 -1.172 1.00 0.00 C ATOM 1140 CG PRO A 74 -6.231 -13.194 -2.244 1.00 0.00 C ATOM 1141 CD PRO A 74 -6.931 -12.302 -3.230 1.00 0.00 C ATOM 0 HA PRO A 74 -9.193 -12.489 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.736 -13.653 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.801 -14.382 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.348 -12.705 -1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.893 -14.114 -2.721 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.234 -11.633 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.439 -12.876 -4.005 1.00 0.00 H new ATOM 1149 N MET A 75 -6.501 -11.244 0.385 1.00 0.00 N ATOM 1150 CA MET A 75 -6.055 -10.450 1.524 1.00 0.00 C ATOM 1151 C MET A 75 -4.689 -9.821 1.254 1.00 0.00 C ATOM 1152 O MET A 75 -3.733 -10.034 2.000 1.00 0.00 O ATOM 1153 CB MET A 75 -5.999 -11.323 2.780 1.00 0.00 C ATOM 1154 CG MET A 75 -7.369 -11.632 3.364 1.00 0.00 C ATOM 1155 SD MET A 75 -7.284 -12.209 5.070 1.00 0.00 S ATOM 1156 CE MET A 75 -6.401 -10.854 5.839 1.00 0.00 C ATOM 0 H MET A 75 -5.747 -11.668 -0.155 1.00 0.00 H new ATOM 0 HA MET A 75 -6.771 -9.644 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.495 -12.259 2.540 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.395 -10.821 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.989 -10.737 3.318 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.858 -12.390 2.752 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.655 -10.808 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.328 -11.011 5.730 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.682 -9.917 5.358 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.614 -9.038 0.180 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.380 -8.360 -0.202 1.00 0.00 C ATOM 1168 C LEU A 76 -3.006 -7.302 0.827 1.00 0.00 C ATOM 1169 O LEU A 76 -3.761 -6.357 1.041 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.558 -7.689 -1.568 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.272 -7.325 -2.302 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.618 -6.576 -3.571 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.352 -6.489 -1.423 1.00 0.00 C ATOM 0 H LEU A 76 -5.400 -8.857 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.584 -9.103 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.142 -8.354 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.146 -6.781 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.739 -8.242 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.702 -6.313 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.237 -7.207 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.165 -5.667 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.444 -6.246 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.860 -5.568 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.092 -7.054 -0.528 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.842 -7.431 1.483 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.412 -6.450 2.479 1.00 0.00 C ATOM 1187 C PRO A 77 -1.304 -5.048 1.888 1.00 0.00 C ATOM 1188 O PRO A 77 -0.474 -4.787 1.018 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.034 -6.951 2.920 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.020 -8.397 2.563 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.862 -8.521 1.324 1.00 0.00 C ATOM 0 HA PRO A 77 -2.124 -6.367 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.764 -6.411 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.115 -6.807 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.997 -8.745 2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.425 -9.004 3.373 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.268 -8.402 0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.347 -9.495 1.261 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.146 -4.157 2.381 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.177 -2.772 1.943 1.00 0.00 C ATOM 1201 C VAL A 78 -1.689 -1.861 3.055 1.00 0.00 C ATOM 1202 O VAL A 78 -1.862 -2.158 4.239 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.600 -2.318 1.558 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.549 -1.041 0.737 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.347 -3.413 0.812 1.00 0.00 C ATOM 0 H VAL A 78 -2.833 -4.376 3.102 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.530 -2.706 1.068 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.148 -2.114 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.562 -0.736 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.072 -0.253 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.976 -1.216 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.346 -3.062 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.806 -3.667 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.425 -4.297 1.445 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.094 -0.748 2.672 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.595 0.215 3.636 1.00 0.00 C ATOM 1217 C ILE A 79 -0.948 1.626 3.192 1.00 0.00 C ATOM 1218 O ILE A 79 -0.488 2.089 2.150 1.00 0.00 O ATOM 1219 CB ILE A 79 0.928 0.108 3.795 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.363 -1.340 4.016 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.409 0.987 4.933 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.466 -1.765 3.078 1.00 0.00 C ATOM 0 H ILE A 79 -0.944 -0.487 1.697 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.063 -0.004 4.596 1.00 0.00 H new ATOM 0 HB ILE A 79 1.385 0.457 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.700 -1.461 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.504 -1.998 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.491 0.897 5.030 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.148 2.025 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.934 0.672 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.736 -2.802 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.123 -1.673 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.337 -1.128 3.229 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.779 2.305 3.968 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.197 3.655 3.615 1.00 0.00 C ATOM 1236 C ILE A 80 -1.301 4.709 4.258 1.00 0.00 C ATOM 1237 O ILE A 80 -0.715 4.482 5.310 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.678 3.905 3.991 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.535 2.702 3.583 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.207 5.175 3.340 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.587 2.473 2.086 1.00 0.00 C ATOM 0 H ILE A 80 -2.175 1.949 4.838 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.099 3.744 2.533 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.735 4.034 5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.143 1.807 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.549 2.846 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.249 5.322 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.616 6.028 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.135 5.085 2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.211 1.605 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.008 3.352 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.579 2.297 1.710 1.00 0.00 H new ATOM 1253 N MET A 81 -1.181 5.852 3.585 1.00 0.00 N ATOM 1254 CA MET A 81 -0.328 6.948 4.054 1.00 0.00 C ATOM 1255 C MET A 81 -0.992 7.762 5.163 1.00 0.00 C ATOM 1256 O MET A 81 -0.306 8.364 5.984 1.00 0.00 O ATOM 1257 CB MET A 81 0.063 7.889 2.903 1.00 0.00 C ATOM 1258 CG MET A 81 -0.688 7.647 1.601 1.00 0.00 C ATOM 1259 SD MET A 81 -0.089 6.197 0.696 1.00 0.00 S ATOM 1260 CE MET A 81 1.636 6.612 0.463 1.00 0.00 C ATOM 0 H MET A 81 -1.665 6.046 2.709 1.00 0.00 H new ATOM 0 HA MET A 81 0.570 6.480 4.458 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.108 8.918 3.219 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.132 7.786 2.715 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.749 7.520 1.818 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.596 8.528 0.966 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.082 5.924 -0.255 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.717 7.632 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.161 6.533 1.415 1.00 0.00 H new ATOM 1270 N THR A 82 -2.318 7.784 5.176 1.00 0.00 N ATOM 1271 CA THR A 82 -3.063 8.531 6.186 1.00 0.00 C ATOM 1272 C THR A 82 -4.321 7.756 6.567 1.00 0.00 C ATOM 1273 O THR A 82 -4.644 6.752 5.933 1.00 0.00 O ATOM 1274 CB THR A 82 -3.411 9.931 5.673 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.331 10.476 4.933 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.728 10.907 6.789 1.00 0.00 C ATOM 0 H THR A 82 -2.902 7.293 4.499 1.00 0.00 H new ATOM 0 HA THR A 82 -2.443 8.651 7.075 1.00 0.00 H new ATOM 0 HB THR A 82 -4.296 9.802 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.391 10.180 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.967 11.882 6.363 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.581 10.542 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.864 11.000 7.447 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.020 8.196 7.609 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.222 7.493 8.050 1.00 0.00 C ATOM 1286 C ALA A 83 -7.426 8.422 8.173 1.00 0.00 C ATOM 1287 O ALA A 83 -8.162 8.369 9.159 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.962 6.785 9.371 1.00 0.00 C ATOM 0 H ALA A 83 -4.781 9.023 8.157 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.464 6.755 7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.866 6.265 9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.154 6.065 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.680 7.518 10.127 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.627 9.266 7.168 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.752 10.192 7.167 1.00 0.00 C ATOM 1296 C HIS A 84 -10.074 9.451 6.996 1.00 0.00 C ATOM 1297 O HIS A 84 -10.111 8.221 6.965 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.600 11.204 6.037 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.369 12.039 6.139 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -6.945 12.615 7.316 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -6.464 12.394 5.198 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -5.833 13.288 7.094 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -5.521 13.170 5.818 1.00 0.00 N ATOM 0 H HIS A 84 -7.027 9.328 6.345 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.758 10.707 8.127 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.590 10.673 5.085 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.472 11.858 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.482 12.117 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.272 13.842 7.832 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -4.708 13.589 5.366 1.00 0.00 H new ATOM 1312 N SER A 85 -11.159 10.220 6.873 1.00 0.00 N ATOM 1313 CA SER A 85 -12.496 9.662 6.686 1.00 0.00 C ATOM 1314 C SER A 85 -12.816 8.587 7.727 1.00 0.00 C ATOM 1315 O SER A 85 -12.134 8.468 8.743 1.00 0.00 O ATOM 1316 CB SER A 85 -12.626 9.085 5.277 1.00 0.00 C ATOM 1317 OG SER A 85 -13.912 8.529 5.066 1.00 0.00 O ATOM 0 H SER A 85 -11.134 11.239 6.900 1.00 0.00 H new ATOM 0 HA SER A 85 -13.215 10.470 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.441 9.869 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.866 8.319 5.124 1.00 0.00 H new ATOM 0 HG SER A 85 -13.841 7.553 5.010 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.870 7.817 7.460 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.307 6.754 8.362 1.00 0.00 C ATOM 1325 C ASP A 86 -13.210 5.708 8.582 1.00 0.00 C ATOM 1326 O ASP A 86 -12.999 4.829 7.748 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.568 6.079 7.811 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.336 5.422 6.461 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -14.698 6.054 5.594 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.792 4.274 6.272 1.00 0.00 O ATOM 0 H ASP A 86 -14.440 7.911 6.620 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.530 7.212 9.326 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.914 5.328 8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -16.362 6.820 7.719 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.533 5.804 9.726 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.470 4.866 10.092 1.00 0.00 C ATOM 1337 C LEU A 87 -11.978 3.424 10.072 1.00 0.00 C ATOM 1338 O LEU A 87 -11.200 2.477 9.965 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.954 5.210 11.496 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.443 5.099 11.701 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.020 3.642 11.727 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.694 5.871 10.625 1.00 0.00 C ATOM 0 H LEU A 87 -12.704 6.530 10.422 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.663 4.954 9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.259 6.229 11.734 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.447 4.554 12.213 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.189 5.543 12.664 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.942 3.579 11.874 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.528 3.130 12.544 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.286 3.169 10.782 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.621 5.778 10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.946 5.466 9.645 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.978 6.923 10.667 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.293 3.270 10.190 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.925 1.953 10.207 1.00 0.00 C ATOM 1356 C ASP A 88 -13.428 1.058 9.075 1.00 0.00 C ATOM 1357 O ASP A 88 -13.120 -0.113 9.296 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.445 2.095 10.117 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.085 2.344 11.469 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.287 1.367 12.220 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.387 3.517 11.774 1.00 0.00 O ATOM 0 H ASP A 88 -13.947 4.048 10.276 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.651 1.479 11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.691 2.917 9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.866 1.190 9.680 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.358 1.603 7.865 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.910 0.828 6.718 1.00 0.00 C ATOM 1368 C ALA A 89 -11.428 0.465 6.832 1.00 0.00 C ATOM 1369 O ALA A 89 -10.961 -0.463 6.174 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.198 1.568 5.423 1.00 0.00 C ATOM 0 H ALA A 89 -13.604 2.571 7.656 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.472 -0.106 6.706 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.855 0.970 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.270 1.741 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.676 2.525 5.427 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.691 1.191 7.674 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.267 0.911 7.864 1.00 0.00 C ATOM 1378 C ALA A 90 -9.078 -0.456 8.504 1.00 0.00 C ATOM 1379 O ALA A 90 -8.351 -1.304 7.988 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.600 1.972 8.731 1.00 0.00 C ATOM 0 H ALA A 90 -11.051 1.968 8.229 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.797 0.924 6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.543 1.732 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.699 2.947 8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.080 1.997 9.709 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.742 -0.659 9.638 1.00 0.00 N ATOM 1387 CA VAL A 91 -9.651 -1.922 10.353 1.00 0.00 C ATOM 1388 C VAL A 91 -10.188 -3.061 9.497 1.00 0.00 C ATOM 1389 O VAL A 91 -9.615 -4.151 9.468 1.00 0.00 O ATOM 1390 CB VAL A 91 -10.407 -1.892 11.693 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -9.961 -3.053 12.568 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -10.193 -0.563 12.407 1.00 0.00 C ATOM 0 H VAL A 91 -10.347 0.034 10.078 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.595 -2.085 10.566 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.474 -1.995 11.493 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.501 -3.024 13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.171 -3.994 12.059 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.891 -2.975 12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.737 -0.566 13.351 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.130 -0.421 12.601 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.559 0.250 11.780 1.00 0.00 H new ATOM 1402 N SER A 92 -11.277 -2.795 8.780 1.00 0.00 N ATOM 1403 CA SER A 92 -11.862 -3.798 7.903 1.00 0.00 C ATOM 1404 C SER A 92 -10.879 -4.156 6.794 1.00 0.00 C ATOM 1405 O SER A 92 -11.043 -5.160 6.105 1.00 0.00 O ATOM 1406 CB SER A 92 -13.178 -3.306 7.294 1.00 0.00 C ATOM 1407 OG SER A 92 -12.952 -2.255 6.368 1.00 0.00 O ATOM 0 H SER A 92 -11.767 -1.900 8.790 1.00 0.00 H new ATOM 0 HA SER A 92 -12.076 -4.684 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.682 -4.133 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.842 -2.960 8.086 1.00 0.00 H new ATOM 0 HG SER A 92 -12.043 -1.907 6.484 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.858 -3.321 6.627 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.842 -3.541 5.619 1.00 0.00 C ATOM 1415 C ALA A 93 -7.879 -4.640 6.040 1.00 0.00 C ATOM 1416 O ALA A 93 -7.700 -5.632 5.338 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.088 -2.254 5.338 1.00 0.00 C ATOM 0 H ALA A 93 -9.717 -2.479 7.186 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.339 -3.863 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.328 -2.436 4.578 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.784 -1.495 4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.610 -1.905 6.253 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.249 -4.441 7.187 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.282 -5.406 7.709 1.00 0.00 C ATOM 1425 C TYR A 94 -6.878 -6.807 7.762 1.00 0.00 C ATOM 1426 O TYR A 94 -6.182 -7.802 7.564 1.00 0.00 O ATOM 1427 CB TYR A 94 -5.790 -5.012 9.109 1.00 0.00 C ATOM 1428 CG TYR A 94 -5.678 -3.521 9.343 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -4.849 -2.731 8.556 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -6.401 -2.905 10.356 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.749 -1.368 8.770 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.305 -1.544 10.577 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.479 -0.779 9.783 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.388 0.576 10.001 1.00 0.00 O ATOM 0 H TYR A 94 -7.387 -3.621 7.778 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.433 -5.402 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.470 -5.432 9.850 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.814 -5.467 9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.274 -3.188 7.765 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.050 -3.500 10.982 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.103 -0.767 8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.875 -1.082 11.369 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.738 1.057 9.222 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.169 -6.870 8.039 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.867 -8.149 8.130 1.00 0.00 C ATOM 1446 C GLN A 95 -9.119 -8.735 6.743 1.00 0.00 C ATOM 1447 O GLN A 95 -9.102 -9.952 6.564 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.186 -7.982 8.886 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.210 -7.153 8.138 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.195 -8.000 7.361 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.107 -9.229 7.355 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.144 -7.347 6.696 1.00 0.00 N ATOM 0 H GLN A 95 -8.758 -6.054 8.205 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.232 -8.844 8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.606 -8.967 9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.986 -7.515 9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.754 -6.529 8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.695 -6.481 7.452 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.180 -6.328 6.728 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.835 -7.865 6.154 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.348 -7.862 5.767 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.595 -8.292 4.401 1.00 0.00 C ATOM 1463 C GLN A 96 -8.335 -8.183 3.547 1.00 0.00 C ATOM 1464 O GLN A 96 -8.372 -8.440 2.345 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.706 -7.457 3.760 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.346 -5.987 3.588 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.568 -5.096 3.444 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.682 -5.498 3.776 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -11.366 -3.876 2.950 1.00 0.00 N ATOM 0 H GLN A 96 -9.367 -6.851 5.900 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.904 -9.336 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.949 -7.879 2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.604 -7.533 4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.761 -5.658 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.713 -5.873 2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.426 -3.582 2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.152 -3.236 2.835 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.224 -7.791 4.164 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.986 -7.650 3.428 1.00 0.00 C ATOM 1480 C GLY A 97 -5.373 -6.272 3.579 1.00 0.00 C ATOM 1481 O GLY A 97 -5.537 -5.414 2.713 1.00 0.00 O ATOM 0 H GLY A 97 -7.162 -7.570 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.275 -8.400 3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.171 -7.848 2.372 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.658 -6.058 4.679 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.019 -4.775 4.929 1.00 0.00 C ATOM 1487 C ALA A 98 -3.036 -4.851 6.094 1.00 0.00 C ATOM 1488 O ALA A 98 -3.341 -5.404 7.148 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.066 -3.697 5.155 1.00 0.00 C ATOM 0 H ALA A 98 -4.508 -6.755 5.408 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.440 -4.509 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.572 -2.743 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.698 -3.612 4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.680 -3.961 6.016 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.840 -4.302 5.882 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.797 -4.317 6.899 1.00 0.00 C ATOM 1497 C PHE A 99 -1.081 -3.308 8.007 1.00 0.00 C ATOM 1498 O PHE A 99 -1.089 -3.660 9.187 1.00 0.00 O ATOM 1499 CB PHE A 99 0.568 -4.017 6.271 1.00 0.00 C ATOM 1500 CG PHE A 99 1.712 -4.123 7.242 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.125 -5.363 7.703 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.375 -2.990 7.691 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.177 -5.473 8.593 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.429 -3.093 8.583 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.830 -4.338 9.035 1.00 0.00 C ATOM 0 H PHE A 99 -1.572 -3.841 5.012 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.784 -5.315 7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.738 -4.707 5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.552 -3.012 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.619 -6.254 7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.065 -2.016 7.341 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.489 -6.446 8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.937 -2.204 8.925 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.651 -4.422 9.731 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.306 -2.053 7.630 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.578 -1.010 8.616 1.00 0.00 C ATOM 1517 C ASP A 100 -1.841 0.337 7.957 1.00 0.00 C ATOM 1518 O ASP A 100 -2.057 0.423 6.748 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.406 -0.891 9.595 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.856 -0.946 11.041 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.094 -2.062 11.549 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.972 0.128 11.667 1.00 0.00 O ATOM 0 H ASP A 100 -1.306 -1.735 6.661 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.479 -1.297 9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.304 -1.696 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.120 0.047 9.416 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.828 1.389 8.772 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.072 2.738 8.287 1.00 0.00 C ATOM 1529 C TYR A 101 -0.937 3.685 8.682 1.00 0.00 C ATOM 1530 O TYR A 101 -0.414 3.625 9.795 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.403 3.257 8.840 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.553 3.171 7.858 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.131 1.948 7.536 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.062 4.315 7.255 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.184 1.869 6.643 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.115 4.243 6.362 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.672 3.018 6.060 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.725 2.942 5.176 1.00 0.00 O ATOM 0 H TYR A 101 -1.650 1.329 9.775 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.119 2.704 7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.659 2.689 9.735 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.277 4.295 9.147 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.751 1.045 7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.628 5.276 7.488 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.622 0.911 6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.500 5.142 5.903 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.005 2.008 5.080 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.581 4.567 7.758 1.00 0.00 N ATOM 1549 CA LEU A 102 0.471 5.556 7.969 1.00 0.00 C ATOM 1550 C LEU A 102 -0.191 6.904 8.266 1.00 0.00 C ATOM 1551 O LEU A 102 -1.302 7.154 7.804 1.00 0.00 O ATOM 1552 CB LEU A 102 1.333 5.653 6.695 1.00 0.00 C ATOM 1553 CG LEU A 102 2.854 5.780 6.876 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.389 4.757 7.858 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.558 5.615 5.532 1.00 0.00 C ATOM 0 H LEU A 102 -1.015 4.618 6.836 1.00 0.00 H new ATOM 0 HA LEU A 102 1.110 5.270 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.139 4.768 6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.989 6.514 6.121 1.00 0.00 H new ATOM 0 HG LEU A 102 3.055 6.773 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.467 4.879 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.915 4.902 8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.170 3.753 7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.635 5.707 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.328 4.633 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.214 6.387 4.844 1.00 0.00 H new ATOM 1567 N PRO A 103 0.451 7.787 9.049 1.00 0.00 N ATOM 1568 CA PRO A 103 -0.123 9.096 9.391 1.00 0.00 C ATOM 1569 C PRO A 103 -0.179 10.017 8.177 1.00 0.00 C ATOM 1570 O PRO A 103 -1.178 10.692 7.934 1.00 0.00 O ATOM 1571 CB PRO A 103 0.844 9.656 10.450 1.00 0.00 C ATOM 1572 CG PRO A 103 1.690 8.494 10.868 1.00 0.00 C ATOM 1573 CD PRO A 103 1.764 7.590 9.674 1.00 0.00 C ATOM 0 HA PRO A 103 -1.150 9.015 9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.455 10.459 10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.300 10.072 11.298 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.684 8.823 11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.251 7.978 11.722 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.578 7.867 9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.926 6.551 9.960 1.00 0.00 H new ATOM 1581 N LYS A 104 0.907 10.006 7.417 1.00 0.00 N ATOM 1582 CA LYS A 104 1.045 10.800 6.197 1.00 0.00 C ATOM 1583 C LYS A 104 2.473 10.686 5.675 1.00 0.00 C ATOM 1584 O LYS A 104 2.683 10.427 4.491 1.00 0.00 O ATOM 1585 CB LYS A 104 0.681 12.270 6.403 1.00 0.00 C ATOM 1586 CG LYS A 104 0.002 12.892 5.185 1.00 0.00 C ATOM 1587 CD LYS A 104 0.783 12.643 3.893 1.00 0.00 C ATOM 1588 CE LYS A 104 0.249 11.430 3.135 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.597 11.458 1.679 1.00 0.00 N ATOM 0 H LYS A 104 1.728 9.440 7.630 1.00 0.00 H new ATOM 0 HA LYS A 104 0.342 10.399 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.020 12.358 7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.585 12.833 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.003 12.482 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.105 13.965 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.723 13.525 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.836 12.490 4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.651 10.521 3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.835 11.387 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.738 10.486 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.177 11.904 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.471 12.004 1.542 1.00 0.00 H new ATOM 1603 N PRO A 105 3.486 10.841 6.557 1.00 0.00 N ATOM 1604 CA PRO A 105 4.886 10.708 6.157 1.00 0.00 C ATOM 1605 C PRO A 105 5.064 9.440 5.334 1.00 0.00 C ATOM 1606 O PRO A 105 4.167 8.600 5.304 1.00 0.00 O ATOM 1607 CB PRO A 105 5.632 10.615 7.487 1.00 0.00 C ATOM 1608 CG PRO A 105 4.772 11.362 8.446 1.00 0.00 C ATOM 1609 CD PRO A 105 3.353 11.129 8.001 1.00 0.00 C ATOM 0 HA PRO A 105 5.247 11.530 5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.765 9.578 7.797 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.626 11.057 7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.924 11.007 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.013 12.425 8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.896 10.296 8.536 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.728 12.004 8.180 1.00 0.00 H new ATOM 1617 N PHE A 106 6.175 9.308 4.629 1.00 0.00 N ATOM 1618 CA PHE A 106 6.371 8.138 3.789 1.00 0.00 C ATOM 1619 C PHE A 106 7.829 8.018 3.342 1.00 0.00 C ATOM 1620 O PHE A 106 8.661 7.504 4.085 1.00 0.00 O ATOM 1621 CB PHE A 106 5.418 8.236 2.590 1.00 0.00 C ATOM 1622 CG PHE A 106 4.997 6.916 2.016 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.952 6.205 2.579 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.635 6.399 0.904 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.549 4.995 2.044 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.242 5.192 0.363 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.195 4.488 0.932 1.00 0.00 C ATOM 0 H PHE A 106 6.941 9.981 4.620 1.00 0.00 H new ATOM 0 HA PHE A 106 6.145 7.235 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.527 8.785 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.900 8.821 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.445 6.600 3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.450 6.946 0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.733 4.448 2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.751 4.797 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.883 3.545 0.508 1.00 0.00 H new ATOM 1637 N ASP A 107 8.145 8.485 2.132 1.00 0.00 N ATOM 1638 CA ASP A 107 9.506 8.407 1.616 1.00 0.00 C ATOM 1639 C ASP A 107 10.109 7.031 1.895 1.00 0.00 C ATOM 1640 O ASP A 107 9.420 6.121 2.347 1.00 0.00 O ATOM 1641 CB ASP A 107 10.371 9.512 2.228 1.00 0.00 C ATOM 1642 CG ASP A 107 10.649 9.296 3.702 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.649 8.621 4.026 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.865 9.802 4.533 1.00 0.00 O ATOM 0 H ASP A 107 7.476 8.919 1.496 1.00 0.00 H new ATOM 0 HA ASP A 107 9.476 8.551 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.317 9.566 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.873 10.472 2.094 1.00 0.00 H new ATOM 1649 N ILE A 108 11.390 6.883 1.623 1.00 0.00 N ATOM 1650 CA ILE A 108 12.061 5.614 1.847 1.00 0.00 C ATOM 1651 C ILE A 108 12.175 5.284 3.325 1.00 0.00 C ATOM 1652 O ILE A 108 11.843 4.183 3.758 1.00 0.00 O ATOM 1653 CB ILE A 108 13.459 5.599 1.189 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.380 4.992 -0.204 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.485 4.843 2.025 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.207 5.494 -1.005 1.00 0.00 C ATOM 0 H ILE A 108 11.987 7.621 1.248 1.00 0.00 H new ATOM 0 HA ILE A 108 11.445 4.846 1.380 1.00 0.00 H new ATOM 0 HB ILE A 108 13.791 6.635 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.301 5.214 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.315 3.907 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.451 4.861 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.578 5.316 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.161 3.810 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.209 5.022 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.280 5.248 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.282 6.575 -1.121 1.00 0.00 H new ATOM 1668 N ASP A 109 12.672 6.232 4.086 1.00 0.00 N ATOM 1669 CA ASP A 109 12.864 6.032 5.514 1.00 0.00 C ATOM 1670 C ASP A 109 11.605 5.492 6.189 1.00 0.00 C ATOM 1671 O ASP A 109 11.660 4.482 6.881 1.00 0.00 O ATOM 1672 CB ASP A 109 13.303 7.333 6.187 1.00 0.00 C ATOM 1673 CG ASP A 109 14.694 7.758 5.761 1.00 0.00 C ATOM 1674 OD1 ASP A 109 14.964 7.774 4.542 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.516 8.073 6.647 1.00 0.00 O ATOM 0 H ASP A 109 12.952 7.152 3.745 1.00 0.00 H new ATOM 0 HA ASP A 109 13.650 5.286 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.593 8.123 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.279 7.206 7.269 1.00 0.00 H new ATOM 1680 N GLU A 110 10.483 6.183 6.014 1.00 0.00 N ATOM 1681 CA GLU A 110 9.233 5.780 6.643 1.00 0.00 C ATOM 1682 C GLU A 110 8.526 4.647 5.898 1.00 0.00 C ATOM 1683 O GLU A 110 7.832 3.836 6.515 1.00 0.00 O ATOM 1684 CB GLU A 110 8.302 6.991 6.782 1.00 0.00 C ATOM 1685 CG GLU A 110 8.957 8.195 7.436 1.00 0.00 C ATOM 1686 CD GLU A 110 8.604 8.320 8.905 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.601 7.286 9.605 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.330 9.453 9.357 1.00 0.00 O ATOM 0 H GLU A 110 10.415 7.025 5.442 1.00 0.00 H new ATOM 0 HA GLU A 110 9.484 5.392 7.630 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.943 7.277 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.429 6.701 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 110 10.039 8.118 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.650 9.101 6.913 1.00 0.00 H new ATOM 1695 N ALA A 111 8.691 4.580 4.585 1.00 0.00 N ATOM 1696 CA ALA A 111 8.042 3.529 3.819 1.00 0.00 C ATOM 1697 C ALA A 111 8.865 2.250 3.844 1.00 0.00 C ATOM 1698 O ALA A 111 8.350 1.181 4.174 1.00 0.00 O ATOM 1699 CB ALA A 111 7.771 3.981 2.392 1.00 0.00 C ATOM 0 H ALA A 111 9.257 5.228 4.037 1.00 0.00 H new ATOM 0 HA ALA A 111 7.081 3.316 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.285 3.176 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.121 4.856 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.713 4.236 1.906 1.00 0.00 H new ATOM 1705 N VAL A 112 10.146 2.357 3.514 1.00 0.00 N ATOM 1706 CA VAL A 112 11.018 1.195 3.524 1.00 0.00 C ATOM 1707 C VAL A 112 11.081 0.593 4.917 1.00 0.00 C ATOM 1708 O VAL A 112 11.208 -0.618 5.086 1.00 0.00 O ATOM 1709 CB VAL A 112 12.437 1.527 3.054 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.272 0.258 2.979 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.389 2.226 1.708 1.00 0.00 C ATOM 0 H VAL A 112 10.599 3.229 3.239 1.00 0.00 H new ATOM 0 HA VAL A 112 10.591 0.476 2.825 1.00 0.00 H new ATOM 0 HB VAL A 112 12.904 2.201 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.279 0.505 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.321 -0.204 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.815 -0.437 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.403 2.458 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.913 1.574 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.817 3.149 1.798 1.00 0.00 H new ATOM 1721 N ALA A 113 10.965 1.450 5.912 1.00 0.00 N ATOM 1722 CA ALA A 113 10.972 1.009 7.292 1.00 0.00 C ATOM 1723 C ALA A 113 9.819 0.044 7.520 1.00 0.00 C ATOM 1724 O ALA A 113 9.989 -1.055 8.048 1.00 0.00 O ATOM 1725 CB ALA A 113 10.818 2.204 8.211 1.00 0.00 C ATOM 0 H ALA A 113 10.865 2.458 5.790 1.00 0.00 H new ATOM 0 HA ALA A 113 11.916 0.508 7.506 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.824 1.869 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.644 2.896 8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.875 2.708 7.998 1.00 0.00 H new ATOM 1731 N LEU A 114 8.639 0.501 7.122 1.00 0.00 N ATOM 1732 CA LEU A 114 7.412 -0.262 7.275 1.00 0.00 C ATOM 1733 C LEU A 114 7.291 -1.404 6.262 1.00 0.00 C ATOM 1734 O LEU A 114 6.529 -2.347 6.481 1.00 0.00 O ATOM 1735 CB LEU A 114 6.214 0.684 7.150 1.00 0.00 C ATOM 1736 CG LEU A 114 4.864 0.079 7.532 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.608 0.250 9.021 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.742 0.714 6.724 1.00 0.00 C ATOM 0 H LEU A 114 8.508 1.413 6.684 1.00 0.00 H new ATOM 0 HA LEU A 114 7.431 -0.724 8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.394 1.557 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.157 1.038 6.121 1.00 0.00 H new ATOM 0 HG LEU A 114 4.890 -0.987 7.304 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.642 -0.186 9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.394 -0.252 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.604 1.311 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.790 0.269 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.715 1.786 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.917 0.543 5.662 1.00 0.00 H new ATOM 1750 N VAL A 115 8.024 -1.323 5.153 1.00 0.00 N ATOM 1751 CA VAL A 115 7.951 -2.367 4.128 1.00 0.00 C ATOM 1752 C VAL A 115 8.764 -3.605 4.502 1.00 0.00 C ATOM 1753 O VAL A 115 8.252 -4.723 4.461 1.00 0.00 O ATOM 1754 CB VAL A 115 8.399 -1.865 2.734 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.907 -1.718 2.652 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.903 -2.808 1.653 1.00 0.00 C ATOM 0 H VAL A 115 8.666 -0.559 4.941 1.00 0.00 H new ATOM 0 HA VAL A 115 6.897 -2.641 4.075 1.00 0.00 H new ATOM 0 HB VAL A 115 7.960 -0.879 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.185 -1.364 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.244 -1.001 3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.377 -2.684 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.225 -2.444 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.313 -3.804 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.814 -2.855 1.682 1.00 0.00 H new ATOM 1766 N GLU A 116 10.027 -3.406 4.857 1.00 0.00 N ATOM 1767 CA GLU A 116 10.895 -4.515 5.229 1.00 0.00 C ATOM 1768 C GLU A 116 10.445 -5.126 6.549 1.00 0.00 C ATOM 1769 O GLU A 116 10.437 -6.347 6.708 1.00 0.00 O ATOM 1770 CB GLU A 116 12.348 -4.048 5.312 1.00 0.00 C ATOM 1771 CG GLU A 116 12.962 -3.735 3.951 1.00 0.00 C ATOM 1772 CD GLU A 116 14.463 -3.523 4.025 1.00 0.00 C ATOM 1773 OE1 GLU A 116 15.174 -4.458 4.449 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.927 -2.423 3.659 1.00 0.00 O ATOM 0 H GLU A 116 10.472 -2.489 4.895 1.00 0.00 H new ATOM 0 HA GLU A 116 10.827 -5.284 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.401 -3.158 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.942 -4.819 5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.747 -4.552 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.492 -2.841 3.541 1.00 0.00 H new ATOM 1781 N ARG A 117 10.062 -4.269 7.493 1.00 0.00 N ATOM 1782 CA ARG A 117 9.599 -4.731 8.795 1.00 0.00 C ATOM 1783 C ARG A 117 8.285 -5.486 8.657 1.00 0.00 C ATOM 1784 O ARG A 117 7.965 -6.353 9.468 1.00 0.00 O ATOM 1785 CB ARG A 117 9.427 -3.551 9.753 1.00 0.00 C ATOM 1786 CG ARG A 117 10.741 -2.923 10.184 1.00 0.00 C ATOM 1787 CD ARG A 117 11.547 -3.860 11.072 1.00 0.00 C ATOM 1788 NE ARG A 117 12.887 -3.342 11.334 1.00 0.00 N ATOM 1789 CZ ARG A 117 13.141 -2.316 12.143 1.00 0.00 C ATOM 1790 NH1 ARG A 117 12.150 -1.697 12.775 1.00 0.00 N ATOM 1791 NH2 ARG A 117 14.390 -1.904 12.317 1.00 0.00 N ATOM 0 H ARG A 117 10.064 -3.255 7.379 1.00 0.00 H new ATOM 0 HA ARG A 117 10.350 -5.407 9.204 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.810 -2.791 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.887 -3.888 10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 117 11.327 -2.663 9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.542 -1.995 10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.023 -4.006 12.017 1.00 0.00 H new ATOM 0 HD3 ARG A 117 11.622 -4.837 10.595 1.00 0.00 H new ATOM 0 HE ARG A 117 13.675 -3.793 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.188 -2.007 12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.352 -0.911 13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 117 15.154 -2.373 11.831 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.586 -1.118 12.937 1.00 0.00 H new ATOM 1805 N ALA A 118 7.531 -5.149 7.618 1.00 0.00 N ATOM 1806 CA ALA A 118 6.251 -5.790 7.361 1.00 0.00 C ATOM 1807 C ALA A 118 6.446 -7.222 6.876 1.00 0.00 C ATOM 1808 O ALA A 118 5.904 -8.164 7.454 1.00 0.00 O ATOM 1809 CB ALA A 118 5.457 -4.992 6.341 1.00 0.00 C ATOM 0 H ALA A 118 7.787 -4.433 6.938 1.00 0.00 H new ATOM 0 HA ALA A 118 5.692 -5.821 8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.501 -5.484 6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.281 -3.986 6.723 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.018 -4.933 5.409 1.00 0.00 H new ATOM 1815 N ILE A 119 7.226 -7.382 5.810 1.00 0.00 N ATOM 1816 CA ILE A 119 7.496 -8.699 5.252 1.00 0.00 C ATOM 1817 C ILE A 119 8.309 -9.541 6.224 1.00 0.00 C ATOM 1818 O ILE A 119 8.181 -10.765 6.265 1.00 0.00 O ATOM 1819 CB ILE A 119 8.259 -8.598 3.917 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.558 -7.622 2.974 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.387 -9.965 3.263 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.515 -6.790 2.153 1.00 0.00 C ATOM 0 H ILE A 119 7.681 -6.614 5.317 1.00 0.00 H new ATOM 0 HA ILE A 119 6.532 -9.175 5.074 1.00 0.00 H new ATOM 0 HB ILE A 119 9.261 -8.223 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.906 -8.181 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.920 -6.959 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.929 -9.869 2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.930 -10.637 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.394 -10.370 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.951 -6.119 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.150 -6.204 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.136 -7.446 1.543 1.00 0.00 H new ATOM 1834 N SER A 120 9.144 -8.870 7.001 1.00 0.00 N ATOM 1835 CA SER A 120 9.990 -9.538 7.979 1.00 0.00 C ATOM 1836 C SER A 120 9.155 -10.135 9.105 1.00 0.00 C ATOM 1837 O SER A 120 9.385 -11.269 9.525 1.00 0.00 O ATOM 1838 CB SER A 120 11.013 -8.556 8.550 1.00 0.00 C ATOM 1839 OG SER A 120 11.957 -9.226 9.365 1.00 0.00 O ATOM 0 H SER A 120 9.255 -7.856 6.973 1.00 0.00 H new ATOM 0 HA SER A 120 10.516 -10.349 7.475 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.527 -8.046 7.735 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.502 -7.790 9.133 1.00 0.00 H new ATOM 0 HG SER A 120 12.602 -8.578 9.718 1.00 0.00 H new ATOM 1845 N HIS A 121 8.187 -9.364 9.590 1.00 0.00 N ATOM 1846 CA HIS A 121 7.317 -9.818 10.669 1.00 0.00 C ATOM 1847 C HIS A 121 6.425 -10.968 10.209 1.00 0.00 C ATOM 1848 O HIS A 121 5.957 -11.766 11.020 1.00 0.00 O ATOM 1849 CB HIS A 121 6.455 -8.658 11.176 1.00 0.00 C ATOM 1850 CG HIS A 121 7.146 -7.799 12.188 1.00 0.00 C ATOM 1851 ND1 HIS A 121 8.513 -7.616 12.211 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.654 -7.069 13.218 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.832 -6.815 13.211 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.723 -6.468 13.837 1.00 0.00 N ATOM 0 H HIS A 121 7.985 -8.423 9.253 1.00 0.00 H new ATOM 0 HA HIS A 121 7.947 -10.179 11.482 1.00 0.00 H new ATOM 0 HB2 HIS A 121 6.157 -8.040 10.329 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.541 -9.059 11.615 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.615 -6.977 13.500 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.831 -6.498 13.472 1.00 0.00 H new ATOM 0 HE2 HIS A 121 7.669 -5.853 14.649 1.00 0.00 H new ATOM 1863 N TYR A 122 6.191 -11.040 8.903 1.00 0.00 N ATOM 1864 CA TYR A 122 5.351 -12.086 8.329 1.00 0.00 C ATOM 1865 C TYR A 122 6.033 -13.447 8.420 1.00 0.00 C ATOM 1866 O TYR A 122 5.392 -14.456 8.713 1.00 0.00 O ATOM 1867 CB TYR A 122 5.023 -11.764 6.870 1.00 0.00 C ATOM 1868 CG TYR A 122 3.603 -11.288 6.660 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.528 -12.052 7.094 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.337 -10.079 6.024 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.227 -11.627 6.904 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.037 -9.647 5.830 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.986 -10.425 6.272 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.309 -10.002 6.079 1.00 0.00 O ATOM 0 H TYR A 122 6.572 -10.385 8.220 1.00 0.00 H new ATOM 0 HA TYR A 122 4.425 -12.126 8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.711 -10.998 6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.193 -12.653 6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.712 -12.994 7.588 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.158 -9.469 5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.402 -12.233 7.249 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.846 -8.706 5.335 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.305 -9.136 5.620 1.00 0.00 H new ATOM 1884 N GLN A 123 7.336 -13.464 8.165 1.00 0.00 N ATOM 1885 CA GLN A 123 8.107 -14.696 8.217 1.00 0.00 C ATOM 1886 C GLN A 123 8.373 -15.111 9.660 1.00 0.00 C ATOM 1887 O GLN A 123 7.874 -14.490 10.597 1.00 0.00 O ATOM 1888 CB GLN A 123 9.431 -14.532 7.466 1.00 0.00 C ATOM 1889 CG GLN A 123 9.399 -15.085 6.050 1.00 0.00 C ATOM 1890 CD GLN A 123 10.439 -14.446 5.152 1.00 0.00 C ATOM 1891 OE1 GLN A 123 11.605 -14.322 5.528 1.00 0.00 O ATOM 1892 NE2 GLN A 123 10.023 -14.034 3.960 1.00 0.00 N ATOM 0 H GLN A 123 7.880 -12.636 7.920 1.00 0.00 H new ATOM 0 HA GLN A 123 7.522 -15.479 7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 123 9.689 -13.474 7.428 1.00 0.00 H new ATOM 0 HB3 GLN A 123 10.221 -15.033 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.563 -16.162 6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.409 -14.925 5.624 1.00 0.00 H new ATOM 0 HE21 GLN A 123 9.047 -14.157 3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 123 10.679 -13.595 3.315 1.00 0.00 H new ATOM 1901 N GLU A 124 9.165 -16.163 9.830 1.00 0.00 N ATOM 1902 CA GLU A 124 9.502 -16.665 11.157 1.00 0.00 C ATOM 1903 C GLU A 124 8.251 -17.144 11.889 1.00 0.00 C ATOM 1904 O GLU A 124 7.859 -18.305 11.777 1.00 0.00 O ATOM 1905 CB GLU A 124 10.206 -15.580 11.977 1.00 0.00 C ATOM 1906 CG GLU A 124 11.621 -15.953 12.399 1.00 0.00 C ATOM 1907 CD GLU A 124 11.873 -15.699 13.872 1.00 0.00 C ATOM 1908 OE1 GLU A 124 11.588 -14.576 14.337 1.00 0.00 O ATOM 1909 OE2 GLU A 124 12.352 -16.623 14.563 1.00 0.00 O ATOM 0 H GLU A 124 9.587 -16.686 9.063 1.00 0.00 H new ATOM 0 HA GLU A 124 10.179 -17.511 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.241 -14.661 11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.614 -15.369 12.868 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.796 -17.006 12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.336 -15.381 11.807 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.389 10.572 0.614 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -2.087 10.065 1.976 1.00 0.00 F HETATM 1919 F2 BEF A 125 -3.828 10.925 0.529 1.00 0.00 F HETATM 1920 F3 BEF A 125 -1.569 11.780 0.338 1.00 0.00 F