USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 763 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 28 THR OG1 : rot 64:sc= 0.766 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.35 K(o=-0.58,f=-5.6!) USER MOD Single : A 1 SER N :NH3+ -141:sc= 0.0806 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.188 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.39) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= -0.0225 (180deg=-0.203) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 20 THR OG1 : rot 50:sc= -3.87! USER MOD Single : A 23 ASN : amide:sc= -0.0448 K(o=-0.045,f=-1.2!) USER MOD Single : A 24 SER OG : rot -170:sc= 0 USER MOD Single : A 25 MET CE :methyl 141:sc= -0.0695 (180deg=-0.434) USER MOD Single : A 27 MET CE :methyl 158:sc= -0.231 (180deg=-0.974) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0.854 (180deg=-0.114) USER MOD Single : A 37 THR OG1 : rot -50:sc= -2.02! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.593 K(o=-0.59,f=-4.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4.5!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 25:sc= 1.24 USER MOD Single : A 56 SER OG : rot -87:sc= 1.37 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 65 TYR OH : rot -77:sc= 0.00363 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 1.28 (180deg=0.342) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -77:sc= 1.26 USER MOD Single : A 91 HIS : no HD1:sc=-0.00416 X(o=-0.0042,f=-0.017) USER MOD Single : A 92 HIS : no HE2:sc= 0.864 K(o=0.86,f=-3.8!) USER MOD Single : A 93 HIS : no HE2:sc= 0.892 K(o=0.89,f=-5.8!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.408 -4.455 -20.815 1.00 0.00 N ATOM 2 CA SER A 1 1.625 -3.722 -19.551 1.00 0.00 C ATOM 3 C SER A 1 0.410 -3.857 -18.635 1.00 0.00 C ATOM 4 O SER A 1 0.474 -4.514 -17.593 1.00 0.00 O ATOM 5 CB SER A 1 1.919 -2.249 -19.856 1.00 0.00 C ATOM 6 OG SER A 1 0.981 -1.718 -20.781 1.00 0.00 O ATOM 0 H1 SER A 1 2.293 -4.920 -21.103 1.00 0.00 H new ATOM 0 H2 SER A 1 0.668 -5.173 -20.677 1.00 0.00 H new ATOM 0 H3 SER A 1 1.110 -3.789 -21.556 1.00 0.00 H new ATOM 0 HA SER A 1 2.482 -4.152 -19.032 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.890 -1.671 -18.932 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.927 -2.153 -20.260 1.00 0.00 H new ATOM 0 HG SER A 1 1.191 -0.777 -20.956 1.00 0.00 H new ATOM 14 N SER A 2 -0.694 -3.237 -19.037 1.00 0.00 N ATOM 15 CA SER A 2 -1.947 -3.308 -18.300 1.00 0.00 C ATOM 16 C SER A 2 -3.065 -2.683 -19.131 1.00 0.00 C ATOM 17 O SER A 2 -2.923 -2.518 -20.346 1.00 0.00 O ATOM 18 CB SER A 2 -1.814 -2.590 -16.953 1.00 0.00 C ATOM 19 OG SER A 2 -1.351 -1.262 -17.126 1.00 0.00 O ATOM 0 H SER A 2 -0.744 -2.671 -19.884 1.00 0.00 H new ATOM 0 HA SER A 2 -2.190 -4.353 -18.107 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.779 -2.579 -16.447 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.124 -3.138 -16.312 1.00 0.00 H new ATOM 0 HG SER A 2 -1.276 -0.825 -16.252 1.00 0.00 H new ATOM 25 N GLN A 3 -4.169 -2.343 -18.484 1.00 0.00 N ATOM 26 CA GLN A 3 -5.278 -1.688 -19.159 1.00 0.00 C ATOM 27 C GLN A 3 -5.819 -0.546 -18.304 1.00 0.00 C ATOM 28 O GLN A 3 -6.276 -0.760 -17.180 1.00 0.00 O ATOM 29 CB GLN A 3 -6.392 -2.696 -19.481 1.00 0.00 C ATOM 30 CG GLN A 3 -6.880 -3.487 -18.275 1.00 0.00 C ATOM 31 CD GLN A 3 -8.061 -4.380 -18.596 1.00 0.00 C ATOM 32 OE1 GLN A 3 -8.205 -4.868 -19.718 1.00 0.00 O ATOM 33 NE2 GLN A 3 -8.913 -4.605 -17.610 1.00 0.00 N ATOM 0 H GLN A 3 -4.321 -2.511 -17.489 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.912 -1.275 -20.099 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.236 -2.162 -19.918 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.030 -3.393 -20.237 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.062 -4.098 -17.892 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.160 -2.794 -17.481 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.758 -4.182 -16.695 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.726 -5.202 -17.764 1.00 0.00 H new ATOM 42 N THR A 4 -5.731 0.668 -18.822 1.00 0.00 N ATOM 43 CA THR A 4 -6.268 1.826 -18.131 1.00 0.00 C ATOM 44 C THR A 4 -7.792 1.817 -18.207 1.00 0.00 C ATOM 45 O THR A 4 -8.373 2.075 -19.263 1.00 0.00 O ATOM 46 CB THR A 4 -5.725 3.136 -18.731 1.00 0.00 C ATOM 47 OG1 THR A 4 -4.293 3.081 -18.799 1.00 0.00 O ATOM 48 CG2 THR A 4 -6.146 4.337 -17.895 1.00 0.00 C ATOM 0 H THR A 4 -5.292 0.876 -19.719 1.00 0.00 H new ATOM 0 HA THR A 4 -5.954 1.772 -17.089 1.00 0.00 H new ATOM 0 HB THR A 4 -6.140 3.249 -19.733 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.951 3.916 -19.183 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.749 5.248 -18.342 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.234 4.394 -17.862 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.757 4.230 -16.882 1.00 0.00 H new ATOM 56 N LEU A 5 -8.427 1.486 -17.093 1.00 0.00 N ATOM 57 CA LEU A 5 -9.877 1.384 -17.036 1.00 0.00 C ATOM 58 C LEU A 5 -10.532 2.744 -17.245 1.00 0.00 C ATOM 59 O LEU A 5 -10.102 3.747 -16.671 1.00 0.00 O ATOM 60 CB LEU A 5 -10.309 0.786 -15.695 1.00 0.00 C ATOM 61 CG LEU A 5 -9.790 -0.627 -15.417 1.00 0.00 C ATOM 62 CD1 LEU A 5 -10.207 -1.087 -14.030 1.00 0.00 C ATOM 63 CD2 LEU A 5 -10.295 -1.598 -16.474 1.00 0.00 C ATOM 0 H LEU A 5 -7.957 1.282 -16.211 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.205 0.726 -17.841 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.970 1.445 -14.895 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.398 0.771 -15.656 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.701 -0.606 -15.459 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.829 -2.093 -13.851 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.797 -0.407 -13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.295 -1.091 -13.960 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.916 -2.598 -16.261 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.385 -1.613 -16.463 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.946 -1.280 -17.457 1.00 0.00 H new ATOM 75 N ASP A 6 -11.563 2.766 -18.083 1.00 0.00 N ATOM 76 CA ASP A 6 -12.309 3.991 -18.364 1.00 0.00 C ATOM 77 C ASP A 6 -12.966 4.513 -17.096 1.00 0.00 C ATOM 78 O ASP A 6 -12.798 5.673 -16.729 1.00 0.00 O ATOM 79 CB ASP A 6 -13.358 3.729 -19.446 1.00 0.00 C ATOM 80 CG ASP A 6 -14.370 4.851 -19.580 1.00 0.00 C ATOM 81 OD1 ASP A 6 -13.964 6.019 -19.745 1.00 0.00 O ATOM 82 OD2 ASP A 6 -15.582 4.562 -19.526 1.00 0.00 O ATOM 0 H ASP A 6 -11.904 1.945 -18.583 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.617 4.750 -18.727 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.856 3.585 -20.403 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.882 2.801 -19.218 1.00 0.00 H new ATOM 87 N ARG A 7 -13.709 3.647 -16.431 1.00 0.00 N ATOM 88 CA ARG A 7 -14.269 3.957 -15.126 1.00 0.00 C ATOM 89 C ARG A 7 -13.822 2.887 -14.143 1.00 0.00 C ATOM 90 O ARG A 7 -13.043 2.004 -14.512 1.00 0.00 O ATOM 91 CB ARG A 7 -15.795 4.005 -15.176 1.00 0.00 C ATOM 92 CG ARG A 7 -16.352 4.890 -16.274 1.00 0.00 C ATOM 93 CD ARG A 7 -17.862 4.980 -16.187 1.00 0.00 C ATOM 94 NE ARG A 7 -18.485 3.663 -16.063 1.00 0.00 N ATOM 95 CZ ARG A 7 -19.787 3.472 -15.874 1.00 0.00 C ATOM 96 NH1 ARG A 7 -20.621 4.504 -15.874 1.00 0.00 N ATOM 97 NH2 ARG A 7 -20.256 2.243 -15.707 1.00 0.00 N ATOM 0 H ARG A 7 -13.941 2.715 -16.776 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.915 4.939 -14.811 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -16.175 2.993 -15.313 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -16.168 4.359 -14.215 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.920 5.888 -16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -16.063 4.493 -17.247 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.139 5.594 -15.330 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -18.247 5.480 -17.076 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.884 2.841 -16.125 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.264 5.448 -16.019 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.619 4.353 -15.729 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -19.618 1.447 -15.724 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.254 2.094 -15.562 1.00 0.00 H new ATOM 111 N ASP A 8 -14.331 2.949 -12.915 1.00 0.00 N ATOM 112 CA ASP A 8 -13.965 1.984 -11.873 1.00 0.00 C ATOM 113 C ASP A 8 -12.448 1.873 -11.748 1.00 0.00 C ATOM 114 O ASP A 8 -11.887 0.781 -11.879 1.00 0.00 O ATOM 115 CB ASP A 8 -14.549 0.600 -12.182 1.00 0.00 C ATOM 116 CG ASP A 8 -16.051 0.534 -12.019 1.00 0.00 C ATOM 117 OD1 ASP A 8 -16.776 0.918 -12.957 1.00 0.00 O ATOM 118 OD2 ASP A 8 -16.511 0.069 -10.954 1.00 0.00 O ATOM 0 H ASP A 8 -15.000 3.658 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.378 2.344 -10.931 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.289 0.324 -13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.087 -0.137 -11.525 1.00 0.00 H new ATOM 123 N PRO A 9 -11.759 2.992 -11.483 1.00 0.00 N ATOM 124 CA PRO A 9 -10.301 3.025 -11.508 1.00 0.00 C ATOM 125 C PRO A 9 -9.672 2.162 -10.422 1.00 0.00 C ATOM 126 O PRO A 9 -9.858 2.399 -9.225 1.00 0.00 O ATOM 127 CB PRO A 9 -9.959 4.503 -11.293 1.00 0.00 C ATOM 128 CG PRO A 9 -11.164 5.103 -10.655 1.00 0.00 C ATOM 129 CD PRO A 9 -12.343 4.296 -11.118 1.00 0.00 C ATOM 0 HA PRO A 9 -9.911 2.622 -12.443 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.082 4.614 -10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.730 4.994 -12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.080 5.078 -9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.274 6.149 -10.942 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.090 4.193 -10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.838 4.764 -11.969 1.00 0.00 H new ATOM 137 N THR A 10 -8.957 1.133 -10.844 1.00 0.00 N ATOM 138 CA THR A 10 -8.166 0.341 -9.927 1.00 0.00 C ATOM 139 C THR A 10 -6.788 0.972 -9.781 1.00 0.00 C ATOM 140 O THR A 10 -5.920 0.808 -10.639 1.00 0.00 O ATOM 141 CB THR A 10 -8.035 -1.121 -10.395 1.00 0.00 C ATOM 142 OG1 THR A 10 -9.338 -1.710 -10.522 1.00 0.00 O ATOM 143 CG2 THR A 10 -7.203 -1.936 -9.415 1.00 0.00 C ATOM 0 H THR A 10 -8.910 0.829 -11.817 1.00 0.00 H new ATOM 0 HA THR A 10 -8.674 0.326 -8.963 1.00 0.00 H new ATOM 0 HB THR A 10 -7.533 -1.125 -11.362 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.249 -2.639 -10.821 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.127 -2.964 -9.770 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.205 -1.504 -9.337 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.680 -1.925 -8.435 1.00 0.00 H new ATOM 151 N LEU A 11 -6.608 1.718 -8.706 1.00 0.00 N ATOM 152 CA LEU A 11 -5.380 2.458 -8.493 1.00 0.00 C ATOM 153 C LEU A 11 -4.319 1.564 -7.878 1.00 0.00 C ATOM 154 O LEU A 11 -4.539 0.928 -6.847 1.00 0.00 O ATOM 155 CB LEU A 11 -5.637 3.670 -7.598 1.00 0.00 C ATOM 156 CG LEU A 11 -6.594 4.705 -8.189 1.00 0.00 C ATOM 157 CD1 LEU A 11 -6.891 5.799 -7.178 1.00 0.00 C ATOM 158 CD2 LEU A 11 -6.013 5.301 -9.464 1.00 0.00 C ATOM 0 H LEU A 11 -7.300 1.827 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.018 2.809 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.040 3.324 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.685 4.155 -7.383 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.530 4.204 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.574 6.526 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.350 5.361 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.963 6.297 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.707 6.036 -9.871 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.063 5.785 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.852 4.509 -10.196 1.00 0.00 H new ATOM 170 N THR A 12 -3.177 1.509 -8.536 1.00 0.00 N ATOM 171 CA THR A 12 -2.060 0.718 -8.060 1.00 0.00 C ATOM 172 C THR A 12 -1.108 1.597 -7.253 1.00 0.00 C ATOM 173 O THR A 12 -0.191 2.209 -7.798 1.00 0.00 O ATOM 174 CB THR A 12 -1.312 0.062 -9.236 1.00 0.00 C ATOM 175 OG1 THR A 12 -2.255 -0.577 -10.105 1.00 0.00 O ATOM 176 CG2 THR A 12 -0.306 -0.965 -8.742 1.00 0.00 C ATOM 0 H THR A 12 -2.999 2.007 -9.408 1.00 0.00 H new ATOM 0 HA THR A 12 -2.445 -0.074 -7.418 1.00 0.00 H new ATOM 0 HB THR A 12 -0.773 0.841 -9.775 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.780 -0.993 -10.854 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.207 -1.411 -9.594 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.423 -0.478 -8.094 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.825 -1.743 -8.183 1.00 0.00 H new ATOM 184 N LEU A 13 -1.359 1.672 -5.956 1.00 0.00 N ATOM 185 CA LEU A 13 -0.603 2.557 -5.081 1.00 0.00 C ATOM 186 C LEU A 13 0.600 1.829 -4.500 1.00 0.00 C ATOM 187 O LEU A 13 0.478 0.712 -4.000 1.00 0.00 O ATOM 188 CB LEU A 13 -1.496 3.075 -3.950 1.00 0.00 C ATOM 189 CG LEU A 13 -2.801 3.739 -4.399 1.00 0.00 C ATOM 190 CD1 LEU A 13 -3.594 4.222 -3.197 1.00 0.00 C ATOM 191 CD2 LEU A 13 -2.520 4.891 -5.350 1.00 0.00 C ATOM 0 H LEU A 13 -2.082 1.130 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.250 3.404 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.740 2.242 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.927 3.793 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.396 2.996 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.518 4.691 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.832 3.375 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.002 4.947 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.461 5.348 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.902 5.635 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.995 4.517 -6.229 1.00 0.00 H new ATOM 203 N SER A 14 1.757 2.461 -4.573 1.00 0.00 N ATOM 204 CA SER A 14 2.979 1.868 -4.059 1.00 0.00 C ATOM 205 C SER A 14 3.003 1.910 -2.532 1.00 0.00 C ATOM 206 O SER A 14 2.570 2.891 -1.918 1.00 0.00 O ATOM 207 CB SER A 14 4.193 2.603 -4.630 1.00 0.00 C ATOM 208 OG SER A 14 4.160 2.613 -6.052 1.00 0.00 O ATOM 0 H SER A 14 1.877 3.387 -4.984 1.00 0.00 H new ATOM 0 HA SER A 14 3.016 0.824 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.212 3.627 -4.256 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.109 2.121 -4.287 1.00 0.00 H new ATOM 0 HG SER A 14 4.945 3.090 -6.394 1.00 0.00 H new ATOM 214 N LEU A 15 3.482 0.832 -1.927 1.00 0.00 N ATOM 215 CA LEU A 15 3.622 0.761 -0.481 1.00 0.00 C ATOM 216 C LEU A 15 4.948 1.391 -0.070 1.00 0.00 C ATOM 217 O LEU A 15 6.000 1.038 -0.604 1.00 0.00 O ATOM 218 CB LEU A 15 3.566 -0.698 -0.023 1.00 0.00 C ATOM 219 CG LEU A 15 3.489 -0.913 1.487 1.00 0.00 C ATOM 220 CD1 LEU A 15 2.164 -0.405 2.028 1.00 0.00 C ATOM 221 CD2 LEU A 15 3.678 -2.384 1.824 1.00 0.00 C ATOM 0 H LEU A 15 3.782 -0.010 -2.419 1.00 0.00 H new ATOM 0 HA LEU A 15 2.804 1.306 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.699 -1.172 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.449 -1.213 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 15 4.292 -0.347 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.125 -0.566 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.069 0.660 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.346 -0.944 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.620 -2.520 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.896 -2.971 1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.653 -2.716 1.468 1.00 0.00 H new ATOM 233 N ILE A 16 4.902 2.332 0.860 1.00 0.00 N ATOM 234 CA ILE A 16 6.102 3.048 1.258 1.00 0.00 C ATOM 235 C ILE A 16 6.407 2.882 2.742 1.00 0.00 C ATOM 236 O ILE A 16 5.503 2.832 3.585 1.00 0.00 O ATOM 237 CB ILE A 16 6.008 4.552 0.920 1.00 0.00 C ATOM 238 CG1 ILE A 16 4.759 5.172 1.553 1.00 0.00 C ATOM 239 CG2 ILE A 16 6.008 4.757 -0.589 1.00 0.00 C ATOM 240 CD1 ILE A 16 4.630 6.659 1.311 1.00 0.00 C ATOM 0 H ILE A 16 4.053 2.616 1.350 1.00 0.00 H new ATOM 0 HA ILE A 16 6.918 2.606 0.686 1.00 0.00 H new ATOM 0 HB ILE A 16 6.882 5.055 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.875 4.671 1.158 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.777 4.988 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.941 5.822 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.929 4.355 -1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.153 4.241 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.722 7.028 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.495 7.172 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.579 6.850 0.239 1.00 0.00 H new ATOM 252 N ALA A 17 7.693 2.779 3.041 1.00 0.00 N ATOM 253 CA ALA A 17 8.176 2.711 4.410 1.00 0.00 C ATOM 254 C ALA A 17 8.055 4.073 5.081 1.00 0.00 C ATOM 255 O ALA A 17 8.744 5.021 4.701 1.00 0.00 O ATOM 256 CB ALA A 17 9.621 2.241 4.419 1.00 0.00 C ATOM 0 H ALA A 17 8.432 2.740 2.339 1.00 0.00 H new ATOM 0 HA ALA A 17 7.568 1.999 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.981 2.191 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.685 1.253 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.235 2.942 3.853 1.00 0.00 H new ATOM 262 N LYS A 18 7.167 4.181 6.060 1.00 0.00 N ATOM 263 CA LYS A 18 6.962 5.443 6.757 1.00 0.00 C ATOM 264 C LYS A 18 8.058 5.669 7.794 1.00 0.00 C ATOM 265 O LYS A 18 9.008 6.420 7.563 1.00 0.00 O ATOM 266 CB LYS A 18 5.583 5.470 7.424 1.00 0.00 C ATOM 267 CG LYS A 18 5.257 6.796 8.095 1.00 0.00 C ATOM 268 CD LYS A 18 5.022 7.901 7.079 1.00 0.00 C ATOM 269 CE LYS A 18 4.882 9.258 7.753 1.00 0.00 C ATOM 270 NZ LYS A 18 3.846 9.252 8.822 1.00 0.00 N ATOM 0 H LYS A 18 6.580 3.414 6.388 1.00 0.00 H new ATOM 0 HA LYS A 18 7.009 6.249 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.822 5.255 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.532 4.674 8.167 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.370 6.680 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.075 7.079 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.851 7.929 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.121 7.684 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.841 9.550 8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.625 10.008 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.702 10.221 9.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.952 8.886 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.160 8.645 9.606 1.00 0.00 H new ATOM 284 N ASN A 19 7.932 4.997 8.927 1.00 0.00 N ATOM 285 CA ASN A 19 8.896 5.126 10.007 1.00 0.00 C ATOM 286 C ASN A 19 9.683 3.837 10.142 1.00 0.00 C ATOM 287 O ASN A 19 9.417 3.013 11.013 1.00 0.00 O ATOM 288 CB ASN A 19 8.206 5.473 11.334 1.00 0.00 C ATOM 289 CG ASN A 19 9.196 5.682 12.470 1.00 0.00 C ATOM 290 OD1 ASN A 19 10.322 6.132 12.254 1.00 0.00 O ATOM 291 ND2 ASN A 19 8.781 5.373 13.687 1.00 0.00 N ATOM 0 H ASN A 19 7.166 4.353 9.123 1.00 0.00 H new ATOM 0 HA ASN A 19 9.576 5.943 9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.611 6.377 11.204 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.516 4.673 11.601 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.401 5.505 14.486 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.841 5.002 13.827 1.00 0.00 H new ATOM 298 N THR A 20 10.606 3.644 9.225 1.00 0.00 N ATOM 299 CA THR A 20 11.475 2.485 9.241 1.00 0.00 C ATOM 300 C THR A 20 12.832 2.851 9.837 1.00 0.00 C ATOM 301 O THR A 20 13.578 3.648 9.263 1.00 0.00 O ATOM 302 CB THR A 20 11.647 1.915 7.820 1.00 0.00 C ATOM 303 OG1 THR A 20 10.369 1.529 7.308 1.00 0.00 O ATOM 304 CG2 THR A 20 12.584 0.714 7.815 1.00 0.00 C ATOM 0 H THR A 20 10.776 4.284 8.449 1.00 0.00 H new ATOM 0 HA THR A 20 11.016 1.717 9.863 1.00 0.00 H new ATOM 0 HB THR A 20 12.086 2.689 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.733 2.265 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.684 0.335 6.798 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.563 1.015 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.176 -0.068 8.455 1.00 0.00 H new ATOM 312 N PRO A 21 13.150 2.292 11.018 1.00 0.00 N ATOM 313 CA PRO A 21 14.399 2.578 11.729 1.00 0.00 C ATOM 314 C PRO A 21 15.637 2.185 10.929 1.00 0.00 C ATOM 315 O PRO A 21 15.587 1.294 10.077 1.00 0.00 O ATOM 316 CB PRO A 21 14.301 1.729 13.004 1.00 0.00 C ATOM 317 CG PRO A 21 12.852 1.422 13.153 1.00 0.00 C ATOM 318 CD PRO A 21 12.308 1.342 11.758 1.00 0.00 C ATOM 0 HA PRO A 21 14.510 3.646 11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.891 0.816 12.917 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.680 2.272 13.870 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.704 0.483 13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.345 2.197 13.727 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.386 0.333 11.352 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.255 1.621 11.719 1.00 0.00 H new ATOM 326 N ALA A 22 16.752 2.841 11.231 1.00 0.00 N ATOM 327 CA ALA A 22 18.012 2.598 10.533 1.00 0.00 C ATOM 328 C ALA A 22 18.603 1.232 10.880 1.00 0.00 C ATOM 329 O ALA A 22 19.649 0.849 10.357 1.00 0.00 O ATOM 330 CB ALA A 22 19.010 3.701 10.854 1.00 0.00 C ATOM 0 H ALA A 22 16.810 3.551 11.961 1.00 0.00 H new ATOM 0 HA ALA A 22 17.802 2.601 9.463 1.00 0.00 H new ATOM 0 HB1 ALA A 22 19.945 3.510 10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.605 4.662 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 22 19.195 3.723 11.928 1.00 0.00 H new ATOM 336 N ASN A 23 17.933 0.503 11.763 1.00 0.00 N ATOM 337 CA ASN A 23 18.363 -0.842 12.130 1.00 0.00 C ATOM 338 C ASN A 23 17.472 -1.886 11.473 1.00 0.00 C ATOM 339 O ASN A 23 17.702 -3.089 11.608 1.00 0.00 O ATOM 340 CB ASN A 23 18.350 -1.027 13.650 1.00 0.00 C ATOM 341 CG ASN A 23 19.489 -0.300 14.337 1.00 0.00 C ATOM 342 OD1 ASN A 23 20.566 -0.116 13.761 1.00 0.00 O ATOM 343 ND2 ASN A 23 19.265 0.117 15.574 1.00 0.00 N ATOM 0 H ASN A 23 17.089 0.820 12.239 1.00 0.00 H new ATOM 0 HA ASN A 23 19.385 -0.974 11.774 1.00 0.00 H new ATOM 0 HB2 ASN A 23 17.402 -0.666 14.048 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.410 -2.090 13.883 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.996 0.610 16.086 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.361 -0.055 16.014 1.00 0.00 H new ATOM 350 N SER A 24 16.470 -1.420 10.743 1.00 0.00 N ATOM 351 CA SER A 24 15.546 -2.302 10.057 1.00 0.00 C ATOM 352 C SER A 24 15.822 -2.261 8.560 1.00 0.00 C ATOM 353 O SER A 24 15.677 -1.218 7.919 1.00 0.00 O ATOM 354 CB SER A 24 14.101 -1.885 10.347 1.00 0.00 C ATOM 355 OG SER A 24 13.852 -1.848 11.744 1.00 0.00 O ATOM 0 H SER A 24 16.278 -0.427 10.612 1.00 0.00 H new ATOM 0 HA SER A 24 15.686 -3.321 10.417 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.908 -0.904 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.414 -2.584 9.870 1.00 0.00 H new ATOM 0 HG SER A 24 12.891 -1.735 11.902 1.00 0.00 H new ATOM 361 N MET A 25 16.243 -3.386 8.013 1.00 0.00 N ATOM 362 CA MET A 25 16.598 -3.453 6.607 1.00 0.00 C ATOM 363 C MET A 25 15.547 -4.222 5.825 1.00 0.00 C ATOM 364 O MET A 25 15.312 -5.408 6.072 1.00 0.00 O ATOM 365 CB MET A 25 17.973 -4.096 6.431 1.00 0.00 C ATOM 366 CG MET A 25 18.448 -4.134 4.986 1.00 0.00 C ATOM 367 SD MET A 25 20.131 -4.764 4.815 1.00 0.00 S ATOM 368 CE MET A 25 19.941 -6.422 5.472 1.00 0.00 C ATOM 0 H MET A 25 16.348 -4.265 8.520 1.00 0.00 H new ATOM 0 HA MET A 25 16.640 -2.436 6.216 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.700 -3.547 7.029 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.942 -5.113 6.821 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.771 -4.758 4.403 1.00 0.00 H new ATOM 0 HG3 MET A 25 18.397 -3.130 4.566 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.535 -7.118 4.880 1.00 0.00 H new ATOM 0 HE2 MET A 25 20.281 -6.444 6.507 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.891 -6.713 5.428 1.00 0.00 H new ATOM 378 N ILE A 26 14.913 -3.530 4.895 1.00 0.00 N ATOM 379 CA ILE A 26 13.885 -4.124 4.058 1.00 0.00 C ATOM 380 C ILE A 26 14.508 -4.665 2.777 1.00 0.00 C ATOM 381 O ILE A 26 14.843 -3.898 1.871 1.00 0.00 O ATOM 382 CB ILE A 26 12.804 -3.090 3.684 1.00 0.00 C ATOM 383 CG1 ILE A 26 12.409 -2.262 4.909 1.00 0.00 C ATOM 384 CG2 ILE A 26 11.585 -3.789 3.103 1.00 0.00 C ATOM 385 CD1 ILE A 26 11.518 -1.086 4.577 1.00 0.00 C ATOM 0 H ILE A 26 15.095 -2.546 4.699 1.00 0.00 H new ATOM 0 HA ILE A 26 13.421 -4.932 4.624 1.00 0.00 H new ATOM 0 HB ILE A 26 13.213 -2.418 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.897 -2.906 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 26 13.312 -1.897 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.830 -3.047 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.874 -4.341 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.176 -4.480 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.277 -0.543 5.491 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.036 -0.421 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.599 -1.445 4.115 1.00 0.00 H new ATOM 397 N MET A 27 14.690 -5.975 2.711 1.00 0.00 N ATOM 398 CA MET A 27 15.284 -6.594 1.532 1.00 0.00 C ATOM 399 C MET A 27 14.221 -6.890 0.483 1.00 0.00 C ATOM 400 O MET A 27 14.484 -6.817 -0.718 1.00 0.00 O ATOM 401 CB MET A 27 16.035 -7.872 1.906 1.00 0.00 C ATOM 402 CG MET A 27 17.321 -7.613 2.672 1.00 0.00 C ATOM 403 SD MET A 27 18.199 -9.130 3.092 1.00 0.00 S ATOM 404 CE MET A 27 18.423 -9.856 1.469 1.00 0.00 C ATOM 0 H MET A 27 14.438 -6.628 3.453 1.00 0.00 H new ATOM 0 HA MET A 27 15.999 -5.889 1.108 1.00 0.00 H new ATOM 0 HB2 MET A 27 15.383 -8.505 2.508 1.00 0.00 H new ATOM 0 HB3 MET A 27 16.267 -8.427 0.997 1.00 0.00 H new ATOM 0 HG2 MET A 27 17.972 -6.975 2.075 1.00 0.00 H new ATOM 0 HG3 MET A 27 17.090 -7.067 3.587 1.00 0.00 H new ATOM 0 HE1 MET A 27 19.254 -10.561 1.497 1.00 0.00 H new ATOM 0 HE2 MET A 27 17.513 -10.379 1.176 1.00 0.00 H new ATOM 0 HE3 MET A 27 18.638 -9.070 0.745 1.00 0.00 H new ATOM 414 N THR A 28 13.024 -7.216 0.938 1.00 0.00 N ATOM 415 CA THR A 28 11.911 -7.447 0.036 1.00 0.00 C ATOM 416 C THR A 28 11.297 -6.117 -0.388 1.00 0.00 C ATOM 417 O THR A 28 10.810 -5.361 0.450 1.00 0.00 O ATOM 418 CB THR A 28 10.831 -8.326 0.700 1.00 0.00 C ATOM 419 OG1 THR A 28 11.413 -9.560 1.143 1.00 0.00 O ATOM 420 CG2 THR A 28 9.691 -8.616 -0.267 1.00 0.00 C ATOM 0 H THR A 28 12.798 -7.327 1.927 1.00 0.00 H new ATOM 0 HA THR A 28 12.292 -7.970 -0.841 1.00 0.00 H new ATOM 0 HB THR A 28 10.428 -7.783 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.084 -9.376 1.834 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.944 -9.237 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.233 -7.678 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.079 -9.140 -1.140 1.00 0.00 H new ATOM 428 N LYS A 29 11.343 -5.827 -1.685 1.00 0.00 N ATOM 429 CA LYS A 29 10.773 -4.595 -2.211 1.00 0.00 C ATOM 430 C LYS A 29 9.283 -4.534 -1.904 1.00 0.00 C ATOM 431 O LYS A 29 8.534 -5.455 -2.239 1.00 0.00 O ATOM 432 CB LYS A 29 11.006 -4.494 -3.723 1.00 0.00 C ATOM 433 CG LYS A 29 10.404 -3.247 -4.360 1.00 0.00 C ATOM 434 CD LYS A 29 10.627 -3.228 -5.864 1.00 0.00 C ATOM 435 CE LYS A 29 9.971 -2.021 -6.515 1.00 0.00 C ATOM 436 NZ LYS A 29 10.179 -2.001 -7.987 1.00 0.00 N ATOM 0 H LYS A 29 11.769 -6.429 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 29 11.268 -3.752 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.079 -4.507 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.584 -5.376 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.335 -3.209 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.849 -2.358 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.697 -3.218 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.225 -4.141 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.902 -2.029 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.377 -1.108 -6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.716 -1.162 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.198 -1.967 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.769 -2.859 -8.407 1.00 0.00 H new ATOM 450 N LEU A 30 8.869 -3.460 -1.248 1.00 0.00 N ATOM 451 CA LEU A 30 7.473 -3.273 -0.884 1.00 0.00 C ATOM 452 C LEU A 30 6.598 -3.260 -2.133 1.00 0.00 C ATOM 453 O LEU A 30 6.804 -2.438 -3.030 1.00 0.00 O ATOM 454 CB LEU A 30 7.298 -1.968 -0.102 1.00 0.00 C ATOM 455 CG LEU A 30 8.127 -1.861 1.182 1.00 0.00 C ATOM 456 CD1 LEU A 30 7.888 -0.524 1.860 1.00 0.00 C ATOM 457 CD2 LEU A 30 7.796 -3.001 2.132 1.00 0.00 C ATOM 0 H LEU A 30 9.484 -2.701 -0.956 1.00 0.00 H new ATOM 0 HA LEU A 30 7.165 -4.104 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.559 -1.134 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.245 -1.855 0.154 1.00 0.00 H new ATOM 0 HG LEU A 30 9.181 -1.931 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.485 -0.466 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.175 0.283 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.832 -0.427 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.396 -2.906 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.738 -2.963 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.017 -3.953 1.649 1.00 0.00 H new ATOM 469 N PRO A 31 5.627 -4.182 -2.217 1.00 0.00 N ATOM 470 CA PRO A 31 4.747 -4.305 -3.380 1.00 0.00 C ATOM 471 C PRO A 31 3.783 -3.131 -3.509 1.00 0.00 C ATOM 472 O PRO A 31 3.802 -2.198 -2.704 1.00 0.00 O ATOM 473 CB PRO A 31 3.963 -5.602 -3.120 1.00 0.00 C ATOM 474 CG PRO A 31 4.645 -6.269 -1.974 1.00 0.00 C ATOM 475 CD PRO A 31 5.307 -5.180 -1.187 1.00 0.00 C ATOM 0 HA PRO A 31 5.318 -4.316 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 31 2.921 -5.388 -2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.964 -6.243 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.929 -6.813 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.378 -6.995 -2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.645 -4.774 -0.422 1.00 0.00 H new ATOM 0 HD3 PRO A 31 6.202 -5.536 -0.677 1.00 0.00 H new ATOM 483 N SER A 32 2.947 -3.178 -4.529 1.00 0.00 N ATOM 484 CA SER A 32 1.945 -2.153 -4.737 1.00 0.00 C ATOM 485 C SER A 32 0.556 -2.710 -4.444 1.00 0.00 C ATOM 486 O SER A 32 0.291 -3.893 -4.674 1.00 0.00 O ATOM 487 CB SER A 32 2.028 -1.632 -6.171 1.00 0.00 C ATOM 488 OG SER A 32 2.042 -2.705 -7.101 1.00 0.00 O ATOM 0 H SER A 32 2.943 -3.920 -5.229 1.00 0.00 H new ATOM 0 HA SER A 32 2.132 -1.324 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.179 -0.980 -6.375 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.928 -1.029 -6.292 1.00 0.00 H new ATOM 0 HG SER A 32 2.094 -2.348 -8.012 1.00 0.00 H new ATOM 494 N VAL A 33 -0.318 -1.868 -3.922 1.00 0.00 N ATOM 495 CA VAL A 33 -1.675 -2.282 -3.626 1.00 0.00 C ATOM 496 C VAL A 33 -2.602 -1.879 -4.764 1.00 0.00 C ATOM 497 O VAL A 33 -2.464 -0.802 -5.345 1.00 0.00 O ATOM 498 CB VAL A 33 -2.189 -1.688 -2.293 1.00 0.00 C ATOM 499 CG1 VAL A 33 -1.263 -2.064 -1.149 1.00 0.00 C ATOM 500 CG2 VAL A 33 -2.344 -0.176 -2.383 1.00 0.00 C ATOM 0 H VAL A 33 -0.111 -0.895 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.669 -3.367 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.174 -2.112 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.641 -1.637 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.219 -3.149 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.264 -1.676 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.707 0.210 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.379 0.276 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.057 0.070 -3.169 1.00 0.00 H new ATOM 510 N ARG A 34 -3.528 -2.754 -5.094 1.00 0.00 N ATOM 511 CA ARG A 34 -4.476 -2.492 -6.160 1.00 0.00 C ATOM 512 C ARG A 34 -5.856 -2.268 -5.572 1.00 0.00 C ATOM 513 O ARG A 34 -6.563 -3.218 -5.235 1.00 0.00 O ATOM 514 CB ARG A 34 -4.498 -3.653 -7.152 1.00 0.00 C ATOM 515 CG ARG A 34 -3.221 -3.779 -7.967 1.00 0.00 C ATOM 516 CD ARG A 34 -3.147 -5.116 -8.684 1.00 0.00 C ATOM 517 NE ARG A 34 -3.055 -6.228 -7.738 1.00 0.00 N ATOM 518 CZ ARG A 34 -2.629 -7.447 -8.051 1.00 0.00 C ATOM 519 NH1 ARG A 34 -2.300 -7.743 -9.299 1.00 0.00 N ATOM 520 NH2 ARG A 34 -2.549 -8.378 -7.112 1.00 0.00 N ATOM 0 H ARG A 34 -3.646 -3.658 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.169 -1.594 -6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.665 -4.582 -6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.341 -3.525 -7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.173 -2.971 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.357 -3.668 -7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.029 -5.243 -9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.281 -5.128 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.337 -6.056 -6.773 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.373 -7.033 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.974 -8.681 -9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.814 -8.158 -6.152 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.222 -9.315 -7.349 1.00 0.00 H new ATOM 534 N VAL A 35 -6.223 -1.008 -5.420 1.00 0.00 N ATOM 535 CA VAL A 35 -7.488 -0.660 -4.798 1.00 0.00 C ATOM 536 C VAL A 35 -8.516 -0.247 -5.842 1.00 0.00 C ATOM 537 O VAL A 35 -8.183 0.396 -6.836 1.00 0.00 O ATOM 538 CB VAL A 35 -7.320 0.471 -3.757 1.00 0.00 C ATOM 539 CG1 VAL A 35 -6.356 0.042 -2.663 1.00 0.00 C ATOM 540 CG2 VAL A 35 -6.841 1.759 -4.412 1.00 0.00 C ATOM 0 H VAL A 35 -5.663 -0.209 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.844 -1.552 -4.283 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.296 0.666 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.247 0.848 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.744 -0.846 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.384 -0.184 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.733 2.534 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.879 1.586 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.568 2.080 -5.158 1.00 0.00 H new ATOM 550 N LYS A 36 -9.759 -0.634 -5.622 1.00 0.00 N ATOM 551 CA LYS A 36 -10.837 -0.243 -6.507 1.00 0.00 C ATOM 552 C LYS A 36 -11.470 1.031 -5.980 1.00 0.00 C ATOM 553 O LYS A 36 -11.789 1.118 -4.794 1.00 0.00 O ATOM 554 CB LYS A 36 -11.890 -1.353 -6.604 1.00 0.00 C ATOM 555 CG LYS A 36 -13.052 -1.016 -7.528 1.00 0.00 C ATOM 556 CD LYS A 36 -14.156 -2.059 -7.442 1.00 0.00 C ATOM 557 CE LYS A 36 -15.342 -1.693 -8.324 1.00 0.00 C ATOM 558 NZ LYS A 36 -15.021 -1.801 -9.772 1.00 0.00 N ATOM 0 H LYS A 36 -10.046 -1.219 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.435 -0.071 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.411 -2.266 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.279 -1.561 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.454 -0.037 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.693 -0.949 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.764 -3.030 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.487 -2.155 -6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.182 -2.347 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.659 -0.675 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.589 -1.113 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.010 -1.604 -9.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.239 -2.762 -10.105 1.00 0.00 H new ATOM 572 N THR A 37 -11.625 2.022 -6.839 1.00 0.00 N ATOM 573 CA THR A 37 -12.267 3.260 -6.446 1.00 0.00 C ATOM 574 C THR A 37 -13.489 3.532 -7.320 1.00 0.00 C ATOM 575 O THR A 37 -13.634 2.947 -8.395 1.00 0.00 O ATOM 576 CB THR A 37 -11.288 4.453 -6.494 1.00 0.00 C ATOM 577 OG1 THR A 37 -10.614 4.501 -7.754 1.00 0.00 O ATOM 578 CG2 THR A 37 -10.263 4.362 -5.374 1.00 0.00 C ATOM 0 H THR A 37 -11.316 1.993 -7.810 1.00 0.00 H new ATOM 0 HA THR A 37 -12.594 3.146 -5.412 1.00 0.00 H new ATOM 0 HB THR A 37 -11.871 5.365 -6.364 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.244 3.618 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.586 5.214 -5.431 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.774 4.368 -4.411 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.693 3.438 -5.476 1.00 0.00 H new ATOM 586 N GLU A 38 -14.366 4.398 -6.841 1.00 0.00 N ATOM 587 CA GLU A 38 -15.624 4.682 -7.511 1.00 0.00 C ATOM 588 C GLU A 38 -15.740 6.175 -7.794 1.00 0.00 C ATOM 589 O GLU A 38 -15.306 7.004 -6.987 1.00 0.00 O ATOM 590 CB GLU A 38 -16.791 4.228 -6.627 1.00 0.00 C ATOM 591 CG GLU A 38 -18.134 4.191 -7.338 1.00 0.00 C ATOM 592 CD GLU A 38 -19.298 4.084 -6.373 1.00 0.00 C ATOM 593 OE1 GLU A 38 -19.445 3.033 -5.714 1.00 0.00 O ATOM 594 OE2 GLU A 38 -20.076 5.054 -6.265 1.00 0.00 O ATOM 0 H GLU A 38 -14.226 4.923 -5.978 1.00 0.00 H new ATOM 0 HA GLU A 38 -15.655 4.140 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.571 3.234 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.865 4.897 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -18.247 5.092 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.155 3.344 -8.024 1.00 0.00 H new ATOM 601 N GLY A 39 -16.318 6.516 -8.937 1.00 0.00 N ATOM 602 CA GLY A 39 -16.519 7.907 -9.278 1.00 0.00 C ATOM 603 C GLY A 39 -16.159 8.204 -10.717 1.00 0.00 C ATOM 604 O GLY A 39 -16.741 7.638 -11.643 1.00 0.00 O ATOM 0 H GLY A 39 -16.652 5.851 -9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -17.561 8.174 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.916 8.531 -8.619 1.00 0.00 H new ATOM 608 N TYR A 40 -15.187 9.081 -10.898 1.00 0.00 N ATOM 609 CA TYR A 40 -14.767 9.507 -12.223 1.00 0.00 C ATOM 610 C TYR A 40 -13.262 9.735 -12.229 1.00 0.00 C ATOM 611 O TYR A 40 -12.727 10.393 -11.337 1.00 0.00 O ATOM 612 CB TYR A 40 -15.517 10.785 -12.610 1.00 0.00 C ATOM 613 CG TYR A 40 -15.119 11.376 -13.944 1.00 0.00 C ATOM 614 CD1 TYR A 40 -15.276 10.659 -15.124 1.00 0.00 C ATOM 615 CD2 TYR A 40 -14.597 12.659 -14.020 1.00 0.00 C ATOM 616 CE1 TYR A 40 -14.921 11.208 -16.341 1.00 0.00 C ATOM 617 CE2 TYR A 40 -14.245 13.216 -15.231 1.00 0.00 C ATOM 618 CZ TYR A 40 -14.407 12.488 -16.389 1.00 0.00 C ATOM 619 OH TYR A 40 -14.059 13.045 -17.600 1.00 0.00 O ATOM 0 H TYR A 40 -14.668 9.516 -10.135 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.002 8.734 -12.955 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -16.586 10.571 -12.628 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.355 11.533 -11.834 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -15.681 9.659 -15.089 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.464 13.232 -13.114 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.045 10.638 -17.250 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.844 14.218 -15.271 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.715 13.951 -17.456 1.00 0.00 H new ATOM 629 N ASN A 41 -12.579 9.185 -13.222 1.00 0.00 N ATOM 630 CA ASN A 41 -11.123 9.246 -13.260 1.00 0.00 C ATOM 631 C ASN A 41 -10.608 9.943 -14.519 1.00 0.00 C ATOM 632 O ASN A 41 -10.425 9.322 -15.565 1.00 0.00 O ATOM 633 CB ASN A 41 -10.523 7.837 -13.127 1.00 0.00 C ATOM 634 CG ASN A 41 -11.182 6.810 -14.035 1.00 0.00 C ATOM 635 OD1 ASN A 41 -12.201 6.218 -13.682 1.00 0.00 O ATOM 636 ND2 ASN A 41 -10.600 6.575 -15.201 1.00 0.00 N ATOM 0 H ASN A 41 -13.005 8.694 -14.008 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.799 9.846 -12.410 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.458 7.881 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.615 7.508 -12.092 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.996 5.884 -15.839 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.756 7.085 -15.461 1.00 0.00 H new ATOM 643 N PRO A 42 -10.400 11.266 -14.440 1.00 0.00 N ATOM 644 CA PRO A 42 -9.803 12.036 -15.524 1.00 0.00 C ATOM 645 C PRO A 42 -8.273 12.103 -15.429 1.00 0.00 C ATOM 646 O PRO A 42 -7.567 11.781 -16.385 1.00 0.00 O ATOM 647 CB PRO A 42 -10.424 13.420 -15.336 1.00 0.00 C ATOM 648 CG PRO A 42 -10.746 13.527 -13.876 1.00 0.00 C ATOM 649 CD PRO A 42 -10.775 12.126 -13.306 1.00 0.00 C ATOM 0 HA PRO A 42 -9.994 11.593 -16.501 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.732 14.204 -15.642 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.322 13.532 -15.944 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.999 14.133 -13.363 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.708 14.018 -13.732 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.076 12.019 -12.477 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.764 11.872 -12.924 1.00 0.00 H new ATOM 657 N SER A 43 -7.768 12.496 -14.264 1.00 0.00 N ATOM 658 CA SER A 43 -6.341 12.680 -14.071 1.00 0.00 C ATOM 659 C SER A 43 -5.998 12.624 -12.587 1.00 0.00 C ATOM 660 O SER A 43 -6.154 13.605 -11.857 1.00 0.00 O ATOM 661 CB SER A 43 -5.890 14.013 -14.672 1.00 0.00 C ATOM 662 OG SER A 43 -4.481 14.148 -14.631 1.00 0.00 O ATOM 0 H SER A 43 -8.332 12.693 -13.438 1.00 0.00 H new ATOM 0 HA SER A 43 -5.813 11.874 -14.581 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.234 14.083 -15.704 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.352 14.835 -14.125 1.00 0.00 H new ATOM 0 HG SER A 43 -4.223 15.008 -15.023 1.00 0.00 H new ATOM 668 N ILE A 44 -5.575 11.455 -12.141 1.00 0.00 N ATOM 669 CA ILE A 44 -5.170 11.259 -10.757 1.00 0.00 C ATOM 670 C ILE A 44 -3.694 10.877 -10.705 1.00 0.00 C ATOM 671 O ILE A 44 -3.266 9.937 -11.382 1.00 0.00 O ATOM 672 CB ILE A 44 -6.013 10.160 -10.053 1.00 0.00 C ATOM 673 CG1 ILE A 44 -7.475 10.598 -9.876 1.00 0.00 C ATOM 674 CG2 ILE A 44 -5.414 9.799 -8.701 1.00 0.00 C ATOM 675 CD1 ILE A 44 -8.321 10.457 -11.123 1.00 0.00 C ATOM 0 H ILE A 44 -5.502 10.619 -12.721 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.337 12.197 -10.228 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.995 9.279 -10.695 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.925 10.009 -9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.494 11.639 -9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.022 9.028 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.399 9.426 -8.840 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.391 10.684 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.338 10.787 -10.912 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.899 11.069 -11.920 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.336 9.413 -11.436 1.00 0.00 H new ATOM 687 N ASN A 45 -2.913 11.613 -9.921 1.00 0.00 N ATOM 688 CA ASN A 45 -1.488 11.333 -9.800 1.00 0.00 C ATOM 689 C ASN A 45 -1.241 10.173 -8.839 1.00 0.00 C ATOM 690 O ASN A 45 -1.160 10.346 -7.616 1.00 0.00 O ATOM 691 CB ASN A 45 -0.713 12.575 -9.351 1.00 0.00 C ATOM 692 CG ASN A 45 0.788 12.346 -9.368 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.290 11.511 -10.123 1.00 0.00 O ATOM 694 ND2 ASN A 45 1.516 13.087 -8.550 1.00 0.00 N ATOM 0 H ASN A 45 -3.240 12.402 -9.364 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.124 11.047 -10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.959 13.412 -10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.026 12.853 -8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.530 12.978 -8.529 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.064 13.768 -7.940 1.00 0.00 H new ATOM 701 N VAL A 46 -1.132 8.982 -9.411 1.00 0.00 N ATOM 702 CA VAL A 46 -0.905 7.767 -8.641 1.00 0.00 C ATOM 703 C VAL A 46 0.495 7.774 -8.029 1.00 0.00 C ATOM 704 O VAL A 46 0.779 7.050 -7.081 1.00 0.00 O ATOM 705 CB VAL A 46 -1.083 6.512 -9.525 1.00 0.00 C ATOM 706 CG1 VAL A 46 -1.068 5.247 -8.684 1.00 0.00 C ATOM 707 CG2 VAL A 46 -2.371 6.602 -10.330 1.00 0.00 C ATOM 0 H VAL A 46 -1.198 8.831 -10.418 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.643 7.736 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.244 6.467 -10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.195 4.379 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.117 5.171 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.882 5.282 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.478 5.709 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.220 6.678 -9.651 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.339 7.483 -10.971 1.00 0.00 H new ATOM 717 N ASN A 47 1.361 8.627 -8.565 1.00 0.00 N ATOM 718 CA ASN A 47 2.724 8.747 -8.063 1.00 0.00 C ATOM 719 C ASN A 47 2.772 9.665 -6.847 1.00 0.00 C ATOM 720 O ASN A 47 3.845 9.990 -6.341 1.00 0.00 O ATOM 721 CB ASN A 47 3.659 9.277 -9.153 1.00 0.00 C ATOM 722 CG ASN A 47 3.730 8.359 -10.358 1.00 0.00 C ATOM 723 OD1 ASN A 47 2.966 8.505 -11.313 1.00 0.00 O ATOM 724 ND2 ASN A 47 4.645 7.402 -10.325 1.00 0.00 N ATOM 0 H ASN A 47 1.143 9.245 -9.347 1.00 0.00 H new ATOM 0 HA ASN A 47 3.060 7.753 -7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.318 10.262 -9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.659 9.404 -8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.734 6.755 -11.108 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.260 7.312 -9.516 1.00 0.00 H new ATOM 731 N GLU A 48 1.604 10.094 -6.390 1.00 0.00 N ATOM 732 CA GLU A 48 1.513 10.913 -5.193 1.00 0.00 C ATOM 733 C GLU A 48 0.682 10.204 -4.133 1.00 0.00 C ATOM 734 O GLU A 48 0.927 10.350 -2.936 1.00 0.00 O ATOM 735 CB GLU A 48 0.902 12.273 -5.515 1.00 0.00 C ATOM 736 CG GLU A 48 1.029 13.276 -4.383 1.00 0.00 C ATOM 737 CD GLU A 48 0.551 14.653 -4.775 1.00 0.00 C ATOM 738 OE1 GLU A 48 0.897 15.107 -5.885 1.00 0.00 O ATOM 739 OE2 GLU A 48 -0.171 15.284 -3.975 1.00 0.00 O ATOM 0 H GLU A 48 0.708 9.888 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 48 2.520 11.070 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.384 12.678 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.153 12.141 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.454 12.926 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.071 13.333 -4.067 1.00 0.00 H new ATOM 746 N LEU A 49 -0.312 9.447 -4.576 1.00 0.00 N ATOM 747 CA LEU A 49 -1.107 8.639 -3.662 1.00 0.00 C ATOM 748 C LEU A 49 -0.352 7.365 -3.309 1.00 0.00 C ATOM 749 O LEU A 49 0.103 6.642 -4.193 1.00 0.00 O ATOM 750 CB LEU A 49 -2.458 8.295 -4.287 1.00 0.00 C ATOM 751 CG LEU A 49 -3.307 9.498 -4.700 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.613 9.032 -5.314 1.00 0.00 C ATOM 753 CD2 LEU A 49 -3.571 10.404 -3.505 1.00 0.00 C ATOM 0 H LEU A 49 -0.586 9.375 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.285 9.212 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.287 7.672 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.027 7.695 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.757 10.071 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.208 9.898 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.405 8.424 -6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.166 8.439 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.177 11.254 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.103 9.845 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.623 10.763 -3.104 1.00 0.00 H new ATOM 765 N PHE A 50 -0.213 7.091 -2.020 1.00 0.00 N ATOM 766 CA PHE A 50 0.578 5.952 -1.576 1.00 0.00 C ATOM 767 C PHE A 50 -0.106 5.180 -0.457 1.00 0.00 C ATOM 768 O PHE A 50 -1.079 5.644 0.151 1.00 0.00 O ATOM 769 CB PHE A 50 1.958 6.404 -1.088 1.00 0.00 C ATOM 770 CG PHE A 50 2.870 6.909 -2.170 1.00 0.00 C ATOM 771 CD1 PHE A 50 3.352 6.051 -3.144 1.00 0.00 C ATOM 772 CD2 PHE A 50 3.250 8.242 -2.206 1.00 0.00 C ATOM 773 CE1 PHE A 50 4.197 6.512 -4.135 1.00 0.00 C ATOM 774 CE2 PHE A 50 4.096 8.707 -3.194 1.00 0.00 C ATOM 775 CZ PHE A 50 4.569 7.842 -4.160 1.00 0.00 C ATOM 0 H PHE A 50 -0.634 7.637 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 50 0.684 5.295 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.826 7.191 -0.345 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.442 5.568 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.064 5.010 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.881 8.924 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.566 5.833 -4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.387 9.747 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.229 8.205 -4.934 1.00 0.00 H new ATOM 785 N ALA A 51 0.424 3.993 -0.201 1.00 0.00 N ATOM 786 CA ALA A 51 0.011 3.181 0.924 1.00 0.00 C ATOM 787 C ALA A 51 1.131 3.156 1.957 1.00 0.00 C ATOM 788 O ALA A 51 2.284 2.881 1.624 1.00 0.00 O ATOM 789 CB ALA A 51 -0.333 1.775 0.462 1.00 0.00 C ATOM 0 H ALA A 51 1.155 3.568 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.882 3.610 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.642 1.176 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.146 1.819 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.542 1.320 -0.002 1.00 0.00 H new ATOM 795 N TYR A 52 0.797 3.456 3.196 1.00 0.00 N ATOM 796 CA TYR A 52 1.793 3.600 4.245 1.00 0.00 C ATOM 797 C TYR A 52 1.820 2.381 5.156 1.00 0.00 C ATOM 798 O TYR A 52 0.777 1.832 5.509 1.00 0.00 O ATOM 799 CB TYR A 52 1.499 4.847 5.087 1.00 0.00 C ATOM 800 CG TYR A 52 1.512 6.147 4.311 1.00 0.00 C ATOM 801 CD1 TYR A 52 0.447 6.507 3.494 1.00 0.00 C ATOM 802 CD2 TYR A 52 2.590 7.018 4.403 1.00 0.00 C ATOM 803 CE1 TYR A 52 0.457 7.693 2.789 1.00 0.00 C ATOM 804 CE2 TYR A 52 2.606 8.208 3.701 1.00 0.00 C ATOM 805 CZ TYR A 52 1.538 8.541 2.896 1.00 0.00 C ATOM 806 OH TYR A 52 1.553 9.727 2.196 1.00 0.00 O ATOM 0 H TYR A 52 -0.163 3.606 3.505 1.00 0.00 H new ATOM 0 HA TYR A 52 2.766 3.698 3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.523 4.730 5.558 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.235 4.910 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.403 5.847 3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.429 6.761 5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.378 7.955 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.452 8.874 3.783 1.00 0.00 H new ATOM 0 HH TYR A 52 0.633 10.009 2.010 1.00 0.00 H new ATOM 816 N VAL A 53 3.018 1.953 5.520 1.00 0.00 N ATOM 817 CA VAL A 53 3.190 0.952 6.562 1.00 0.00 C ATOM 818 C VAL A 53 4.139 1.475 7.627 1.00 0.00 C ATOM 819 O VAL A 53 5.226 1.979 7.318 1.00 0.00 O ATOM 820 CB VAL A 53 3.714 -0.399 6.021 1.00 0.00 C ATOM 821 CG1 VAL A 53 2.589 -1.187 5.370 1.00 0.00 C ATOM 822 CG2 VAL A 53 4.858 -0.188 5.039 1.00 0.00 C ATOM 0 H VAL A 53 3.890 2.285 5.107 1.00 0.00 H new ATOM 0 HA VAL A 53 2.204 0.767 6.988 1.00 0.00 H new ATOM 0 HB VAL A 53 4.096 -0.974 6.864 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.977 -2.134 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.808 -1.380 6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.174 -0.612 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.207 -1.154 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.510 0.413 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.677 0.328 5.540 1.00 0.00 H new ATOM 832 N ASP A 54 3.725 1.382 8.880 1.00 0.00 N ATOM 833 CA ASP A 54 4.542 1.886 9.971 1.00 0.00 C ATOM 834 C ASP A 54 5.489 0.796 10.443 1.00 0.00 C ATOM 835 O ASP A 54 5.147 -0.023 11.294 1.00 0.00 O ATOM 836 CB ASP A 54 3.677 2.387 11.128 1.00 0.00 C ATOM 837 CG ASP A 54 4.442 3.318 12.048 1.00 0.00 C ATOM 838 OD1 ASP A 54 5.097 2.833 12.994 1.00 0.00 O ATOM 839 OD2 ASP A 54 4.392 4.550 11.823 1.00 0.00 O ATOM 0 H ASP A 54 2.838 0.967 9.165 1.00 0.00 H new ATOM 0 HA ASP A 54 5.122 2.734 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.805 2.906 10.730 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.308 1.536 11.700 1.00 0.00 H new ATOM 844 N LEU A 55 6.672 0.782 9.858 1.00 0.00 N ATOM 845 CA LEU A 55 7.651 -0.265 10.110 1.00 0.00 C ATOM 846 C LEU A 55 8.531 0.064 11.308 1.00 0.00 C ATOM 847 O LEU A 55 9.727 -0.226 11.302 1.00 0.00 O ATOM 848 CB LEU A 55 8.510 -0.467 8.863 1.00 0.00 C ATOM 849 CG LEU A 55 7.812 -1.198 7.719 1.00 0.00 C ATOM 850 CD1 LEU A 55 8.585 -1.038 6.423 1.00 0.00 C ATOM 851 CD2 LEU A 55 7.668 -2.668 8.063 1.00 0.00 C ATOM 0 H LEU A 55 6.983 1.493 9.196 1.00 0.00 H new ATOM 0 HA LEU A 55 7.115 -1.185 10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.841 0.508 8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.404 -1.025 9.141 1.00 0.00 H new ATOM 0 HG LEU A 55 6.823 -0.761 7.580 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.068 -1.568 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.657 0.020 6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.586 -1.451 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.169 -3.186 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.655 -3.103 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.076 -2.773 8.972 1.00 0.00 H new ATOM 863 N SER A 56 7.929 0.644 12.339 1.00 0.00 N ATOM 864 CA SER A 56 8.648 0.947 13.567 1.00 0.00 C ATOM 865 C SER A 56 9.014 -0.344 14.288 1.00 0.00 C ATOM 866 O SER A 56 9.973 -0.388 15.066 1.00 0.00 O ATOM 867 CB SER A 56 7.803 1.852 14.466 1.00 0.00 C ATOM 868 OG SER A 56 6.483 1.349 14.605 1.00 0.00 O ATOM 0 H SER A 56 6.945 0.913 12.348 1.00 0.00 H new ATOM 0 HA SER A 56 9.568 1.477 13.320 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.270 1.932 15.448 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.770 2.857 14.046 1.00 0.00 H new ATOM 0 HG SER A 56 5.927 1.680 13.869 1.00 0.00 H new ATOM 874 N GLY A 57 8.240 -1.393 14.015 1.00 0.00 N ATOM 875 CA GLY A 57 8.544 -2.708 14.535 1.00 0.00 C ATOM 876 C GLY A 57 9.907 -3.173 14.079 1.00 0.00 C ATOM 877 O GLY A 57 10.124 -3.433 12.896 1.00 0.00 O ATOM 0 H GLY A 57 7.401 -1.349 13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.509 -2.688 15.624 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.785 -3.417 14.204 1.00 0.00 H new ATOM 881 N SER A 58 10.829 -3.273 15.017 1.00 0.00 N ATOM 882 CA SER A 58 12.211 -3.567 14.698 1.00 0.00 C ATOM 883 C SER A 58 12.498 -5.055 14.863 1.00 0.00 C ATOM 884 O SER A 58 13.638 -5.459 15.107 1.00 0.00 O ATOM 885 CB SER A 58 13.118 -2.740 15.604 1.00 0.00 C ATOM 886 OG SER A 58 12.705 -1.380 15.619 1.00 0.00 O ATOM 0 H SER A 58 10.643 -3.154 16.013 1.00 0.00 H new ATOM 0 HA SER A 58 12.404 -3.306 13.657 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.095 -3.144 16.616 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.149 -2.809 15.256 1.00 0.00 H new ATOM 0 HG SER A 58 13.297 -0.865 16.206 1.00 0.00 H new ATOM 892 N GLU A 59 11.458 -5.863 14.718 1.00 0.00 N ATOM 893 CA GLU A 59 11.586 -7.305 14.838 1.00 0.00 C ATOM 894 C GLU A 59 11.966 -7.924 13.500 1.00 0.00 C ATOM 895 O GLU A 59 11.197 -7.860 12.539 1.00 0.00 O ATOM 896 CB GLU A 59 10.280 -7.927 15.322 1.00 0.00 C ATOM 897 CG GLU A 59 9.824 -7.436 16.681 1.00 0.00 C ATOM 898 CD GLU A 59 8.654 -8.235 17.207 1.00 0.00 C ATOM 899 OE1 GLU A 59 7.499 -7.884 16.896 1.00 0.00 O ATOM 900 OE2 GLU A 59 8.888 -9.231 17.923 1.00 0.00 O ATOM 0 H GLU A 59 10.512 -5.541 14.516 1.00 0.00 H new ATOM 0 HA GLU A 59 12.371 -7.507 15.566 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.498 -7.718 14.592 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.399 -9.010 15.360 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.653 -7.499 17.386 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.544 -6.385 16.612 1.00 0.00 H new ATOM 907 N PRO A 60 13.159 -8.523 13.419 1.00 0.00 N ATOM 908 CA PRO A 60 13.602 -9.226 12.220 1.00 0.00 C ATOM 909 C PRO A 60 12.766 -10.476 11.972 1.00 0.00 C ATOM 910 O PRO A 60 12.386 -11.184 12.912 1.00 0.00 O ATOM 911 CB PRO A 60 15.059 -9.605 12.524 1.00 0.00 C ATOM 912 CG PRO A 60 15.440 -8.792 13.715 1.00 0.00 C ATOM 913 CD PRO A 60 14.171 -8.562 14.481 1.00 0.00 C ATOM 0 HA PRO A 60 13.501 -8.614 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.153 -10.671 12.730 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.707 -9.386 11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.175 -9.316 14.326 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.891 -7.846 13.414 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.978 -9.362 15.196 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.202 -7.630 15.046 1.00 0.00 H new ATOM 921 N GLY A 61 12.468 -10.729 10.713 1.00 0.00 N ATOM 922 CA GLY A 61 11.670 -11.872 10.348 1.00 0.00 C ATOM 923 C GLY A 61 10.534 -11.472 9.437 1.00 0.00 C ATOM 924 O GLY A 61 10.647 -10.498 8.692 1.00 0.00 O ATOM 0 H GLY A 61 12.770 -10.154 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.296 -12.613 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.271 -12.343 11.246 1.00 0.00 H new ATOM 928 N GLU A 62 9.441 -12.206 9.502 1.00 0.00 N ATOM 929 CA GLU A 62 8.274 -11.905 8.696 1.00 0.00 C ATOM 930 C GLU A 62 7.102 -11.544 9.594 1.00 0.00 C ATOM 931 O GLU A 62 6.518 -12.406 10.252 1.00 0.00 O ATOM 932 CB GLU A 62 7.928 -13.092 7.802 1.00 0.00 C ATOM 933 CG GLU A 62 9.061 -13.484 6.872 1.00 0.00 C ATOM 934 CD GLU A 62 8.710 -14.654 5.986 1.00 0.00 C ATOM 935 OE1 GLU A 62 8.165 -14.427 4.888 1.00 0.00 O ATOM 936 OE2 GLU A 62 8.993 -15.807 6.375 1.00 0.00 O ATOM 0 H GLU A 62 9.336 -13.020 10.108 1.00 0.00 H new ATOM 0 HA GLU A 62 8.494 -11.051 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.666 -13.946 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.046 -12.848 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.327 -12.629 6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.942 -13.733 7.464 1.00 0.00 H new ATOM 943 N HIS A 63 6.781 -10.263 9.636 1.00 0.00 N ATOM 944 CA HIS A 63 5.723 -9.766 10.506 1.00 0.00 C ATOM 945 C HIS A 63 4.663 -9.054 9.684 1.00 0.00 C ATOM 946 O HIS A 63 4.966 -8.473 8.642 1.00 0.00 O ATOM 947 CB HIS A 63 6.295 -8.821 11.569 1.00 0.00 C ATOM 948 CG HIS A 63 7.159 -9.508 12.585 1.00 0.00 C ATOM 949 ND1 HIS A 63 6.758 -9.730 13.881 1.00 0.00 N ATOM 950 CD2 HIS A 63 8.404 -10.034 12.485 1.00 0.00 C ATOM 951 CE1 HIS A 63 7.714 -10.359 14.535 1.00 0.00 C ATOM 952 NE2 HIS A 63 8.727 -10.559 13.710 1.00 0.00 N ATOM 0 H HIS A 63 7.238 -9.543 9.076 1.00 0.00 H new ATOM 0 HA HIS A 63 5.265 -10.615 11.014 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.878 -8.044 11.075 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.471 -8.324 12.082 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.027 -10.039 11.603 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.676 -10.660 15.571 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.603 -11.026 13.945 1.00 0.00 H new ATOM 961 N ASP A 64 3.422 -9.109 10.142 1.00 0.00 N ATOM 962 CA ASP A 64 2.321 -8.501 9.408 1.00 0.00 C ATOM 963 C ASP A 64 2.248 -7.013 9.687 1.00 0.00 C ATOM 964 O ASP A 64 2.323 -6.581 10.837 1.00 0.00 O ATOM 965 CB ASP A 64 0.979 -9.136 9.777 1.00 0.00 C ATOM 966 CG ASP A 64 0.916 -10.617 9.487 1.00 0.00 C ATOM 967 OD1 ASP A 64 0.964 -11.003 8.303 1.00 0.00 O ATOM 968 OD2 ASP A 64 0.792 -11.403 10.452 1.00 0.00 O ATOM 0 H ASP A 64 3.152 -9.565 11.013 1.00 0.00 H new ATOM 0 HA ASP A 64 2.514 -8.671 8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.788 -8.973 10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.184 -8.632 9.228 1.00 0.00 H new ATOM 973 N TYR A 65 2.115 -6.238 8.631 1.00 0.00 N ATOM 974 CA TYR A 65 1.866 -4.816 8.748 1.00 0.00 C ATOM 975 C TYR A 65 0.654 -4.461 7.904 1.00 0.00 C ATOM 976 O TYR A 65 0.497 -4.963 6.791 1.00 0.00 O ATOM 977 CB TYR A 65 3.096 -4.009 8.323 1.00 0.00 C ATOM 978 CG TYR A 65 4.264 -4.169 9.273 1.00 0.00 C ATOM 979 CD1 TYR A 65 4.386 -3.352 10.390 1.00 0.00 C ATOM 980 CD2 TYR A 65 5.234 -5.142 9.063 1.00 0.00 C ATOM 981 CE1 TYR A 65 5.441 -3.500 11.271 1.00 0.00 C ATOM 982 CE2 TYR A 65 6.293 -5.294 9.939 1.00 0.00 C ATOM 983 CZ TYR A 65 6.391 -4.472 11.041 1.00 0.00 C ATOM 984 OH TYR A 65 7.441 -4.621 11.919 1.00 0.00 O ATOM 0 H TYR A 65 2.176 -6.574 7.670 1.00 0.00 H new ATOM 0 HA TYR A 65 1.664 -4.564 9.789 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.401 -4.321 7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.828 -2.954 8.259 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.644 -2.589 10.573 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.159 -5.790 8.202 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.521 -2.857 12.135 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.040 -6.053 9.761 1.00 0.00 H new ATOM 0 HH TYR A 65 8.104 -3.918 11.758 1.00 0.00 H new ATOM 994 N GLU A 66 -0.217 -3.631 8.443 1.00 0.00 N ATOM 995 CA GLU A 66 -1.477 -3.338 7.783 1.00 0.00 C ATOM 996 C GLU A 66 -1.329 -2.165 6.830 1.00 0.00 C ATOM 997 O GLU A 66 -0.712 -1.152 7.161 1.00 0.00 O ATOM 998 CB GLU A 66 -2.567 -3.074 8.821 1.00 0.00 C ATOM 999 CG GLU A 66 -2.889 -4.304 9.654 1.00 0.00 C ATOM 1000 CD GLU A 66 -3.795 -4.007 10.826 1.00 0.00 C ATOM 1001 OE1 GLU A 66 -3.277 -3.629 11.896 1.00 0.00 O ATOM 1002 OE2 GLU A 66 -5.023 -4.171 10.694 1.00 0.00 O ATOM 0 H GLU A 66 -0.078 -3.149 9.331 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.771 -4.206 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.248 -2.266 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.471 -2.735 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.362 -5.052 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.960 -4.739 10.022 1.00 0.00 H new ATOM 1009 N VAL A 67 -1.885 -2.328 5.639 1.00 0.00 N ATOM 1010 CA VAL A 67 -1.785 -1.323 4.597 1.00 0.00 C ATOM 1011 C VAL A 67 -2.643 -0.113 4.932 1.00 0.00 C ATOM 1012 O VAL A 67 -3.868 -0.139 4.794 1.00 0.00 O ATOM 1013 CB VAL A 67 -2.205 -1.893 3.227 1.00 0.00 C ATOM 1014 CG1 VAL A 67 -2.102 -0.830 2.144 1.00 0.00 C ATOM 1015 CG2 VAL A 67 -1.355 -3.102 2.869 1.00 0.00 C ATOM 0 H VAL A 67 -2.415 -3.157 5.371 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.741 -1.016 4.539 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.246 -2.210 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.403 -1.255 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.756 0.006 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.073 -0.478 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.666 -3.491 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.306 -2.809 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.483 -3.874 3.627 1.00 0.00 H new ATOM 1025 N LYS A 68 -1.987 0.935 5.398 1.00 0.00 N ATOM 1026 CA LYS A 68 -2.654 2.175 5.738 1.00 0.00 C ATOM 1027 C LYS A 68 -2.634 3.111 4.536 1.00 0.00 C ATOM 1028 O LYS A 68 -1.622 3.735 4.236 1.00 0.00 O ATOM 1029 CB LYS A 68 -1.959 2.809 6.946 1.00 0.00 C ATOM 1030 CG LYS A 68 -2.531 4.145 7.380 1.00 0.00 C ATOM 1031 CD LYS A 68 -1.847 4.631 8.646 1.00 0.00 C ATOM 1032 CE LYS A 68 -2.295 6.026 9.032 1.00 0.00 C ATOM 1033 NZ LYS A 68 -1.694 6.456 10.322 1.00 0.00 N ATOM 0 H LYS A 68 -0.979 0.949 5.550 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.694 1.982 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.015 2.116 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.903 2.941 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.400 4.879 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.603 4.049 7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.063 3.942 9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.767 4.624 8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.015 6.729 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.382 6.051 9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.022 7.415 10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.981 5.799 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.657 6.455 10.239 1.00 0.00 H new ATOM 1047 N VAL A 69 -3.752 3.192 3.841 1.00 0.00 N ATOM 1048 CA VAL A 69 -3.827 3.969 2.614 1.00 0.00 C ATOM 1049 C VAL A 69 -4.173 5.418 2.931 1.00 0.00 C ATOM 1050 O VAL A 69 -4.926 5.689 3.867 1.00 0.00 O ATOM 1051 CB VAL A 69 -4.884 3.384 1.647 1.00 0.00 C ATOM 1052 CG1 VAL A 69 -4.897 4.137 0.325 1.00 0.00 C ATOM 1053 CG2 VAL A 69 -4.633 1.901 1.414 1.00 0.00 C ATOM 0 H VAL A 69 -4.623 2.730 4.103 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.852 3.925 2.129 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.864 3.502 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.649 3.703 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.134 5.185 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.917 4.063 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.386 1.507 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.643 1.763 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.690 1.369 2.363 1.00 0.00 H new ATOM 1063 N GLU A 70 -3.596 6.344 2.177 1.00 0.00 N ATOM 1064 CA GLU A 70 -3.926 7.753 2.333 1.00 0.00 C ATOM 1065 C GLU A 70 -5.264 8.040 1.653 1.00 0.00 C ATOM 1066 O GLU A 70 -5.391 7.900 0.435 1.00 0.00 O ATOM 1067 CB GLU A 70 -2.816 8.632 1.746 1.00 0.00 C ATOM 1068 CG GLU A 70 -2.962 10.107 2.085 1.00 0.00 C ATOM 1069 CD GLU A 70 -1.776 10.932 1.630 1.00 0.00 C ATOM 1070 OE1 GLU A 70 -0.752 10.953 2.342 1.00 0.00 O ATOM 1071 OE2 GLU A 70 -1.864 11.575 0.562 1.00 0.00 O ATOM 0 H GLU A 70 -2.902 6.146 1.456 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.011 7.988 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.852 8.278 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.808 8.516 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.869 10.494 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.084 10.218 3.162 1.00 0.00 H new ATOM 1078 N PRO A 71 -6.286 8.412 2.443 1.00 0.00 N ATOM 1079 CA PRO A 71 -7.644 8.650 1.937 1.00 0.00 C ATOM 1080 C PRO A 71 -7.685 9.696 0.829 1.00 0.00 C ATOM 1081 O PRO A 71 -7.131 10.791 0.965 1.00 0.00 O ATOM 1082 CB PRO A 71 -8.407 9.146 3.169 1.00 0.00 C ATOM 1083 CG PRO A 71 -7.635 8.622 4.329 1.00 0.00 C ATOM 1084 CD PRO A 71 -6.198 8.630 3.896 1.00 0.00 C ATOM 0 HA PRO A 71 -8.068 7.751 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.462 10.234 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.432 8.775 3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.782 9.245 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.959 7.615 4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.711 9.576 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.624 7.844 4.388 1.00 0.00 H new ATOM 1092 N ILE A 72 -8.357 9.355 -0.258 1.00 0.00 N ATOM 1093 CA ILE A 72 -8.435 10.223 -1.422 1.00 0.00 C ATOM 1094 C ILE A 72 -9.697 11.079 -1.367 1.00 0.00 C ATOM 1095 O ILE A 72 -10.798 10.553 -1.219 1.00 0.00 O ATOM 1096 CB ILE A 72 -8.450 9.397 -2.727 1.00 0.00 C ATOM 1097 CG1 ILE A 72 -7.344 8.338 -2.698 1.00 0.00 C ATOM 1098 CG2 ILE A 72 -8.281 10.310 -3.934 1.00 0.00 C ATOM 1099 CD1 ILE A 72 -7.429 7.341 -3.834 1.00 0.00 C ATOM 0 H ILE A 72 -8.861 8.474 -0.359 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.554 10.865 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.412 8.891 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.375 8.836 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.391 7.801 -1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.294 9.713 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.097 11.032 -3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.331 10.839 -3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.614 6.622 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.383 6.816 -3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.351 7.866 -4.786 1.00 0.00 H new ATOM 1111 N PRO A 73 -9.554 12.409 -1.456 1.00 0.00 N ATOM 1112 CA PRO A 73 -10.696 13.322 -1.516 1.00 0.00 C ATOM 1113 C PRO A 73 -11.429 13.214 -2.850 1.00 0.00 C ATOM 1114 O PRO A 73 -10.797 13.022 -3.893 1.00 0.00 O ATOM 1115 CB PRO A 73 -10.067 14.717 -1.362 1.00 0.00 C ATOM 1116 CG PRO A 73 -8.651 14.478 -0.949 1.00 0.00 C ATOM 1117 CD PRO A 73 -8.278 13.131 -1.494 1.00 0.00 C ATOM 0 HA PRO A 73 -11.438 13.100 -0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.113 15.273 -2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -10.599 15.306 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.994 15.253 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.553 14.500 0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.880 13.199 -2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.517 12.643 -0.885 1.00 0.00 H new ATOM 1125 N ASN A 74 -12.762 13.304 -2.799 1.00 0.00 N ATOM 1126 CA ASN A 74 -13.624 13.259 -3.994 1.00 0.00 C ATOM 1127 C ASN A 74 -13.730 11.844 -4.565 1.00 0.00 C ATOM 1128 O ASN A 74 -14.817 11.392 -4.924 1.00 0.00 O ATOM 1129 CB ASN A 74 -13.131 14.238 -5.076 1.00 0.00 C ATOM 1130 CG ASN A 74 -13.982 14.212 -6.336 1.00 0.00 C ATOM 1131 OD1 ASN A 74 -14.981 14.922 -6.443 1.00 0.00 O ATOM 1132 ND2 ASN A 74 -13.576 13.416 -7.317 1.00 0.00 N ATOM 0 H ASN A 74 -13.279 13.411 -1.926 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.620 13.568 -3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.127 15.249 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.101 13.995 -5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.097 13.380 -8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.743 12.840 -7.195 1.00 0.00 H new ATOM 1139 N ILE A 75 -12.607 11.148 -4.650 1.00 0.00 N ATOM 1140 CA ILE A 75 -12.588 9.791 -5.171 1.00 0.00 C ATOM 1141 C ILE A 75 -12.947 8.795 -4.072 1.00 0.00 C ATOM 1142 O ILE A 75 -12.262 8.696 -3.055 1.00 0.00 O ATOM 1143 CB ILE A 75 -11.213 9.435 -5.776 1.00 0.00 C ATOM 1144 CG1 ILE A 75 -10.870 10.393 -6.925 1.00 0.00 C ATOM 1145 CG2 ILE A 75 -11.194 7.992 -6.262 1.00 0.00 C ATOM 1146 CD1 ILE A 75 -11.863 10.358 -8.069 1.00 0.00 C ATOM 0 H ILE A 75 -11.694 11.502 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.332 9.733 -5.966 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.458 9.542 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.816 11.409 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.880 10.146 -7.308 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.216 7.763 -6.684 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.393 7.323 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -11.960 7.855 -7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.553 11.061 -8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.901 9.352 -8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.851 10.635 -7.702 1.00 0.00 H new ATOM 1158 N LYS A 76 -14.029 8.065 -4.290 1.00 0.00 N ATOM 1159 CA LYS A 76 -14.533 7.107 -3.315 1.00 0.00 C ATOM 1160 C LYS A 76 -13.750 5.801 -3.392 1.00 0.00 C ATOM 1161 O LYS A 76 -13.649 5.201 -4.457 1.00 0.00 O ATOM 1162 CB LYS A 76 -16.017 6.856 -3.592 1.00 0.00 C ATOM 1163 CG LYS A 76 -16.638 5.734 -2.776 1.00 0.00 C ATOM 1164 CD LYS A 76 -18.044 5.437 -3.267 1.00 0.00 C ATOM 1165 CE LYS A 76 -18.653 4.235 -2.568 1.00 0.00 C ATOM 1166 NZ LYS A 76 -19.970 3.875 -3.155 1.00 0.00 N ATOM 0 H LYS A 76 -14.583 8.118 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.410 7.512 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.569 7.776 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.141 6.628 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.023 4.837 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.665 6.014 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.676 6.310 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.021 5.257 -4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.974 3.385 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -18.773 4.452 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.500 3.285 -2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.509 4.741 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.823 3.346 -4.039 1.00 0.00 H new ATOM 1180 N ILE A 77 -13.192 5.365 -2.274 1.00 0.00 N ATOM 1181 CA ILE A 77 -12.461 4.108 -2.240 1.00 0.00 C ATOM 1182 C ILE A 77 -13.410 2.953 -1.920 1.00 0.00 C ATOM 1183 O ILE A 77 -14.224 3.033 -0.996 1.00 0.00 O ATOM 1184 CB ILE A 77 -11.282 4.148 -1.234 1.00 0.00 C ATOM 1185 CG1 ILE A 77 -10.482 2.841 -1.294 1.00 0.00 C ATOM 1186 CG2 ILE A 77 -11.776 4.413 0.183 1.00 0.00 C ATOM 1187 CD1 ILE A 77 -9.224 2.857 -0.452 1.00 0.00 C ATOM 0 H ILE A 77 -13.231 5.859 -1.383 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.031 3.949 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.625 4.970 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.119 2.020 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.212 2.638 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.927 4.435 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.293 5.372 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.462 3.621 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.712 1.899 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.566 3.655 -0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.487 3.028 0.592 1.00 0.00 H new ATOM 1199 N VAL A 78 -13.323 1.892 -2.707 1.00 0.00 N ATOM 1200 CA VAL A 78 -14.238 0.768 -2.582 1.00 0.00 C ATOM 1201 C VAL A 78 -13.595 -0.389 -1.823 1.00 0.00 C ATOM 1202 O VAL A 78 -14.094 -0.810 -0.780 1.00 0.00 O ATOM 1203 CB VAL A 78 -14.698 0.268 -3.968 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -15.741 -0.828 -3.833 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -15.233 1.417 -4.807 1.00 0.00 C ATOM 0 H VAL A 78 -12.624 1.786 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.103 1.124 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.831 -0.152 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -16.048 -1.162 -4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -15.317 -1.668 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.607 -0.442 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.551 1.040 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -16.083 1.874 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.450 2.162 -4.945 1.00 0.00 H new ATOM 1215 N GLU A 79 -12.484 -0.890 -2.341 1.00 0.00 N ATOM 1216 CA GLU A 79 -11.852 -2.074 -1.772 1.00 0.00 C ATOM 1217 C GLU A 79 -10.338 -1.910 -1.721 1.00 0.00 C ATOM 1218 O GLU A 79 -9.751 -1.261 -2.588 1.00 0.00 O ATOM 1219 CB GLU A 79 -12.210 -3.307 -2.608 1.00 0.00 C ATOM 1220 CG GLU A 79 -11.843 -4.624 -1.944 1.00 0.00 C ATOM 1221 CD GLU A 79 -12.192 -5.825 -2.795 1.00 0.00 C ATOM 1222 OE1 GLU A 79 -13.356 -6.277 -2.746 1.00 0.00 O ATOM 1223 OE2 GLU A 79 -11.300 -6.327 -3.512 1.00 0.00 O ATOM 0 H GLU A 79 -12.002 -0.499 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.220 -2.204 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.281 -3.299 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.703 -3.242 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.774 -4.633 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.359 -4.700 -0.987 1.00 0.00 H new ATOM 1230 N ILE A 80 -9.717 -2.501 -0.707 1.00 0.00 N ATOM 1231 CA ILE A 80 -8.272 -2.451 -0.552 1.00 0.00 C ATOM 1232 C ILE A 80 -7.679 -3.853 -0.679 1.00 0.00 C ATOM 1233 O ILE A 80 -8.048 -4.760 0.063 1.00 0.00 O ATOM 1234 CB ILE A 80 -7.866 -1.850 0.815 1.00 0.00 C ATOM 1235 CG1 ILE A 80 -8.509 -0.473 1.007 1.00 0.00 C ATOM 1236 CG2 ILE A 80 -6.350 -1.749 0.924 1.00 0.00 C ATOM 1237 CD1 ILE A 80 -8.215 0.154 2.354 1.00 0.00 C ATOM 0 H ILE A 80 -10.198 -3.024 0.025 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.881 -1.809 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.225 -2.512 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.157 0.195 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.588 -0.566 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.082 -1.324 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.911 -2.742 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.970 -1.108 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.703 1.127 2.417 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.592 -0.493 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.138 0.280 2.469 1.00 0.00 H new ATOM 1249 N SER A 81 -6.776 -4.035 -1.629 1.00 0.00 N ATOM 1250 CA SER A 81 -6.139 -5.328 -1.827 1.00 0.00 C ATOM 1251 C SER A 81 -4.644 -5.164 -2.098 1.00 0.00 C ATOM 1252 O SER A 81 -4.253 -4.581 -3.111 1.00 0.00 O ATOM 1253 CB SER A 81 -6.803 -6.073 -2.989 1.00 0.00 C ATOM 1254 OG SER A 81 -8.169 -6.347 -2.709 1.00 0.00 O ATOM 0 H SER A 81 -6.468 -3.307 -2.273 1.00 0.00 H new ATOM 0 HA SER A 81 -6.261 -5.910 -0.914 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.728 -5.476 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.273 -7.007 -3.176 1.00 0.00 H new ATOM 0 HG SER A 81 -8.570 -6.821 -3.467 1.00 0.00 H new ATOM 1260 N PRO A 82 -3.783 -5.674 -1.201 1.00 0.00 N ATOM 1261 CA PRO A 82 -4.188 -6.340 0.036 1.00 0.00 C ATOM 1262 C PRO A 82 -4.407 -5.353 1.181 1.00 0.00 C ATOM 1263 O PRO A 82 -4.086 -4.170 1.068 1.00 0.00 O ATOM 1264 CB PRO A 82 -2.999 -7.263 0.353 1.00 0.00 C ATOM 1265 CG PRO A 82 -1.939 -6.956 -0.664 1.00 0.00 C ATOM 1266 CD PRO A 82 -2.328 -5.663 -1.326 1.00 0.00 C ATOM 0 HA PRO A 82 -5.136 -6.865 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.630 -7.087 1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.296 -8.310 0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.962 -6.867 -0.189 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.865 -7.758 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.884 -4.801 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.010 -5.628 -2.368 1.00 0.00 H new ATOM 1274 N ARG A 83 -4.953 -5.849 2.281 1.00 0.00 N ATOM 1275 CA ARG A 83 -5.204 -5.027 3.457 1.00 0.00 C ATOM 1276 C ARG A 83 -4.095 -5.218 4.483 1.00 0.00 C ATOM 1277 O ARG A 83 -3.747 -4.297 5.221 1.00 0.00 O ATOM 1278 CB ARG A 83 -6.554 -5.391 4.074 1.00 0.00 C ATOM 1279 CG ARG A 83 -7.731 -5.106 3.160 1.00 0.00 C ATOM 1280 CD ARG A 83 -8.997 -5.775 3.662 1.00 0.00 C ATOM 1281 NE ARG A 83 -8.854 -7.228 3.722 1.00 0.00 N ATOM 1282 CZ ARG A 83 -9.844 -8.086 3.483 1.00 0.00 C ATOM 1283 NH1 ARG A 83 -11.051 -7.638 3.153 1.00 0.00 N ATOM 1284 NH2 ARG A 83 -9.622 -9.391 3.573 1.00 0.00 N ATOM 0 H ARG A 83 -5.233 -6.824 2.385 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.223 -3.981 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.553 -6.450 4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.682 -4.835 5.003 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.889 -4.030 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.506 -5.459 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.242 -5.392 4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.829 -5.518 3.006 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.939 -7.609 3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.221 -6.635 3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.807 -8.297 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.695 -9.734 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.378 -10.051 3.391 1.00 0.00 H new ATOM 1298 N VAL A 84 -3.546 -6.424 4.522 1.00 0.00 N ATOM 1299 CA VAL A 84 -2.458 -6.748 5.433 1.00 0.00 C ATOM 1300 C VAL A 84 -1.330 -7.409 4.657 1.00 0.00 C ATOM 1301 O VAL A 84 -1.573 -8.314 3.860 1.00 0.00 O ATOM 1302 CB VAL A 84 -2.921 -7.701 6.561 1.00 0.00 C ATOM 1303 CG1 VAL A 84 -1.795 -7.956 7.552 1.00 0.00 C ATOM 1304 CG2 VAL A 84 -4.144 -7.145 7.276 1.00 0.00 C ATOM 0 H VAL A 84 -3.839 -7.200 3.928 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.116 -5.819 5.890 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.196 -8.651 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.145 -8.628 8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.950 -8.411 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.482 -7.012 7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.449 -7.834 8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.901 -6.177 7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.959 -7.026 6.563 1.00 0.00 H new ATOM 1314 N VAL A 85 -0.108 -6.952 4.869 1.00 0.00 N ATOM 1315 CA VAL A 85 1.040 -7.525 4.181 1.00 0.00 C ATOM 1316 C VAL A 85 2.089 -8.010 5.173 1.00 0.00 C ATOM 1317 O VAL A 85 2.484 -7.286 6.088 1.00 0.00 O ATOM 1318 CB VAL A 85 1.681 -6.522 3.192 1.00 0.00 C ATOM 1319 CG1 VAL A 85 0.774 -6.299 1.992 1.00 0.00 C ATOM 1320 CG2 VAL A 85 1.988 -5.197 3.876 1.00 0.00 C ATOM 0 H VAL A 85 0.116 -6.190 5.508 1.00 0.00 H new ATOM 0 HA VAL A 85 0.670 -8.377 3.610 1.00 0.00 H new ATOM 0 HB VAL A 85 2.621 -6.951 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.242 -5.591 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.611 -7.246 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.183 -5.900 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.438 -4.512 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.065 -4.764 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.682 -5.365 4.700 1.00 0.00 H new ATOM 1330 N THR A 86 2.514 -9.250 5.005 1.00 0.00 N ATOM 1331 CA THR A 86 3.574 -9.810 5.825 1.00 0.00 C ATOM 1332 C THR A 86 4.925 -9.384 5.264 1.00 0.00 C ATOM 1333 O THR A 86 5.376 -9.900 4.240 1.00 0.00 O ATOM 1334 CB THR A 86 3.489 -11.347 5.867 1.00 0.00 C ATOM 1335 OG1 THR A 86 2.130 -11.752 6.088 1.00 0.00 O ATOM 1336 CG2 THR A 86 4.373 -11.913 6.968 1.00 0.00 C ATOM 0 H THR A 86 2.139 -9.891 4.305 1.00 0.00 H new ATOM 0 HA THR A 86 3.460 -9.436 6.842 1.00 0.00 H new ATOM 0 HB THR A 86 3.839 -11.734 4.910 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.903 -11.634 7.034 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.294 -13.000 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.409 -11.626 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.051 -11.519 7.932 1.00 0.00 H new ATOM 1344 N LEU A 87 5.557 -8.426 5.921 1.00 0.00 N ATOM 1345 CA LEU A 87 6.786 -7.843 5.409 1.00 0.00 C ATOM 1346 C LEU A 87 8.009 -8.523 6.006 1.00 0.00 C ATOM 1347 O LEU A 87 7.997 -8.960 7.160 1.00 0.00 O ATOM 1348 CB LEU A 87 6.812 -6.336 5.678 1.00 0.00 C ATOM 1349 CG LEU A 87 5.694 -5.545 4.991 1.00 0.00 C ATOM 1350 CD1 LEU A 87 5.803 -4.065 5.314 1.00 0.00 C ATOM 1351 CD2 LEU A 87 5.730 -5.767 3.486 1.00 0.00 C ATOM 0 H LEU A 87 5.240 -8.036 6.809 1.00 0.00 H new ATOM 0 HA LEU A 87 6.815 -8.003 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.747 -6.171 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.773 -5.939 5.352 1.00 0.00 H new ATOM 0 HG LEU A 87 4.738 -5.907 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.999 -3.524 4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.724 -3.921 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.765 -3.687 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.929 -5.197 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.691 -5.436 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.596 -6.827 3.271 1.00 0.00 H new ATOM 1363 N GLN A 88 9.056 -8.613 5.200 1.00 0.00 N ATOM 1364 CA GLN A 88 10.292 -9.266 5.598 1.00 0.00 C ATOM 1365 C GLN A 88 11.312 -8.231 6.058 1.00 0.00 C ATOM 1366 O GLN A 88 11.697 -7.338 5.299 1.00 0.00 O ATOM 1367 CB GLN A 88 10.829 -10.102 4.425 1.00 0.00 C ATOM 1368 CG GLN A 88 12.183 -10.759 4.667 1.00 0.00 C ATOM 1369 CD GLN A 88 13.350 -9.897 4.216 1.00 0.00 C ATOM 1370 OE1 GLN A 88 13.229 -9.102 3.279 1.00 0.00 O ATOM 1371 NE2 GLN A 88 14.490 -10.058 4.867 1.00 0.00 N ATOM 0 H GLN A 88 9.072 -8.236 4.253 1.00 0.00 H new ATOM 0 HA GLN A 88 10.100 -9.934 6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.102 -10.879 4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.905 -9.461 3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.290 -10.978 5.729 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.218 -11.712 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.548 -10.726 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.311 -9.515 4.600 1.00 0.00 H new ATOM 1380 N LEU A 89 11.728 -8.348 7.309 1.00 0.00 N ATOM 1381 CA LEU A 89 12.699 -7.433 7.887 1.00 0.00 C ATOM 1382 C LEU A 89 13.897 -8.188 8.423 1.00 0.00 C ATOM 1383 O LEU A 89 13.767 -9.311 8.902 1.00 0.00 O ATOM 1384 CB LEU A 89 12.080 -6.630 9.033 1.00 0.00 C ATOM 1385 CG LEU A 89 10.970 -5.665 8.642 1.00 0.00 C ATOM 1386 CD1 LEU A 89 10.433 -4.954 9.874 1.00 0.00 C ATOM 1387 CD2 LEU A 89 11.479 -4.657 7.625 1.00 0.00 C ATOM 0 H LEU A 89 11.405 -9.074 7.948 1.00 0.00 H new ATOM 0 HA LEU A 89 13.015 -6.755 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.685 -7.330 9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.872 -6.064 9.524 1.00 0.00 H new ATOM 0 HG LEU A 89 10.158 -6.232 8.187 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.640 -4.267 9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.036 -5.689 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.238 -4.396 10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.674 -3.974 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.306 -4.092 8.055 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.823 -5.182 6.734 1.00 0.00 H new ATOM 1399 N GLU A 90 15.058 -7.572 8.331 1.00 0.00 N ATOM 1400 CA GLU A 90 16.248 -8.072 8.993 1.00 0.00 C ATOM 1401 C GLU A 90 17.020 -6.904 9.574 1.00 0.00 C ATOM 1402 O GLU A 90 16.667 -5.747 9.342 1.00 0.00 O ATOM 1403 CB GLU A 90 17.136 -8.874 8.038 1.00 0.00 C ATOM 1404 CG GLU A 90 16.522 -10.189 7.590 1.00 0.00 C ATOM 1405 CD GLU A 90 17.519 -11.088 6.895 1.00 0.00 C ATOM 1406 OE1 GLU A 90 17.938 -10.759 5.773 1.00 0.00 O ATOM 1407 OE2 GLU A 90 17.885 -12.135 7.471 1.00 0.00 O ATOM 0 H GLU A 90 15.204 -6.715 7.798 1.00 0.00 H new ATOM 0 HA GLU A 90 15.940 -8.749 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.351 -8.266 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.089 -9.076 8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.112 -10.708 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 90 15.689 -9.986 6.916 1.00 0.00 H new ATOM 1414 N HIS A 91 18.060 -7.198 10.331 1.00 0.00 N ATOM 1415 CA HIS A 91 18.882 -6.154 10.912 1.00 0.00 C ATOM 1416 C HIS A 91 19.682 -5.442 9.836 1.00 0.00 C ATOM 1417 O HIS A 91 20.380 -6.076 9.046 1.00 0.00 O ATOM 1418 CB HIS A 91 19.845 -6.722 11.961 1.00 0.00 C ATOM 1419 CG HIS A 91 19.224 -6.977 13.299 1.00 0.00 C ATOM 1420 ND1 HIS A 91 19.293 -8.191 13.939 1.00 0.00 N ATOM 1421 CD2 HIS A 91 18.559 -6.150 14.136 1.00 0.00 C ATOM 1422 CE1 HIS A 91 18.697 -8.102 15.112 1.00 0.00 C ATOM 1423 NE2 HIS A 91 18.241 -6.871 15.262 1.00 0.00 N ATOM 0 H HIS A 91 18.355 -8.148 10.557 1.00 0.00 H new ATOM 0 HA HIS A 91 18.211 -5.445 11.397 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.263 -7.656 11.585 1.00 0.00 H new ATOM 0 HB3 HIS A 91 20.676 -6.028 12.086 1.00 0.00 H new ATOM 0 HD2 HIS A 91 18.321 -5.112 13.953 1.00 0.00 H new ATOM 0 HE1 HIS A 91 18.598 -8.902 15.831 1.00 0.00 H new ATOM 0 HE2 HIS A 91 17.738 -6.516 16.075 1.00 0.00 H new ATOM 1432 N HIS A 92 19.586 -4.123 9.817 1.00 0.00 N ATOM 1433 CA HIS A 92 20.440 -3.299 8.968 1.00 0.00 C ATOM 1434 C HIS A 92 21.774 -3.097 9.688 1.00 0.00 C ATOM 1435 O HIS A 92 22.437 -2.067 9.572 1.00 0.00 O ATOM 1436 CB HIS A 92 19.755 -1.960 8.672 1.00 0.00 C ATOM 1437 CG HIS A 92 20.495 -1.091 7.700 1.00 0.00 C ATOM 1438 ND1 HIS A 92 20.740 0.244 7.927 1.00 0.00 N ATOM 1439 CD2 HIS A 92 21.051 -1.374 6.500 1.00 0.00 C ATOM 1440 CE1 HIS A 92 21.409 0.747 6.908 1.00 0.00 C ATOM 1441 NE2 HIS A 92 21.613 -0.215 6.029 1.00 0.00 N ATOM 0 H HIS A 92 18.922 -3.594 10.382 1.00 0.00 H new ATOM 0 HA HIS A 92 20.618 -3.790 8.011 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.757 -2.155 8.281 1.00 0.00 H new ATOM 0 HB3 HIS A 92 19.630 -1.414 9.607 1.00 0.00 H new ATOM 0 HD1 HIS A 92 20.449 0.764 8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 92 21.052 -2.334 6.005 1.00 0.00 H new ATOM 0 HE1 HIS A 92 21.734 1.772 6.810 1.00 0.00 H new ATOM 1450 N HIS A 93 22.149 -4.127 10.422 1.00 0.00 N ATOM 1451 CA HIS A 93 23.332 -4.131 11.248 1.00 0.00 C ATOM 1452 C HIS A 93 23.811 -5.572 11.342 1.00 0.00 C ATOM 1453 O HIS A 93 23.087 -6.433 11.837 1.00 0.00 O ATOM 1454 CB HIS A 93 22.984 -3.578 12.634 1.00 0.00 C ATOM 1455 CG HIS A 93 24.112 -2.880 13.318 1.00 0.00 C ATOM 1456 ND1 HIS A 93 24.393 -3.035 14.654 1.00 0.00 N ATOM 1457 CD2 HIS A 93 25.002 -1.975 12.854 1.00 0.00 C ATOM 1458 CE1 HIS A 93 25.402 -2.256 14.983 1.00 0.00 C ATOM 1459 NE2 HIS A 93 25.793 -1.601 13.909 1.00 0.00 N ATOM 0 H HIS A 93 21.625 -5.002 10.459 1.00 0.00 H new ATOM 0 HA HIS A 93 24.118 -3.505 10.825 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.149 -2.884 12.536 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.644 -4.399 13.265 1.00 0.00 H new ATOM 0 HD1 HIS A 93 23.897 -3.657 15.292 1.00 0.00 H new ATOM 0 HD2 HIS A 93 25.076 -1.613 11.839 1.00 0.00 H new ATOM 0 HE1 HIS A 93 25.836 -2.169 15.968 1.00 0.00 H new ATOM 1468 N HIS A 94 25.009 -5.842 10.844 1.00 0.00 N ATOM 1469 CA HIS A 94 25.485 -7.217 10.701 1.00 0.00 C ATOM 1470 C HIS A 94 25.728 -7.882 12.051 1.00 0.00 C ATOM 1471 O HIS A 94 25.807 -9.108 12.142 1.00 0.00 O ATOM 1472 CB HIS A 94 26.742 -7.270 9.829 1.00 0.00 C ATOM 1473 CG HIS A 94 26.452 -7.071 8.371 1.00 0.00 C ATOM 1474 ND1 HIS A 94 26.967 -6.030 7.629 1.00 0.00 N ATOM 1475 CD2 HIS A 94 25.682 -7.788 7.518 1.00 0.00 C ATOM 1476 CE1 HIS A 94 26.526 -6.115 6.388 1.00 0.00 C ATOM 1477 NE2 HIS A 94 25.746 -7.173 6.293 1.00 0.00 N ATOM 0 H HIS A 94 25.671 -5.131 10.532 1.00 0.00 H new ATOM 0 HA HIS A 94 24.697 -7.782 10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 94 27.442 -6.504 10.163 1.00 0.00 H new ATOM 0 HB3 HIS A 94 27.234 -8.233 9.968 1.00 0.00 H new ATOM 0 HD2 HIS A 94 25.121 -8.679 7.758 1.00 0.00 H new ATOM 0 HE1 HIS A 94 26.764 -5.433 5.586 1.00 0.00 H new ATOM 0 HE2 HIS A 94 25.268 -7.484 5.447 1.00 0.00 H new ATOM 1486 N HIS A 95 25.848 -7.077 13.095 1.00 0.00 N ATOM 1487 CA HIS A 95 25.905 -7.596 14.453 1.00 0.00 C ATOM 1488 C HIS A 95 25.043 -6.760 15.385 1.00 0.00 C ATOM 1489 O HIS A 95 25.405 -5.635 15.733 1.00 0.00 O ATOM 1490 CB HIS A 95 27.341 -7.656 14.976 1.00 0.00 C ATOM 1491 CG HIS A 95 27.996 -8.983 14.751 1.00 0.00 C ATOM 1492 ND1 HIS A 95 27.838 -10.053 15.607 1.00 0.00 N ATOM 1493 CD2 HIS A 95 28.808 -9.417 13.760 1.00 0.00 C ATOM 1494 CE1 HIS A 95 28.523 -11.083 15.152 1.00 0.00 C ATOM 1495 NE2 HIS A 95 29.121 -10.724 14.034 1.00 0.00 N ATOM 0 H HIS A 95 25.908 -6.061 13.028 1.00 0.00 H new ATOM 0 HA HIS A 95 25.515 -8.613 14.428 1.00 0.00 H new ATOM 0 HB2 HIS A 95 27.931 -6.880 14.489 1.00 0.00 H new ATOM 0 HB3 HIS A 95 27.342 -7.434 16.043 1.00 0.00 H new ATOM 0 HD2 HIS A 95 29.147 -8.842 12.911 1.00 0.00 H new ATOM 0 HE1 HIS A 95 28.584 -12.056 15.617 1.00 0.00 H new ATOM 0 HE2 HIS A 95 29.720 -11.322 13.464 1.00 0.00 H new ATOM 1504 N HIS A 96 23.894 -7.319 15.751 1.00 0.00 N ATOM 1505 CA HIS A 96 22.961 -6.693 16.688 1.00 0.00 C ATOM 1506 C HIS A 96 22.421 -5.379 16.129 1.00 0.00 C ATOM 1507 O HIS A 96 21.424 -5.417 15.383 1.00 0.00 O ATOM 1508 CB HIS A 96 23.633 -6.461 18.046 1.00 0.00 C ATOM 1509 CG HIS A 96 22.667 -6.188 19.156 1.00 0.00 C ATOM 1510 ND1 HIS A 96 22.483 -7.050 20.214 1.00 0.00 N ATOM 1511 CD2 HIS A 96 21.833 -5.145 19.376 1.00 0.00 C ATOM 1512 CE1 HIS A 96 21.576 -6.553 21.033 1.00 0.00 C ATOM 1513 NE2 HIS A 96 21.169 -5.397 20.548 1.00 0.00 N ATOM 1514 OXT HIS A 96 22.986 -4.311 16.452 1.00 0.00 O ATOM 0 H HIS A 96 23.580 -8.225 15.405 1.00 0.00 H new ATOM 0 HA HIS A 96 22.120 -7.373 16.828 1.00 0.00 H new ATOM 0 HB2 HIS A 96 24.228 -7.338 18.301 1.00 0.00 H new ATOM 0 HB3 HIS A 96 24.323 -5.621 17.962 1.00 0.00 H new ATOM 0 HD2 HIS A 96 21.713 -4.276 18.746 1.00 0.00 H new ATOM 0 HE1 HIS A 96 21.227 -7.014 21.945 1.00 0.00 H new ATOM 0 HE2 HIS A 96 20.472 -4.788 20.976 1.00 0.00 H new TER 1523 HIS A 96