USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 655 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 58 LYS NZ :NH3+ -171:sc= 0.804 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 79:sc= 1.94 USER MOD Set 2.1: A 53 GLN : amide:sc= 0.876 K(o=2,f=0.31) USER MOD Set 2.2: A 56 GLN : amide:sc= 1.11 K(o=2,f=0.31) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 179:sc= 1.72 (180deg=1.06) USER MOD Set 3.2: A 41 ASN : amide:sc= -0.0707 K(o=3.1,f=0.072!) USER MOD Set 3.3: A 67 THR OG1 : rot 180:sc= 0.549 USER MOD Set 3.4: A 68 HIS : no HE2:sc= 0.945 K(o=3.1,f=-1.2!) USER MOD Single : A 3 HIS : no HE2:sc= 0.81 K(o=0.81,f=-4!) USER MOD Single : A 12 GLN : amide:sc= 0.784 K(o=0.78,f=-1.6) USER MOD Single : A 13 TYR OH : rot -5:sc= 0.88 USER MOD Single : A 14 GLN : amide:sc= -0.0893 X(o=-0.089,f=-0.098) USER MOD Single : A 15 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 1.02 K(o=1,f=-4!) USER MOD Single : A 19 GLN : amide:sc= 0.365 X(o=0.37,f=-0.0042) USER MOD Single : A 23 ASN : amide:sc= 2.23 K(o=2.2,f=-0.0095) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.14) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.14) USER MOD Single : A 47 TYR OH : rot -60:sc= -0.309 USER MOD Single : A 48 CYS SG : rot 98:sc= -0.544 USER MOD Single : A 49 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.019) USER MOD Single : A 54 SER OG : rot -169:sc= 1.05 USER MOD Single : A 64 MET CE :methyl -172:sc= 0 (180deg=-0.0658) USER MOD Single : A 66 TYR OH : rot -170:sc= 1.33 USER MOD Single : A 71 ASN : amide:sc= -0.52 K(o=-0.52,f=-4.2) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.1) USER MOD Single : A 80 MET CE :methyl -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 1.73 (180deg=1.5) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.537 2.158 -3.895 1.00 0.00 N ATOM 14 CA GLU A 2 0.895 3.221 -4.648 1.00 0.00 C ATOM 15 C GLU A 2 0.872 2.801 -6.121 1.00 0.00 C ATOM 16 O GLU A 2 1.641 1.921 -6.519 1.00 0.00 O ATOM 17 CB GLU A 2 1.652 4.551 -4.439 1.00 0.00 C ATOM 18 CG GLU A 2 3.078 4.678 -4.997 1.00 0.00 C ATOM 19 CD GLU A 2 4.211 3.978 -4.218 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.025 3.521 -3.067 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.348 3.963 -4.748 1.00 0.00 O ATOM 0 HA GLU A 2 -0.127 3.383 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.052 5.347 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.697 4.742 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.077 4.287 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.320 5.739 -5.063 1.00 0.00 H new ATOM 28 N HIS A 3 0.012 3.421 -6.929 1.00 0.00 N ATOM 29 CA HIS A 3 0.050 3.268 -8.380 1.00 0.00 C ATOM 30 C HIS A 3 1.071 4.246 -8.969 1.00 0.00 C ATOM 31 O HIS A 3 1.383 5.271 -8.359 1.00 0.00 O ATOM 32 CB HIS A 3 -1.352 3.481 -8.966 1.00 0.00 C ATOM 33 CG HIS A 3 -2.223 2.256 -8.820 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.970 1.891 -7.722 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.394 1.274 -9.762 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.575 0.725 -7.997 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.253 0.300 -9.233 1.00 0.00 N ATOM 0 H HIS A 3 -0.727 4.040 -6.596 1.00 0.00 H new ATOM 0 HA HIS A 3 0.363 2.257 -8.641 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.828 4.325 -8.467 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.267 3.741 -10.021 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -3.050 2.416 -6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.944 1.254 -10.744 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.231 0.199 -7.319 1.00 0.00 H new ATOM 45 N TRP A 4 1.559 3.958 -10.177 1.00 0.00 N ATOM 46 CA TRP A 4 2.616 4.714 -10.838 1.00 0.00 C ATOM 47 C TRP A 4 2.166 4.947 -12.280 1.00 0.00 C ATOM 48 O TRP A 4 1.871 3.979 -12.986 1.00 0.00 O ATOM 49 CB TRP A 4 3.934 3.917 -10.782 1.00 0.00 C ATOM 50 CG TRP A 4 4.314 3.298 -9.470 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.898 3.941 -8.436 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.174 1.907 -9.039 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.119 3.059 -7.400 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.710 1.783 -7.722 1.00 0.00 C ATOM 55 CE3 TRP A 4 3.654 0.736 -9.631 1.00 0.00 C ATOM 56 CZ2 TRP A 4 4.738 0.560 -7.033 1.00 0.00 C ATOM 57 CZ3 TRP A 4 3.677 -0.498 -8.951 1.00 0.00 C ATOM 58 CH2 TRP A 4 4.218 -0.588 -7.655 1.00 0.00 C ATOM 0 H TRP A 4 1.220 3.173 -10.733 1.00 0.00 H new ATOM 0 HA TRP A 4 2.794 5.671 -10.347 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.878 3.122 -11.525 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.742 4.582 -11.087 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.154 4.990 -8.423 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.534 3.319 -6.505 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.231 0.787 -10.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.154 0.502 -6.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 3.277 -1.381 -9.428 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.234 -1.537 -7.140 1.00 0.00 H new ATOM 69 N ILE A 5 2.074 6.206 -12.715 1.00 0.00 N ATOM 70 CA ILE A 5 1.487 6.569 -14.000 1.00 0.00 C ATOM 71 C ILE A 5 2.529 7.362 -14.794 1.00 0.00 C ATOM 72 O ILE A 5 3.068 8.365 -14.319 1.00 0.00 O ATOM 73 CB ILE A 5 0.179 7.379 -13.818 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.768 6.905 -12.687 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.582 7.427 -15.152 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.409 5.523 -12.868 1.00 0.00 C ATOM 0 H ILE A 5 2.409 7.006 -12.178 1.00 0.00 H new ATOM 0 HA ILE A 5 1.215 5.666 -14.547 1.00 0.00 H new ATOM 0 HB ILE A 5 0.505 8.370 -13.500 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.208 6.902 -11.752 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.566 7.640 -12.579 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.503 7.997 -15.025 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.040 7.906 -15.909 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.824 6.413 -15.470 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.049 5.304 -12.013 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.006 5.516 -13.780 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.628 4.766 -12.940 1.00 0.00 H new ATOM 88 N ASP A 6 2.792 6.905 -16.016 1.00 0.00 N ATOM 89 CA ASP A 6 3.573 7.610 -17.024 1.00 0.00 C ATOM 90 C ASP A 6 2.607 8.566 -17.721 1.00 0.00 C ATOM 91 O ASP A 6 1.626 8.106 -18.309 1.00 0.00 O ATOM 92 CB ASP A 6 4.138 6.563 -17.993 1.00 0.00 C ATOM 93 CG ASP A 6 4.844 7.162 -19.207 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.164 7.668 -20.125 1.00 0.00 O ATOM 95 OD2 ASP A 6 6.087 7.044 -19.255 1.00 0.00 O ATOM 0 H ASP A 6 2.453 6.000 -16.341 1.00 0.00 H new ATOM 0 HA ASP A 6 4.409 8.174 -16.610 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.839 5.925 -17.455 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.325 5.924 -18.337 1.00 0.00 H new ATOM 100 N VAL A 7 2.838 9.879 -17.626 1.00 0.00 N ATOM 101 CA VAL A 7 1.850 10.887 -18.043 1.00 0.00 C ATOM 102 C VAL A 7 2.320 11.719 -19.238 1.00 0.00 C ATOM 103 O VAL A 7 2.288 12.947 -19.206 1.00 0.00 O ATOM 104 CB VAL A 7 1.277 11.696 -16.847 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.641 10.774 -15.796 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.319 12.582 -16.138 1.00 0.00 C ATOM 0 H VAL A 7 3.705 10.274 -17.262 1.00 0.00 H new ATOM 0 HA VAL A 7 0.985 10.348 -18.429 1.00 0.00 H new ATOM 0 HB VAL A 7 0.525 12.347 -17.293 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.251 11.374 -14.974 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.173 10.210 -16.252 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.393 10.083 -15.415 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.843 13.115 -15.315 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.124 11.958 -15.749 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.728 13.301 -16.848 1.00 0.00 H new ATOM 116 N ARG A 8 2.743 11.080 -20.332 1.00 0.00 N ATOM 117 CA ARG A 8 3.024 11.789 -21.586 1.00 0.00 C ATOM 118 C ARG A 8 2.563 10.955 -22.775 1.00 0.00 C ATOM 119 O ARG A 8 1.856 9.966 -22.597 1.00 0.00 O ATOM 120 CB ARG A 8 4.519 12.149 -21.672 1.00 0.00 C ATOM 121 CG ARG A 8 4.727 13.512 -22.359 1.00 0.00 C ATOM 122 CD ARG A 8 6.217 13.769 -22.566 1.00 0.00 C ATOM 123 NE ARG A 8 6.454 15.032 -23.291 1.00 0.00 N ATOM 124 CZ ARG A 8 7.386 15.255 -24.231 1.00 0.00 C ATOM 125 NH1 ARG A 8 8.205 14.283 -24.629 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.497 16.465 -24.768 1.00 0.00 N ATOM 0 H ARG A 8 2.899 10.073 -20.376 1.00 0.00 H new ATOM 0 HA ARG A 8 2.464 12.724 -21.607 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.947 12.175 -20.670 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.050 11.375 -22.226 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.210 13.528 -23.318 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.294 14.306 -21.750 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.719 13.804 -21.599 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.656 12.941 -23.123 1.00 0.00 H new ATOM 0 HE ARG A 8 5.847 15.817 -23.053 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.129 13.352 -24.218 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.908 14.469 -25.344 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.877 17.216 -24.465 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.203 16.643 -25.483 1.00 0.00 H new ATOM 140 N VAL A 9 2.930 11.362 -23.987 1.00 0.00 N ATOM 141 CA VAL A 9 2.691 10.577 -25.190 1.00 0.00 C ATOM 142 C VAL A 9 3.374 9.203 -25.058 1.00 0.00 C ATOM 143 O VAL A 9 4.400 9.099 -24.375 1.00 0.00 O ATOM 144 CB VAL A 9 3.189 11.352 -26.430 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.262 12.539 -26.730 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.634 11.868 -26.290 1.00 0.00 C ATOM 0 H VAL A 9 3.403 12.249 -24.161 1.00 0.00 H new ATOM 0 HA VAL A 9 1.622 10.406 -25.315 1.00 0.00 H new ATOM 0 HB VAL A 9 3.175 10.638 -27.253 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.628 13.074 -27.607 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.253 12.173 -26.923 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.246 13.214 -25.874 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.919 12.403 -27.196 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.699 12.542 -25.436 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.308 11.025 -26.139 1.00 0.00 H new ATOM 156 N PRO A 10 2.879 8.161 -25.752 1.00 0.00 N ATOM 157 CA PRO A 10 3.549 6.866 -25.835 1.00 0.00 C ATOM 158 C PRO A 10 5.014 6.946 -26.277 1.00 0.00 C ATOM 159 O PRO A 10 5.772 6.025 -25.993 1.00 0.00 O ATOM 160 CB PRO A 10 2.734 6.035 -26.832 1.00 0.00 C ATOM 161 CG PRO A 10 1.338 6.644 -26.750 1.00 0.00 C ATOM 162 CD PRO A 10 1.617 8.121 -26.480 1.00 0.00 C ATOM 0 HA PRO A 10 3.588 6.419 -24.842 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.143 6.104 -27.840 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.727 4.979 -26.562 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.782 6.502 -27.677 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.748 6.193 -25.952 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.685 8.683 -27.412 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.814 8.570 -25.895 1.00 0.00 H new ATOM 170 N GLU A 11 5.435 8.017 -26.958 1.00 0.00 N ATOM 171 CA GLU A 11 6.785 8.144 -27.501 1.00 0.00 C ATOM 172 C GLU A 11 7.877 8.070 -26.424 1.00 0.00 C ATOM 173 O GLU A 11 8.993 7.668 -26.759 1.00 0.00 O ATOM 174 CB GLU A 11 6.920 9.435 -28.327 1.00 0.00 C ATOM 175 CG GLU A 11 5.952 9.474 -29.519 1.00 0.00 C ATOM 176 CD GLU A 11 6.217 10.687 -30.428 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.076 10.600 -31.336 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.552 11.736 -30.265 1.00 0.00 O ATOM 0 H GLU A 11 4.841 8.824 -27.147 1.00 0.00 H new ATOM 0 HA GLU A 11 6.938 7.286 -28.155 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.734 10.295 -27.684 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.944 9.524 -28.691 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.051 8.556 -30.099 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.926 9.511 -29.153 1.00 0.00 H new ATOM 185 N GLN A 12 7.599 8.413 -25.153 1.00 0.00 N ATOM 186 CA GLN A 12 8.558 8.122 -24.083 1.00 0.00 C ATOM 187 C GLN A 12 8.460 6.640 -23.699 1.00 0.00 C ATOM 188 O GLN A 12 9.466 5.934 -23.719 1.00 0.00 O ATOM 189 CB GLN A 12 8.457 9.092 -22.882 1.00 0.00 C ATOM 190 CG GLN A 12 7.177 9.091 -22.025 1.00 0.00 C ATOM 191 CD GLN A 12 7.316 10.022 -20.810 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.572 11.216 -20.951 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.175 9.516 -19.594 1.00 0.00 N ATOM 0 H GLN A 12 6.743 8.878 -24.852 1.00 0.00 H new ATOM 0 HA GLN A 12 9.563 8.302 -24.464 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.297 8.883 -22.219 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.596 10.103 -23.264 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.330 9.408 -22.633 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.965 8.077 -21.686 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.963 8.525 -19.475 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.279 10.117 -18.776 1.00 0.00 H new ATOM 202 N TYR A 13 7.245 6.142 -23.448 1.00 0.00 N ATOM 203 CA TYR A 13 6.991 4.790 -22.956 1.00 0.00 C ATOM 204 C TYR A 13 7.595 3.727 -23.882 1.00 0.00 C ATOM 205 O TYR A 13 8.206 2.764 -23.420 1.00 0.00 O ATOM 206 CB TYR A 13 5.470 4.616 -22.795 1.00 0.00 C ATOM 207 CG TYR A 13 5.022 3.455 -21.925 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.854 3.649 -20.541 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.699 2.209 -22.496 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.362 2.614 -19.727 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.212 1.164 -21.686 1.00 0.00 C ATOM 212 CZ TYR A 13 4.046 1.359 -20.294 1.00 0.00 C ATOM 213 OH TYR A 13 3.571 0.343 -19.518 1.00 0.00 O ATOM 0 H TYR A 13 6.392 6.684 -23.586 1.00 0.00 H new ATOM 0 HA TYR A 13 7.477 4.652 -21.990 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.061 5.536 -22.378 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.031 4.493 -23.785 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.106 4.602 -20.100 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.825 2.054 -23.557 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.226 2.778 -18.668 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.964 0.211 -22.129 1.00 0.00 H new ATOM 0 HH TYR A 13 3.585 0.616 -18.577 1.00 0.00 H new ATOM 223 N GLN A 14 7.487 3.925 -25.198 1.00 0.00 N ATOM 224 CA GLN A 14 7.982 3.015 -26.225 1.00 0.00 C ATOM 225 C GLN A 14 9.518 2.913 -26.270 1.00 0.00 C ATOM 226 O GLN A 14 10.027 2.083 -27.025 1.00 0.00 O ATOM 227 CB GLN A 14 7.414 3.439 -27.594 1.00 0.00 C ATOM 228 CG GLN A 14 5.900 3.190 -27.734 1.00 0.00 C ATOM 229 CD GLN A 14 5.522 1.707 -27.670 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.105 0.863 -28.346 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.544 1.348 -26.852 1.00 0.00 N ATOM 0 H GLN A 14 7.036 4.753 -25.588 1.00 0.00 H new ATOM 0 HA GLN A 14 7.634 2.014 -25.969 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.616 4.499 -27.750 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.938 2.895 -28.380 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.376 3.726 -26.943 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.557 3.605 -28.682 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.063 2.052 -26.293 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.272 0.367 -26.781 1.00 0.00 H new ATOM 240 N GLN A 15 10.264 3.696 -25.478 1.00 0.00 N ATOM 241 CA GLN A 15 11.722 3.604 -25.398 1.00 0.00 C ATOM 242 C GLN A 15 12.205 3.425 -23.956 1.00 0.00 C ATOM 243 O GLN A 15 13.159 2.676 -23.752 1.00 0.00 O ATOM 244 CB GLN A 15 12.399 4.774 -26.137 1.00 0.00 C ATOM 245 CG GLN A 15 11.999 6.170 -25.638 1.00 0.00 C ATOM 246 CD GLN A 15 12.622 7.287 -26.477 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.840 7.430 -26.558 1.00 0.00 O ATOM 248 NE2 GLN A 15 11.803 8.104 -27.119 1.00 0.00 N ATOM 0 H GLN A 15 9.867 4.414 -24.873 1.00 0.00 H new ATOM 0 HA GLN A 15 12.032 2.699 -25.921 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.480 4.667 -26.045 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.161 4.701 -27.198 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.913 6.264 -25.661 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.307 6.284 -24.599 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.794 7.976 -27.045 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.181 8.861 -27.688 1.00 0.00 H new ATOM 257 N GLU A 16 11.548 4.021 -22.955 1.00 0.00 N ATOM 258 CA GLU A 16 11.763 3.701 -21.546 1.00 0.00 C ATOM 259 C GLU A 16 10.597 4.251 -20.720 1.00 0.00 C ATOM 260 O GLU A 16 10.071 5.327 -21.004 1.00 0.00 O ATOM 261 CB GLU A 16 13.118 4.219 -21.012 1.00 0.00 C ATOM 262 CG GLU A 16 13.242 5.751 -20.932 1.00 0.00 C ATOM 263 CD GLU A 16 14.671 6.238 -20.629 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.438 5.553 -19.914 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.027 7.346 -21.090 1.00 0.00 O ATOM 0 H GLU A 16 10.846 4.746 -23.105 1.00 0.00 H new ATOM 0 HA GLU A 16 11.801 2.616 -21.451 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.282 3.804 -20.018 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.914 3.838 -21.652 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.912 6.184 -21.876 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.569 6.122 -20.159 1.00 0.00 H new ATOM 272 N HIS A 17 10.224 3.543 -19.660 1.00 0.00 N ATOM 273 CA HIS A 17 9.295 4.001 -18.644 1.00 0.00 C ATOM 274 C HIS A 17 9.724 3.401 -17.311 1.00 0.00 C ATOM 275 O HIS A 17 10.355 2.342 -17.289 1.00 0.00 O ATOM 276 CB HIS A 17 7.859 3.582 -19.000 1.00 0.00 C ATOM 277 CG HIS A 17 7.620 2.089 -19.106 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.364 1.225 -18.067 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.544 1.350 -20.256 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.142 0.003 -18.573 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.245 0.023 -19.913 1.00 0.00 N ATOM 0 H HIS A 17 10.575 2.602 -19.482 1.00 0.00 H new ATOM 0 HA HIS A 17 9.308 5.089 -18.581 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.184 3.987 -18.246 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.590 4.043 -19.950 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.346 1.472 -17.078 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.690 1.725 -21.258 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.913 -0.874 -17.986 1.00 0.00 H new ATOM 289 N VAL A 18 9.361 4.065 -16.211 1.00 0.00 N ATOM 290 CA VAL A 18 9.466 3.542 -14.849 1.00 0.00 C ATOM 291 C VAL A 18 8.869 2.129 -14.862 1.00 0.00 C ATOM 292 O VAL A 18 7.785 1.937 -15.410 1.00 0.00 O ATOM 293 CB VAL A 18 8.751 4.552 -13.917 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.153 3.936 -12.642 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.733 5.653 -13.495 1.00 0.00 C ATOM 0 H VAL A 18 8.975 5.008 -16.246 1.00 0.00 H new ATOM 0 HA VAL A 18 10.485 3.444 -14.476 1.00 0.00 H new ATOM 0 HB VAL A 18 7.920 4.943 -14.504 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.673 4.716 -12.051 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.415 3.181 -12.914 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.946 3.473 -12.055 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.226 6.361 -12.840 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.574 5.207 -12.965 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.097 6.175 -14.380 1.00 0.00 H new ATOM 305 N GLN A 19 9.564 1.135 -14.302 1.00 0.00 N ATOM 306 CA GLN A 19 9.227 -0.276 -14.499 1.00 0.00 C ATOM 307 C GLN A 19 7.761 -0.629 -14.209 1.00 0.00 C ATOM 308 O GLN A 19 7.191 -1.460 -14.917 1.00 0.00 O ATOM 309 CB GLN A 19 10.229 -1.146 -13.715 1.00 0.00 C ATOM 310 CG GLN A 19 10.142 -2.658 -13.998 1.00 0.00 C ATOM 311 CD GLN A 19 9.307 -3.425 -12.966 1.00 0.00 C ATOM 312 OE1 GLN A 19 9.832 -3.952 -11.989 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.999 -3.510 -13.147 1.00 0.00 N ATOM 0 H GLN A 19 10.374 1.286 -13.701 1.00 0.00 H new ATOM 0 HA GLN A 19 9.322 -0.493 -15.563 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.239 -0.806 -13.945 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.073 -0.982 -12.649 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.712 -2.810 -14.988 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.149 -3.074 -14.021 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.567 -3.071 -13.960 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.423 -4.015 -12.474 1.00 0.00 H new ATOM 322 N GLY A 20 7.142 -0.009 -13.204 1.00 0.00 N ATOM 323 CA GLY A 20 5.764 -0.301 -12.802 1.00 0.00 C ATOM 324 C GLY A 20 4.715 0.542 -13.540 1.00 0.00 C ATOM 325 O GLY A 20 3.529 0.446 -13.225 1.00 0.00 O ATOM 0 H GLY A 20 7.586 0.716 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.559 -1.357 -12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.664 -0.132 -11.730 1.00 0.00 H new ATOM 329 N ALA A 21 5.136 1.398 -14.475 1.00 0.00 N ATOM 330 CA ALA A 21 4.286 2.408 -15.091 1.00 0.00 C ATOM 331 C ALA A 21 3.261 1.835 -16.059 1.00 0.00 C ATOM 332 O ALA A 21 3.470 0.806 -16.706 1.00 0.00 O ATOM 333 CB ALA A 21 5.148 3.418 -15.859 1.00 0.00 C ATOM 0 H ALA A 21 6.093 1.405 -14.828 1.00 0.00 H new ATOM 0 HA ALA A 21 3.744 2.880 -14.272 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.506 4.170 -16.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.841 3.902 -15.171 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.711 2.900 -16.636 1.00 0.00 H new ATOM 339 N ILE A 22 2.216 2.635 -16.254 1.00 0.00 N ATOM 340 CA ILE A 22 1.198 2.487 -17.275 1.00 0.00 C ATOM 341 C ILE A 22 1.057 3.865 -17.930 1.00 0.00 C ATOM 342 O ILE A 22 1.069 4.882 -17.231 1.00 0.00 O ATOM 343 CB ILE A 22 -0.110 1.943 -16.656 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.664 2.799 -15.490 1.00 0.00 C ATOM 345 CG2 ILE A 22 0.093 0.475 -16.231 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.010 2.311 -14.942 1.00 0.00 C ATOM 0 H ILE A 22 2.053 3.451 -15.665 1.00 0.00 H new ATOM 0 HA ILE A 22 1.464 1.755 -18.038 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.875 2.002 -17.431 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.065 2.806 -14.680 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.774 3.829 -15.829 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.829 0.092 -15.795 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.358 -0.123 -17.103 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.894 0.417 -15.494 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.330 2.963 -14.129 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.755 2.331 -15.737 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.903 1.292 -14.570 1.00 0.00 H new ATOM 358 N ASN A 23 1.012 3.909 -19.264 1.00 0.00 N ATOM 359 CA ASN A 23 0.970 5.163 -20.014 1.00 0.00 C ATOM 360 C ASN A 23 -0.455 5.704 -20.045 1.00 0.00 C ATOM 361 O ASN A 23 -1.354 5.034 -20.557 1.00 0.00 O ATOM 362 CB ASN A 23 1.484 4.966 -21.446 1.00 0.00 C ATOM 363 CG ASN A 23 1.314 6.253 -22.244 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.456 6.346 -23.115 1.00 0.00 O ATOM 365 ND2 ASN A 23 2.091 7.278 -21.948 1.00 0.00 N ATOM 0 H ASN A 23 1.004 3.076 -19.852 1.00 0.00 H new ATOM 0 HA ASN A 23 1.619 5.881 -19.513 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.535 4.677 -21.427 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.939 4.155 -21.928 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.982 8.161 -22.446 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.801 7.187 -21.221 1.00 0.00 H new ATOM 372 N ILE A 24 -0.650 6.916 -19.526 1.00 0.00 N ATOM 373 CA ILE A 24 -1.916 7.639 -19.540 1.00 0.00 C ATOM 374 C ILE A 24 -1.560 9.129 -19.736 1.00 0.00 C ATOM 375 O ILE A 24 -1.224 9.789 -18.754 1.00 0.00 O ATOM 376 CB ILE A 24 -2.730 7.390 -18.244 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.854 5.900 -17.840 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.126 7.995 -18.449 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.694 5.648 -16.580 1.00 0.00 C ATOM 0 H ILE A 24 0.098 7.438 -19.069 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.561 7.293 -20.348 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.191 7.862 -17.422 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.293 5.347 -18.670 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.854 5.496 -17.681 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.726 7.837 -17.553 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.035 9.064 -18.640 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.610 7.514 -19.299 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.726 4.578 -16.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.246 6.169 -15.734 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.707 6.018 -16.738 1.00 0.00 H new ATOM 391 N PRO A 25 -1.560 9.658 -20.977 1.00 0.00 N ATOM 392 CA PRO A 25 -1.059 10.996 -21.298 1.00 0.00 C ATOM 393 C PRO A 25 -1.615 12.121 -20.417 1.00 0.00 C ATOM 394 O PRO A 25 -2.764 12.065 -19.978 1.00 0.00 O ATOM 395 CB PRO A 25 -1.411 11.229 -22.771 1.00 0.00 C ATOM 396 CG PRO A 25 -1.474 9.822 -23.361 1.00 0.00 C ATOM 397 CD PRO A 25 -1.969 8.970 -22.194 1.00 0.00 C ATOM 0 HA PRO A 25 0.013 11.028 -21.106 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.363 11.749 -22.877 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.657 11.838 -23.270 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.154 9.773 -24.211 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.498 9.491 -23.715 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.052 8.855 -22.229 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.541 7.968 -22.236 1.00 0.00 H new ATOM 405 N LEU A 26 -0.825 13.190 -20.234 1.00 0.00 N ATOM 406 CA LEU A 26 -1.148 14.338 -19.378 1.00 0.00 C ATOM 407 C LEU A 26 -2.555 14.875 -19.636 1.00 0.00 C ATOM 408 O LEU A 26 -3.339 15.033 -18.703 1.00 0.00 O ATOM 409 CB LEU A 26 -0.081 15.439 -19.590 1.00 0.00 C ATOM 410 CG LEU A 26 -0.156 16.701 -18.702 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.216 17.728 -19.118 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.325 16.342 -17.227 1.00 0.00 C ATOM 0 H LEU A 26 0.082 13.281 -20.692 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.135 14.010 -18.339 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.900 14.986 -19.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.133 15.759 -20.631 1.00 0.00 H new ATOM 0 HG LEU A 26 0.806 17.189 -18.855 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.189 18.576 -18.434 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.010 18.073 -20.131 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.203 17.266 -19.085 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.374 17.255 -16.634 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.245 15.773 -17.094 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.523 15.741 -16.899 1.00 0.00 H new ATOM 424 N LYS A 27 -2.895 15.121 -20.905 1.00 0.00 N ATOM 425 CA LYS A 27 -4.175 15.724 -21.288 1.00 0.00 C ATOM 426 C LYS A 27 -5.359 14.766 -21.106 1.00 0.00 C ATOM 427 O LYS A 27 -6.502 15.173 -21.305 1.00 0.00 O ATOM 428 CB LYS A 27 -4.113 16.205 -22.751 1.00 0.00 C ATOM 429 CG LYS A 27 -3.003 17.239 -22.993 1.00 0.00 C ATOM 430 CD LYS A 27 -3.057 17.784 -24.426 1.00 0.00 C ATOM 431 CE LYS A 27 -1.938 18.813 -24.642 1.00 0.00 C ATOM 432 NZ LYS A 27 -1.949 19.374 -26.016 1.00 0.00 N ATOM 0 H LYS A 27 -2.289 14.907 -21.697 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.341 16.571 -20.622 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.952 15.347 -23.404 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.074 16.640 -23.026 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.107 18.061 -22.284 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.030 16.782 -22.811 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.952 16.966 -25.139 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.027 18.246 -24.611 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.047 19.622 -23.920 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.973 18.343 -24.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.177 20.064 -26.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.819 18.606 -26.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.859 19.846 -26.191 1.00 0.00 H new ATOM 446 N GLU A 28 -5.108 13.505 -20.750 1.00 0.00 N ATOM 447 CA GLU A 28 -6.084 12.425 -20.788 1.00 0.00 C ATOM 448 C GLU A 28 -6.236 11.740 -19.422 1.00 0.00 C ATOM 449 O GLU A 28 -7.264 11.100 -19.177 1.00 0.00 O ATOM 450 CB GLU A 28 -5.634 11.433 -21.880 1.00 0.00 C ATOM 451 CG GLU A 28 -5.504 12.049 -23.289 1.00 0.00 C ATOM 452 CD GLU A 28 -6.765 12.769 -23.818 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.905 12.384 -23.470 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.617 13.710 -24.631 1.00 0.00 O ATOM 0 H GLU A 28 -4.192 13.203 -20.418 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.071 12.822 -21.025 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.672 11.008 -21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.347 10.610 -21.921 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.677 12.759 -23.281 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.238 11.258 -23.990 1.00 0.00 H new ATOM 461 N VAL A 29 -5.254 11.906 -18.523 1.00 0.00 N ATOM 462 CA VAL A 29 -5.188 11.281 -17.203 1.00 0.00 C ATOM 463 C VAL A 29 -6.437 11.566 -16.356 1.00 0.00 C ATOM 464 O VAL A 29 -6.862 10.702 -15.587 1.00 0.00 O ATOM 465 CB VAL A 29 -3.844 11.671 -16.518 1.00 0.00 C ATOM 466 CG1 VAL A 29 -3.855 13.061 -15.865 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.430 10.625 -15.475 1.00 0.00 C ATOM 0 H VAL A 29 -4.451 12.507 -18.709 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.193 10.197 -17.314 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.115 11.704 -17.327 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.884 13.257 -15.410 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.061 13.817 -16.623 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.628 13.096 -15.098 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.489 10.924 -15.014 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.202 10.550 -14.709 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.305 9.657 -15.960 1.00 0.00 H new ATOM 477 N LYS A 30 -7.055 12.743 -16.540 1.00 0.00 N ATOM 478 CA LYS A 30 -8.215 13.199 -15.773 1.00 0.00 C ATOM 479 C LYS A 30 -9.340 12.167 -15.779 1.00 0.00 C ATOM 480 O LYS A 30 -9.972 11.954 -14.748 1.00 0.00 O ATOM 481 CB LYS A 30 -8.696 14.559 -16.303 1.00 0.00 C ATOM 482 CG LYS A 30 -9.613 15.211 -15.257 1.00 0.00 C ATOM 483 CD LYS A 30 -10.094 16.615 -15.621 1.00 0.00 C ATOM 484 CE LYS A 30 -8.956 17.633 -15.797 1.00 0.00 C ATOM 485 NZ LYS A 30 -9.456 19.027 -15.848 1.00 0.00 N ATOM 0 H LYS A 30 -6.752 13.417 -17.243 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.909 13.321 -14.734 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.843 15.205 -16.510 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.232 14.428 -17.243 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.482 14.571 -15.106 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.082 15.258 -14.306 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.670 16.564 -16.545 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.770 16.970 -14.844 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.250 17.532 -14.973 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.410 17.411 -16.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.663 19.674 -16.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.161 19.115 -16.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.895 19.272 -14.937 1.00 0.00 H new ATOM 499 N GLU A 31 -9.590 11.522 -16.921 1.00 0.00 N ATOM 500 CA GLU A 31 -10.696 10.578 -17.037 1.00 0.00 C ATOM 501 C GLU A 31 -10.236 9.165 -16.674 1.00 0.00 C ATOM 502 O GLU A 31 -10.908 8.474 -15.907 1.00 0.00 O ATOM 503 CB GLU A 31 -11.278 10.622 -18.459 1.00 0.00 C ATOM 504 CG GLU A 31 -11.986 11.955 -18.747 1.00 0.00 C ATOM 505 CD GLU A 31 -12.641 11.964 -20.140 1.00 0.00 C ATOM 506 OE1 GLU A 31 -13.753 11.410 -20.300 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.067 12.551 -21.084 1.00 0.00 O ATOM 0 H GLU A 31 -9.042 11.638 -17.773 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.480 10.864 -16.336 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.478 10.472 -19.184 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.983 9.801 -18.588 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.746 12.135 -17.987 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.267 12.771 -18.678 1.00 0.00 H new ATOM 514 N ARG A 32 -9.083 8.721 -17.192 1.00 0.00 N ATOM 515 CA ARG A 32 -8.690 7.310 -17.096 1.00 0.00 C ATOM 516 C ARG A 32 -8.261 6.927 -15.687 1.00 0.00 C ATOM 517 O ARG A 32 -8.301 5.741 -15.358 1.00 0.00 O ATOM 518 CB ARG A 32 -7.581 6.948 -18.097 1.00 0.00 C ATOM 519 CG ARG A 32 -8.029 6.879 -19.566 1.00 0.00 C ATOM 520 CD ARG A 32 -8.130 8.268 -20.202 1.00 0.00 C ATOM 521 NE ARG A 32 -8.593 8.219 -21.596 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.894 9.304 -22.318 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.863 10.509 -21.757 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.207 9.191 -23.603 1.00 0.00 N ATOM 0 H ARG A 32 -8.411 9.314 -17.678 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.581 6.736 -17.349 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.781 7.683 -18.011 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.159 5.983 -17.816 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.323 6.272 -20.132 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.997 6.382 -19.627 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.814 8.882 -19.617 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.155 8.753 -20.164 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.690 7.305 -22.038 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.609 10.608 -20.774 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.093 11.335 -22.310 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.219 8.272 -24.046 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.435 10.023 -24.147 1.00 0.00 H new ATOM 538 N ILE A 33 -7.884 7.884 -14.833 1.00 0.00 N ATOM 539 CA ILE A 33 -7.572 7.576 -13.442 1.00 0.00 C ATOM 540 C ILE A 33 -8.754 6.859 -12.767 1.00 0.00 C ATOM 541 O ILE A 33 -8.526 5.949 -11.974 1.00 0.00 O ATOM 542 CB ILE A 33 -7.106 8.845 -12.696 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.397 8.478 -11.374 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.266 9.830 -12.464 1.00 0.00 C ATOM 545 CD1 ILE A 33 -4.988 7.908 -11.583 1.00 0.00 C ATOM 0 H ILE A 33 -7.789 8.869 -15.082 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.735 6.879 -13.403 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.382 9.355 -13.332 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.333 9.366 -10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.001 7.748 -10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.897 10.709 -11.936 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.684 10.132 -13.424 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.040 9.347 -11.867 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.544 7.671 -10.616 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.048 7.003 -12.187 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.369 8.645 -12.095 1.00 0.00 H new ATOM 557 N ALA A 34 -10.002 7.184 -13.140 1.00 0.00 N ATOM 558 CA ALA A 34 -11.201 6.600 -12.546 1.00 0.00 C ATOM 559 C ALA A 34 -11.315 5.084 -12.775 1.00 0.00 C ATOM 560 O ALA A 34 -12.083 4.428 -12.071 1.00 0.00 O ATOM 561 CB ALA A 34 -12.442 7.317 -13.089 1.00 0.00 C ATOM 0 H ALA A 34 -10.202 7.867 -13.870 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.127 6.740 -11.468 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.337 6.881 -12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.390 8.376 -12.836 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.482 7.205 -14.172 1.00 0.00 H new ATOM 567 N THR A 35 -10.569 4.522 -13.729 1.00 0.00 N ATOM 568 CA THR A 35 -10.572 3.103 -14.056 1.00 0.00 C ATOM 569 C THR A 35 -9.196 2.475 -13.792 1.00 0.00 C ATOM 570 O THR A 35 -9.126 1.299 -13.428 1.00 0.00 O ATOM 571 CB THR A 35 -11.041 2.938 -15.517 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.531 3.953 -16.370 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.570 3.014 -15.608 1.00 0.00 C ATOM 0 H THR A 35 -9.928 5.062 -14.310 1.00 0.00 H new ATOM 0 HA THR A 35 -11.268 2.566 -13.412 1.00 0.00 H new ATOM 0 HB THR A 35 -10.668 1.965 -15.837 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.854 3.805 -17.284 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.879 2.895 -16.647 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.010 2.220 -15.005 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.909 3.981 -15.237 1.00 0.00 H new ATOM 581 N ALA A 36 -8.105 3.245 -13.906 1.00 0.00 N ATOM 582 CA ALA A 36 -6.764 2.790 -13.553 1.00 0.00 C ATOM 583 C ALA A 36 -6.607 2.646 -12.033 1.00 0.00 C ATOM 584 O ALA A 36 -5.941 1.719 -11.572 1.00 0.00 O ATOM 585 CB ALA A 36 -5.732 3.782 -14.099 1.00 0.00 C ATOM 0 H ALA A 36 -8.134 4.205 -14.248 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.602 1.808 -13.998 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.729 3.445 -13.837 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.823 3.842 -15.184 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.909 4.766 -13.666 1.00 0.00 H new ATOM 591 N VAL A 37 -7.220 3.549 -11.261 1.00 0.00 N ATOM 592 CA VAL A 37 -7.123 3.639 -9.809 1.00 0.00 C ATOM 593 C VAL A 37 -8.533 3.992 -9.297 1.00 0.00 C ATOM 594 O VAL A 37 -8.802 5.150 -8.967 1.00 0.00 O ATOM 595 CB VAL A 37 -6.038 4.666 -9.387 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.764 4.551 -7.880 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.703 4.491 -10.130 1.00 0.00 C ATOM 0 H VAL A 37 -7.825 4.269 -11.655 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.802 2.697 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.439 5.646 -9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.002 5.275 -7.593 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.682 4.751 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.414 3.545 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.993 5.242 -9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.304 3.496 -9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.865 4.610 -11.201 1.00 0.00 H new ATOM 607 N PRO A 38 -9.481 3.036 -9.296 1.00 0.00 N ATOM 608 CA PRO A 38 -10.875 3.327 -8.978 1.00 0.00 C ATOM 609 C PRO A 38 -11.068 3.738 -7.511 1.00 0.00 C ATOM 610 O PRO A 38 -11.976 4.516 -7.212 1.00 0.00 O ATOM 611 CB PRO A 38 -11.652 2.054 -9.333 1.00 0.00 C ATOM 612 CG PRO A 38 -10.609 0.943 -9.216 1.00 0.00 C ATOM 613 CD PRO A 38 -9.314 1.632 -9.644 1.00 0.00 C ATOM 0 HA PRO A 38 -11.238 4.183 -9.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.487 1.892 -8.651 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.068 2.107 -10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.543 0.558 -8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.847 0.098 -9.861 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.454 1.201 -9.132 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.141 1.512 -10.713 1.00 0.00 H new ATOM 621 N ASP A 39 -10.225 3.248 -6.594 1.00 0.00 N ATOM 622 CA ASP A 39 -10.197 3.721 -5.212 1.00 0.00 C ATOM 623 C ASP A 39 -9.418 5.032 -5.155 1.00 0.00 C ATOM 624 O ASP A 39 -8.190 5.037 -5.063 1.00 0.00 O ATOM 625 CB ASP A 39 -9.587 2.682 -4.261 1.00 0.00 C ATOM 626 CG ASP A 39 -9.451 3.229 -2.824 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.064 4.270 -2.492 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.748 2.588 -2.010 1.00 0.00 O ATOM 0 H ASP A 39 -9.546 2.514 -6.793 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.222 3.884 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.210 1.788 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.606 2.383 -4.630 1.00 0.00 H new ATOM 633 N LYS A 40 -10.135 6.156 -5.214 1.00 0.00 N ATOM 634 CA LYS A 40 -9.536 7.487 -5.182 1.00 0.00 C ATOM 635 C LYS A 40 -8.776 7.814 -3.894 1.00 0.00 C ATOM 636 O LYS A 40 -8.102 8.845 -3.851 1.00 0.00 O ATOM 637 CB LYS A 40 -10.584 8.553 -5.554 1.00 0.00 C ATOM 638 CG LYS A 40 -11.823 8.628 -4.635 1.00 0.00 C ATOM 639 CD LYS A 40 -11.974 9.959 -3.879 1.00 0.00 C ATOM 640 CE LYS A 40 -10.942 10.079 -2.751 1.00 0.00 C ATOM 641 NZ LYS A 40 -11.033 11.363 -2.022 1.00 0.00 N ATOM 0 H LYS A 40 -11.152 6.166 -5.286 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.755 7.495 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.097 9.528 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.922 8.363 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.717 8.462 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.772 7.816 -3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.855 10.790 -4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.979 10.032 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.082 9.257 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.941 9.974 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.324 11.381 -1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.856 12.149 -2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.983 11.463 -1.612 1.00 0.00 H new ATOM 655 N ASN A 41 -8.880 7.003 -2.836 1.00 0.00 N ATOM 656 CA ASN A 41 -8.073 7.206 -1.637 1.00 0.00 C ATOM 657 C ASN A 41 -6.669 6.615 -1.790 1.00 0.00 C ATOM 658 O ASN A 41 -5.771 6.998 -1.039 1.00 0.00 O ATOM 659 CB ASN A 41 -8.768 6.599 -0.410 1.00 0.00 C ATOM 660 CG ASN A 41 -8.031 6.960 0.877 1.00 0.00 C ATOM 661 OD1 ASN A 41 -7.850 8.133 1.189 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.602 5.977 1.653 1.00 0.00 N ATOM 0 H ASN A 41 -9.513 6.205 -2.789 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.969 8.282 -1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.796 6.958 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.814 5.515 -0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.114 6.190 2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.760 5.007 1.381 1.00 0.00 H new ATOM 669 N ASP A 42 -6.459 5.683 -2.726 1.00 0.00 N ATOM 670 CA ASP A 42 -5.154 5.053 -2.923 1.00 0.00 C ATOM 671 C ASP A 42 -4.140 6.068 -3.456 1.00 0.00 C ATOM 672 O ASP A 42 -4.494 6.977 -4.212 1.00 0.00 O ATOM 673 CB ASP A 42 -5.247 3.861 -3.882 1.00 0.00 C ATOM 674 CG ASP A 42 -3.887 3.158 -4.033 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.216 2.913 -3.004 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.509 2.823 -5.176 1.00 0.00 O ATOM 0 H ASP A 42 -7.183 5.348 -3.362 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.818 4.687 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.987 3.151 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.593 4.203 -4.858 1.00 0.00 H new ATOM 681 N THR A 43 -2.882 5.913 -3.053 1.00 0.00 N ATOM 682 CA THR A 43 -1.792 6.796 -3.427 1.00 0.00 C ATOM 683 C THR A 43 -1.443 6.608 -4.909 1.00 0.00 C ATOM 684 O THR A 43 -1.481 5.488 -5.429 1.00 0.00 O ATOM 685 CB THR A 43 -0.601 6.532 -2.492 1.00 0.00 C ATOM 686 OG1 THR A 43 -1.042 6.554 -1.144 1.00 0.00 O ATOM 687 CG2 THR A 43 0.518 7.571 -2.649 1.00 0.00 C ATOM 0 H THR A 43 -2.590 5.150 -2.443 1.00 0.00 H new ATOM 0 HA THR A 43 -2.083 7.840 -3.311 1.00 0.00 H new ATOM 0 HB THR A 43 -0.198 5.556 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.282 6.384 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.333 7.335 -1.964 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.889 7.554 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.128 8.563 -2.420 1.00 0.00 H new ATOM 695 N VAL A 44 -1.038 7.689 -5.579 1.00 0.00 N ATOM 696 CA VAL A 44 -0.622 7.673 -6.977 1.00 0.00 C ATOM 697 C VAL A 44 0.646 8.518 -7.105 1.00 0.00 C ATOM 698 O VAL A 44 0.763 9.573 -6.477 1.00 0.00 O ATOM 699 CB VAL A 44 -1.766 8.204 -7.879 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.450 7.991 -9.366 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.123 7.541 -7.593 1.00 0.00 C ATOM 0 H VAL A 44 -0.990 8.615 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.405 6.657 -7.306 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.837 9.266 -7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.272 8.374 -9.971 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.533 8.521 -9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.321 6.927 -9.562 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.879 7.958 -8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.045 6.467 -7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.408 7.728 -6.558 1.00 0.00 H new ATOM 711 N LYS A 45 1.582 8.076 -7.944 1.00 0.00 N ATOM 712 CA LYS A 45 2.769 8.824 -8.333 1.00 0.00 C ATOM 713 C LYS A 45 2.694 9.075 -9.829 1.00 0.00 C ATOM 714 O LYS A 45 2.240 8.211 -10.583 1.00 0.00 O ATOM 715 CB LYS A 45 4.037 8.035 -7.977 1.00 0.00 C ATOM 716 CG LYS A 45 4.384 8.158 -6.487 1.00 0.00 C ATOM 717 CD LYS A 45 5.565 7.245 -6.133 1.00 0.00 C ATOM 718 CE LYS A 45 5.877 7.318 -4.633 1.00 0.00 C ATOM 719 NZ LYS A 45 6.833 6.262 -4.218 1.00 0.00 N ATOM 0 H LYS A 45 1.530 7.157 -8.384 1.00 0.00 H new ATOM 0 HA LYS A 45 2.812 9.773 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.895 6.985 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.872 8.399 -8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.633 9.192 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.517 7.892 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.332 6.217 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.444 7.540 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.291 8.298 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.953 7.216 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.928 6.267 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.481 5.334 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.761 6.444 -4.652 1.00 0.00 H new ATOM 733 N VAL A 46 3.167 10.242 -10.250 1.00 0.00 N ATOM 734 CA VAL A 46 3.119 10.699 -11.635 1.00 0.00 C ATOM 735 C VAL A 46 4.498 11.241 -12.023 1.00 0.00 C ATOM 736 O VAL A 46 5.184 11.833 -11.183 1.00 0.00 O ATOM 737 CB VAL A 46 1.996 11.748 -11.807 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.603 11.120 -11.636 1.00 0.00 C ATOM 739 CG2 VAL A 46 2.100 12.939 -10.838 1.00 0.00 C ATOM 0 H VAL A 46 3.606 10.915 -9.622 1.00 0.00 H new ATOM 0 HA VAL A 46 2.881 9.874 -12.306 1.00 0.00 H new ATOM 0 HB VAL A 46 2.130 12.121 -12.822 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.160 11.888 -11.764 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.461 10.340 -12.384 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.519 10.687 -10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.277 13.630 -11.021 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.049 12.578 -9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.048 13.454 -10.995 1.00 0.00 H new ATOM 749 N TYR A 47 4.902 11.026 -13.280 1.00 0.00 N ATOM 750 CA TYR A 47 6.174 11.464 -13.846 1.00 0.00 C ATOM 751 C TYR A 47 6.047 11.541 -15.368 1.00 0.00 C ATOM 752 O TYR A 47 5.293 10.787 -15.994 1.00 0.00 O ATOM 753 CB TYR A 47 7.332 10.544 -13.415 1.00 0.00 C ATOM 754 CG TYR A 47 6.941 9.080 -13.400 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.851 8.361 -14.606 1.00 0.00 C ATOM 756 CD2 TYR A 47 6.490 8.503 -12.196 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.242 7.097 -14.621 1.00 0.00 C ATOM 758 CE2 TYR A 47 5.887 7.239 -12.202 1.00 0.00 C ATOM 759 CZ TYR A 47 5.732 6.549 -13.422 1.00 0.00 C ATOM 760 OH TYR A 47 5.069 5.366 -13.431 1.00 0.00 O ATOM 0 H TYR A 47 4.326 10.522 -13.954 1.00 0.00 H new ATOM 0 HA TYR A 47 6.412 12.456 -13.462 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.174 10.684 -14.093 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.672 10.835 -12.421 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.250 8.781 -15.518 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.610 9.038 -11.265 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.163 6.545 -15.546 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.543 6.796 -11.279 1.00 0.00 H new ATOM 0 HH TYR A 47 4.279 5.438 -14.006 1.00 0.00 H new ATOM 770 N CYS A 48 6.796 12.465 -15.964 1.00 0.00 N ATOM 771 CA CYS A 48 6.687 12.889 -17.349 1.00 0.00 C ATOM 772 C CYS A 48 8.080 13.309 -17.839 1.00 0.00 C ATOM 773 O CYS A 48 9.019 13.384 -17.047 1.00 0.00 O ATOM 774 CB CYS A 48 5.719 14.081 -17.367 1.00 0.00 C ATOM 775 SG CYS A 48 5.133 14.441 -19.041 1.00 0.00 S ATOM 0 H CYS A 48 7.533 12.962 -15.464 1.00 0.00 H new ATOM 0 HA CYS A 48 6.319 12.096 -18.000 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.867 13.868 -16.721 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.217 14.960 -16.959 1.00 0.00 H new ATOM 0 HG CYS A 48 3.966 13.896 -19.219 1.00 0.00 H new ATOM 781 N ASN A 49 8.225 13.632 -19.125 1.00 0.00 N ATOM 782 CA ASN A 49 9.489 14.099 -19.708 1.00 0.00 C ATOM 783 C ASN A 49 10.031 15.367 -19.026 1.00 0.00 C ATOM 784 O ASN A 49 11.243 15.587 -19.040 1.00 0.00 O ATOM 785 CB ASN A 49 9.311 14.348 -21.213 1.00 0.00 C ATOM 786 CG ASN A 49 10.607 14.809 -21.876 1.00 0.00 C ATOM 787 OD1 ASN A 49 10.777 15.986 -22.182 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.537 13.900 -22.123 1.00 0.00 N ATOM 0 H ASN A 49 7.462 13.577 -19.800 1.00 0.00 H new ATOM 0 HA ASN A 49 10.225 13.312 -19.544 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.964 13.433 -21.693 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.538 15.101 -21.367 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.410 14.173 -22.574 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.380 12.926 -21.863 1.00 0.00 H new ATOM 795 N ALA A 50 9.163 16.177 -18.408 1.00 0.00 N ATOM 796 CA ALA A 50 9.535 17.364 -17.650 1.00 0.00 C ATOM 797 C ALA A 50 8.704 17.412 -16.370 1.00 0.00 C ATOM 798 O ALA A 50 7.506 17.123 -16.394 1.00 0.00 O ATOM 799 CB ALA A 50 9.296 18.616 -18.505 1.00 0.00 C ATOM 0 H ALA A 50 8.156 16.015 -18.426 1.00 0.00 H new ATOM 0 HA ALA A 50 10.592 17.328 -17.386 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.575 19.503 -17.937 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.901 18.560 -19.410 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.242 18.675 -18.777 1.00 0.00 H new ATOM 805 N GLY A 51 9.332 17.821 -15.266 1.00 0.00 N ATOM 806 CA GLY A 51 8.738 17.810 -13.931 1.00 0.00 C ATOM 807 C GLY A 51 7.521 18.726 -13.810 1.00 0.00 C ATOM 808 O GLY A 51 6.606 18.423 -13.048 1.00 0.00 O ATOM 0 H GLY A 51 10.288 18.176 -15.277 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.445 16.791 -13.678 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.489 18.116 -13.203 1.00 0.00 H new ATOM 812 N ARG A 52 7.457 19.810 -14.594 1.00 0.00 N ATOM 813 CA ARG A 52 6.267 20.655 -14.707 1.00 0.00 C ATOM 814 C ARG A 52 5.065 19.812 -15.112 1.00 0.00 C ATOM 815 O ARG A 52 4.002 19.972 -14.517 1.00 0.00 O ATOM 816 CB ARG A 52 6.533 21.788 -15.721 1.00 0.00 C ATOM 817 CG ARG A 52 5.314 22.630 -16.155 1.00 0.00 C ATOM 818 CD ARG A 52 4.686 23.514 -15.061 1.00 0.00 C ATOM 819 NE ARG A 52 3.814 22.754 -14.148 1.00 0.00 N ATOM 820 CZ ARG A 52 2.914 23.252 -13.290 1.00 0.00 C ATOM 821 NH1 ARG A 52 2.741 24.562 -13.152 1.00 0.00 N ATOM 822 NH2 ARG A 52 2.181 22.404 -12.580 1.00 0.00 N ATOM 0 H ARG A 52 8.237 20.125 -15.171 1.00 0.00 H new ATOM 0 HA ARG A 52 6.043 21.108 -13.741 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.276 22.461 -15.293 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.978 21.348 -16.614 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.615 23.270 -16.984 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.547 21.955 -16.535 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.479 23.992 -14.486 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.108 24.310 -15.530 1.00 0.00 H new ATOM 0 HE ARG A 52 3.906 21.738 -14.172 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.300 25.211 -13.706 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.050 24.918 -12.492 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.310 21.399 -12.695 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.489 22.757 -11.920 1.00 0.00 H new ATOM 836 N GLN A 53 5.205 18.938 -16.104 1.00 0.00 N ATOM 837 CA GLN A 53 4.092 18.153 -16.616 1.00 0.00 C ATOM 838 C GLN A 53 3.694 17.082 -15.601 1.00 0.00 C ATOM 839 O GLN A 53 2.502 16.858 -15.395 1.00 0.00 O ATOM 840 CB GLN A 53 4.471 17.545 -17.972 1.00 0.00 C ATOM 841 CG GLN A 53 4.830 18.578 -19.053 1.00 0.00 C ATOM 842 CD GLN A 53 3.666 19.515 -19.372 1.00 0.00 C ATOM 843 OE1 GLN A 53 3.430 20.495 -18.670 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.895 19.230 -20.409 1.00 0.00 N ATOM 0 H GLN A 53 6.092 18.756 -16.573 1.00 0.00 H new ATOM 0 HA GLN A 53 3.225 18.796 -16.768 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.319 16.874 -17.832 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.640 16.937 -18.329 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.685 19.166 -18.720 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.134 18.058 -19.962 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.098 18.414 -20.987 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.098 19.826 -20.631 1.00 0.00 H new ATOM 853 N SER A 54 4.661 16.487 -14.897 1.00 0.00 N ATOM 854 CA SER A 54 4.383 15.627 -13.755 1.00 0.00 C ATOM 855 C SER A 54 3.563 16.395 -12.704 1.00 0.00 C ATOM 856 O SER A 54 2.547 15.904 -12.211 1.00 0.00 O ATOM 857 CB SER A 54 5.711 15.158 -13.158 1.00 0.00 C ATOM 858 OG SER A 54 6.662 14.795 -14.142 1.00 0.00 O ATOM 0 H SER A 54 5.654 16.591 -15.106 1.00 0.00 H new ATOM 0 HA SER A 54 3.802 14.762 -14.075 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.124 15.952 -12.537 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.528 14.305 -12.505 1.00 0.00 H new ATOM 0 HG SER A 54 7.417 14.339 -13.715 1.00 0.00 H new ATOM 864 N GLY A 55 3.956 17.640 -12.422 1.00 0.00 N ATOM 865 CA GLY A 55 3.257 18.552 -11.534 1.00 0.00 C ATOM 866 C GLY A 55 1.834 18.836 -12.015 1.00 0.00 C ATOM 867 O GLY A 55 0.903 18.817 -11.215 1.00 0.00 O ATOM 0 H GLY A 55 4.800 18.048 -12.824 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.223 18.127 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.811 19.488 -11.466 1.00 0.00 H new ATOM 871 N GLN A 56 1.635 19.060 -13.318 1.00 0.00 N ATOM 872 CA GLN A 56 0.304 19.284 -13.875 1.00 0.00 C ATOM 873 C GLN A 56 -0.577 18.058 -13.663 1.00 0.00 C ATOM 874 O GLN A 56 -1.725 18.214 -13.256 1.00 0.00 O ATOM 875 CB GLN A 56 0.356 19.614 -15.371 1.00 0.00 C ATOM 876 CG GLN A 56 0.960 20.986 -15.685 1.00 0.00 C ATOM 877 CD GLN A 56 0.298 21.647 -16.897 1.00 0.00 C ATOM 878 OE1 GLN A 56 -0.826 22.136 -16.815 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.957 21.690 -18.043 1.00 0.00 N ATOM 0 H GLN A 56 2.386 19.090 -14.007 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.120 20.140 -13.350 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.938 18.847 -15.882 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.654 19.572 -15.777 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.853 21.635 -14.816 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.028 20.876 -15.872 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.890 21.284 -18.110 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.532 22.129 -18.860 1.00 0.00 H new ATOM 888 N ALA A 57 -0.061 16.843 -13.880 1.00 0.00 N ATOM 889 CA ALA A 57 -0.834 15.639 -13.597 1.00 0.00 C ATOM 890 C ALA A 57 -1.197 15.568 -12.116 1.00 0.00 C ATOM 891 O ALA A 57 -2.297 15.135 -11.781 1.00 0.00 O ATOM 892 CB ALA A 57 -0.081 14.382 -14.026 1.00 0.00 C ATOM 0 H ALA A 57 0.876 16.673 -14.246 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.755 15.691 -14.178 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.684 13.502 -13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.116 14.423 -15.097 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.864 14.322 -13.486 1.00 0.00 H new ATOM 898 N LYS A 58 -0.310 16.029 -11.230 1.00 0.00 N ATOM 899 CA LYS A 58 -0.608 16.036 -9.797 1.00 0.00 C ATOM 900 C LYS A 58 -1.782 16.976 -9.545 1.00 0.00 C ATOM 901 O LYS A 58 -2.717 16.600 -8.838 1.00 0.00 O ATOM 902 CB LYS A 58 0.651 16.375 -8.968 1.00 0.00 C ATOM 903 CG LYS A 58 0.489 16.068 -7.468 1.00 0.00 C ATOM 904 CD LYS A 58 -0.152 17.195 -6.642 1.00 0.00 C ATOM 905 CE LYS A 58 -0.634 16.641 -5.294 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.484 17.610 -4.561 1.00 0.00 N ATOM 0 H LYS A 58 0.609 16.398 -11.476 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.906 15.041 -9.465 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.498 15.811 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.887 17.432 -9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.117 15.168 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.470 15.844 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.570 17.995 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.990 17.628 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.195 15.722 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.229 16.381 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.660 17.259 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.999 18.529 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.390 17.723 -5.059 1.00 0.00 H new ATOM 920 N GLU A 59 -1.770 18.172 -10.132 1.00 0.00 N ATOM 921 CA GLU A 59 -2.862 19.130 -9.993 1.00 0.00 C ATOM 922 C GLU A 59 -4.162 18.573 -10.589 1.00 0.00 C ATOM 923 O GLU A 59 -5.218 18.732 -9.981 1.00 0.00 O ATOM 924 CB GLU A 59 -2.486 20.479 -10.630 1.00 0.00 C ATOM 925 CG GLU A 59 -1.413 21.221 -9.817 1.00 0.00 C ATOM 926 CD GLU A 59 -1.112 22.616 -10.394 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.918 23.552 -10.187 1.00 0.00 O ATOM 928 OE2 GLU A 59 -0.050 22.798 -11.033 1.00 0.00 O ATOM 0 H GLU A 59 -1.002 18.503 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.034 19.299 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.122 20.312 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.376 21.103 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.746 21.320 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.497 20.630 -9.801 1.00 0.00 H new ATOM 935 N ILE A 60 -4.105 17.872 -11.727 1.00 0.00 N ATOM 936 CA ILE A 60 -5.270 17.240 -12.347 1.00 0.00 C ATOM 937 C ILE A 60 -5.871 16.210 -11.383 1.00 0.00 C ATOM 938 O ILE A 60 -7.081 16.212 -11.158 1.00 0.00 O ATOM 939 CB ILE A 60 -4.877 16.625 -13.717 1.00 0.00 C ATOM 940 CG1 ILE A 60 -4.641 17.741 -14.762 1.00 0.00 C ATOM 941 CG2 ILE A 60 -5.949 15.649 -14.235 1.00 0.00 C ATOM 942 CD1 ILE A 60 -3.942 17.251 -16.039 1.00 0.00 C ATOM 0 H ILE A 60 -3.239 17.727 -12.247 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.040 17.985 -12.546 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.954 16.065 -13.567 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.600 18.184 -15.030 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.040 18.530 -14.309 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.636 15.241 -15.196 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.077 14.836 -13.520 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.894 16.178 -14.357 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.810 18.087 -16.725 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.968 16.834 -15.783 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.552 16.483 -16.516 1.00 0.00 H new ATOM 954 N LEU A 61 -5.052 15.336 -10.792 1.00 0.00 N ATOM 955 CA LEU A 61 -5.566 14.316 -9.882 1.00 0.00 C ATOM 956 C LEU A 61 -6.059 14.943 -8.573 1.00 0.00 C ATOM 957 O LEU A 61 -7.002 14.430 -7.967 1.00 0.00 O ATOM 958 CB LEU A 61 -4.515 13.224 -9.630 1.00 0.00 C ATOM 959 CG LEU A 61 -4.094 12.403 -10.871 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.292 11.169 -10.443 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.287 11.959 -11.722 1.00 0.00 C ATOM 0 H LEU A 61 -4.041 15.316 -10.927 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.424 13.840 -10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.626 13.691 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.903 12.538 -8.877 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.478 13.061 -11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.002 10.600 -11.326 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.398 11.485 -9.905 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.905 10.544 -9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.930 11.387 -12.579 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.951 11.337 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.830 12.836 -12.073 1.00 0.00 H new ATOM 973 N SER A 62 -5.478 16.072 -8.160 1.00 0.00 N ATOM 974 CA SER A 62 -5.962 16.845 -7.023 1.00 0.00 C ATOM 975 C SER A 62 -7.335 17.459 -7.332 1.00 0.00 C ATOM 976 O SER A 62 -8.209 17.454 -6.467 1.00 0.00 O ATOM 977 CB SER A 62 -4.947 17.929 -6.644 1.00 0.00 C ATOM 978 OG SER A 62 -3.661 17.368 -6.426 1.00 0.00 O ATOM 0 H SER A 62 -4.655 16.474 -8.609 1.00 0.00 H new ATOM 0 HA SER A 62 -6.078 16.175 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.893 18.675 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.280 18.445 -5.744 1.00 0.00 H new ATOM 0 HG SER A 62 -3.231 17.191 -7.289 1.00 0.00 H new ATOM 984 N GLU A 63 -7.570 17.932 -8.562 1.00 0.00 N ATOM 985 CA GLU A 63 -8.872 18.432 -9.003 1.00 0.00 C ATOM 986 C GLU A 63 -9.901 17.291 -9.014 1.00 0.00 C ATOM 987 O GLU A 63 -11.045 17.486 -8.599 1.00 0.00 O ATOM 988 CB GLU A 63 -8.730 19.101 -10.382 1.00 0.00 C ATOM 989 CG GLU A 63 -10.030 19.767 -10.855 1.00 0.00 C ATOM 990 CD GLU A 63 -9.838 20.493 -12.197 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.004 19.858 -13.263 1.00 0.00 O ATOM 992 OE2 GLU A 63 -9.542 21.711 -12.198 1.00 0.00 O ATOM 0 H GLU A 63 -6.852 17.978 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.235 19.186 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.939 19.849 -10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.422 18.354 -11.114 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.810 19.012 -10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.371 20.477 -10.102 1.00 0.00 H new ATOM 999 N MET A 64 -9.482 16.082 -9.408 1.00 0.00 N ATOM 1000 CA MET A 64 -10.289 14.864 -9.301 1.00 0.00 C ATOM 1001 C MET A 64 -10.475 14.400 -7.844 1.00 0.00 C ATOM 1002 O MET A 64 -11.208 13.440 -7.601 1.00 0.00 O ATOM 1003 CB MET A 64 -9.682 13.745 -10.166 1.00 0.00 C ATOM 1004 CG MET A 64 -9.797 14.032 -11.669 1.00 0.00 C ATOM 1005 SD MET A 64 -11.491 14.215 -12.307 1.00 0.00 S ATOM 1006 CE MET A 64 -12.127 12.530 -12.072 1.00 0.00 C ATOM 0 H MET A 64 -8.561 15.922 -9.815 1.00 0.00 H new ATOM 0 HA MET A 64 -11.284 15.102 -9.676 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.632 13.617 -9.904 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.184 12.804 -9.940 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.244 14.945 -11.890 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.308 13.224 -12.213 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.105 12.441 -12.544 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.440 11.815 -12.524 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.218 12.321 -11.006 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.851 15.066 -6.868 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.061 14.822 -5.449 1.00 0.00 C ATOM 1018 C GLY A 65 -9.407 13.535 -4.957 1.00 0.00 C ATOM 1019 O GLY A 65 -9.858 12.989 -3.949 1.00 0.00 O ATOM 0 H GLY A 65 -9.172 15.805 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.666 15.663 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.132 14.777 -5.249 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.381 13.022 -5.643 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.619 11.879 -5.149 1.00 0.00 C ATOM 1025 C TYR A 66 -6.899 12.316 -3.872 1.00 0.00 C ATOM 1026 O TYR A 66 -6.175 13.314 -3.881 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.648 11.356 -6.219 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.308 10.413 -7.211 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.344 10.871 -8.049 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.941 9.054 -7.236 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.059 9.967 -8.854 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.639 8.148 -8.054 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.727 8.594 -8.838 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.470 7.714 -9.561 1.00 0.00 O ATOM 0 H TYR A 66 -8.062 13.383 -6.542 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.283 11.046 -4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.221 12.201 -6.759 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.822 10.840 -5.730 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.590 11.922 -8.073 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.121 8.706 -6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.861 10.322 -9.484 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.343 7.110 -8.083 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.221 6.798 -9.318 1.00 0.00 H new ATOM 1044 N THR A 67 -7.118 11.601 -2.767 1.00 0.00 N ATOM 1045 CA THR A 67 -6.684 12.022 -1.444 1.00 0.00 C ATOM 1046 C THR A 67 -5.154 12.043 -1.310 1.00 0.00 C ATOM 1047 O THR A 67 -4.621 12.822 -0.517 1.00 0.00 O ATOM 1048 CB THR A 67 -7.315 11.089 -0.392 1.00 0.00 C ATOM 1049 OG1 THR A 67 -8.580 10.597 -0.807 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.552 11.831 0.917 1.00 0.00 C ATOM 0 H THR A 67 -7.607 10.706 -2.771 1.00 0.00 H new ATOM 0 HA THR A 67 -7.019 13.046 -1.282 1.00 0.00 H new ATOM 0 HB THR A 67 -6.612 10.266 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.946 10.009 -0.114 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.998 11.152 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.602 12.202 1.302 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.226 12.670 0.743 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.445 11.213 -2.084 1.00 0.00 N ATOM 1059 CA HIS A 68 -3.014 10.992 -1.945 1.00 0.00 C ATOM 1060 C HIS A 68 -2.415 10.919 -3.348 1.00 0.00 C ATOM 1061 O HIS A 68 -2.624 9.947 -4.073 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.767 9.701 -1.142 1.00 0.00 C ATOM 1063 CG HIS A 68 -3.398 9.691 0.230 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -4.439 8.887 0.636 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -3.068 10.490 1.293 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -4.736 9.197 1.908 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -3.923 10.172 2.359 1.00 0.00 N ATOM 0 H HIS A 68 -4.865 10.669 -2.837 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.536 11.805 -1.399 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.150 8.854 -1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.692 9.553 -1.036 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.904 8.178 0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.286 11.235 1.308 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.518 8.730 2.489 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.680 11.954 -3.750 1.00 0.00 N ATOM 1076 CA VAL A 69 -0.975 11.999 -5.023 1.00 0.00 C ATOM 1077 C VAL A 69 0.351 12.701 -4.755 1.00 0.00 C ATOM 1078 O VAL A 69 0.404 13.640 -3.955 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.795 12.736 -6.108 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.167 12.527 -7.496 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.267 12.303 -6.181 1.00 0.00 C ATOM 0 H VAL A 69 -1.558 12.797 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.815 10.993 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.772 13.786 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.758 13.053 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.149 12.917 -7.497 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.148 11.463 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.773 12.865 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.322 11.238 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.752 12.498 -5.224 1.00 0.00 H new ATOM 1091 N GLU A 70 1.410 12.268 -5.432 1.00 0.00 N ATOM 1092 CA GLU A 70 2.742 12.813 -5.274 1.00 0.00 C ATOM 1093 C GLU A 70 3.355 12.999 -6.660 1.00 0.00 C ATOM 1094 O GLU A 70 3.398 12.064 -7.465 1.00 0.00 O ATOM 1095 CB GLU A 70 3.558 11.857 -4.388 1.00 0.00 C ATOM 1096 CG GLU A 70 4.971 12.387 -4.127 1.00 0.00 C ATOM 1097 CD GLU A 70 5.731 11.508 -3.119 1.00 0.00 C ATOM 1098 OE1 GLU A 70 6.411 10.545 -3.538 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.674 11.786 -1.899 1.00 0.00 O ATOM 0 H GLU A 70 1.359 11.514 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 70 2.729 13.787 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.043 11.713 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.619 10.880 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.524 12.426 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.913 13.408 -3.749 1.00 0.00 H new ATOM 1106 N ASN A 71 3.815 14.219 -6.950 1.00 0.00 N ATOM 1107 CA ASN A 71 4.657 14.455 -8.114 1.00 0.00 C ATOM 1108 C ASN A 71 6.004 13.818 -7.787 1.00 0.00 C ATOM 1109 O ASN A 71 6.722 14.311 -6.912 1.00 0.00 O ATOM 1110 CB ASN A 71 4.837 15.952 -8.406 1.00 0.00 C ATOM 1111 CG ASN A 71 5.956 16.155 -9.427 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.227 15.287 -10.247 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.658 17.269 -9.388 1.00 0.00 N ATOM 0 H ASN A 71 3.617 15.051 -6.395 1.00 0.00 H new ATOM 0 HA ASN A 71 4.200 14.027 -9.006 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.906 16.371 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.073 16.485 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.428 17.409 -10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.431 17.991 -8.704 1.00 0.00 H new ATOM 1120 N ALA A 72 6.329 12.711 -8.450 1.00 0.00 N ATOM 1121 CA ALA A 72 7.545 11.970 -8.170 1.00 0.00 C ATOM 1122 C ALA A 72 8.782 12.653 -8.771 1.00 0.00 C ATOM 1123 O ALA A 72 9.887 12.445 -8.267 1.00 0.00 O ATOM 1124 CB ALA A 72 7.376 10.558 -8.719 1.00 0.00 C ATOM 0 H ALA A 72 5.757 12.308 -9.192 1.00 0.00 H new ATOM 0 HA ALA A 72 7.708 11.937 -7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.279 9.980 -8.521 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.525 10.079 -8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.204 10.604 -9.794 1.00 0.00 H new ATOM 1130 N GLY A 73 8.614 13.452 -9.830 1.00 0.00 N ATOM 1131 CA GLY A 73 9.693 14.115 -10.549 1.00 0.00 C ATOM 1132 C GLY A 73 9.511 13.928 -12.050 1.00 0.00 C ATOM 1133 O GLY A 73 8.444 13.520 -12.515 1.00 0.00 O ATOM 0 H GLY A 73 7.693 13.658 -10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.704 15.177 -10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.654 13.706 -10.237 1.00 0.00 H new ATOM 1137 N GLY A 74 10.548 14.234 -12.827 1.00 0.00 N ATOM 1138 CA GLY A 74 10.582 13.866 -14.235 1.00 0.00 C ATOM 1139 C GLY A 74 10.991 12.398 -14.359 1.00 0.00 C ATOM 1140 O GLY A 74 11.664 11.860 -13.478 1.00 0.00 O ATOM 0 H GLY A 74 11.374 14.736 -12.502 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.603 14.023 -14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.288 14.500 -14.772 1.00 0.00 H new ATOM 1144 N LEU A 75 10.649 11.752 -15.474 1.00 0.00 N ATOM 1145 CA LEU A 75 11.049 10.375 -15.772 1.00 0.00 C ATOM 1146 C LEU A 75 12.576 10.250 -15.777 1.00 0.00 C ATOM 1147 O LEU A 75 13.119 9.287 -15.240 1.00 0.00 O ATOM 1148 CB LEU A 75 10.446 9.951 -17.128 1.00 0.00 C ATOM 1149 CG LEU A 75 10.951 8.591 -17.658 1.00 0.00 C ATOM 1150 CD1 LEU A 75 10.653 7.444 -16.688 1.00 0.00 C ATOM 1151 CD2 LEU A 75 10.300 8.272 -19.005 1.00 0.00 C ATOM 0 H LEU A 75 10.079 12.175 -16.206 1.00 0.00 H new ATOM 0 HA LEU A 75 10.669 9.709 -14.998 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.361 9.908 -17.031 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.670 10.720 -17.867 1.00 0.00 H new ATOM 0 HG LEU A 75 12.032 8.679 -17.768 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.027 6.509 -17.105 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.143 7.638 -15.734 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.577 7.368 -16.534 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.665 7.311 -19.367 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.218 8.227 -18.884 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.553 9.050 -19.725 1.00 0.00 H new ATOM 1163 N LYS A 76 13.271 11.231 -16.364 1.00 0.00 N ATOM 1164 CA LYS A 76 14.733 11.257 -16.384 1.00 0.00 C ATOM 1165 C LYS A 76 15.304 11.468 -14.980 1.00 0.00 C ATOM 1166 O LYS A 76 16.418 11.018 -14.708 1.00 0.00 O ATOM 1167 CB LYS A 76 15.232 12.375 -17.320 1.00 0.00 C ATOM 1168 CG LYS A 76 14.842 12.212 -18.800 1.00 0.00 C ATOM 1169 CD LYS A 76 15.480 10.983 -19.467 1.00 0.00 C ATOM 1170 CE LYS A 76 15.199 11.007 -20.976 1.00 0.00 C ATOM 1171 NZ LYS A 76 15.875 9.900 -21.694 1.00 0.00 N ATOM 0 H LYS A 76 12.836 12.024 -16.835 1.00 0.00 H new ATOM 0 HA LYS A 76 15.079 10.292 -16.754 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.843 13.328 -16.961 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.319 12.427 -17.251 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.757 12.135 -18.876 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.137 13.107 -19.347 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.555 10.978 -19.288 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.079 10.070 -19.027 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.124 10.942 -21.144 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.529 11.960 -21.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.739 10.017 -22.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.892 9.914 -21.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.469 8.991 -21.392 1.00 0.00 H new ATOM 1185 N ASP A 77 14.579 12.170 -14.103 1.00 0.00 N ATOM 1186 CA ASP A 77 15.051 12.487 -12.758 1.00 0.00 C ATOM 1187 C ASP A 77 14.885 11.293 -11.820 1.00 0.00 C ATOM 1188 O ASP A 77 15.781 11.035 -11.015 1.00 0.00 O ATOM 1189 CB ASP A 77 14.305 13.699 -12.190 1.00 0.00 C ATOM 1190 CG ASP A 77 14.806 14.031 -10.774 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.932 14.560 -10.636 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.064 13.797 -9.796 1.00 0.00 O ATOM 0 H ASP A 77 13.648 12.533 -14.309 1.00 0.00 H new ATOM 0 HA ASP A 77 16.112 12.727 -12.832 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.449 14.560 -12.843 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.235 13.494 -12.164 1.00 0.00 H new ATOM 1197 N ILE A 78 13.773 10.550 -11.918 1.00 0.00 N ATOM 1198 CA ILE A 78 13.538 9.383 -11.072 1.00 0.00 C ATOM 1199 C ILE A 78 14.609 8.321 -11.350 1.00 0.00 C ATOM 1200 O ILE A 78 14.921 8.031 -12.508 1.00 0.00 O ATOM 1201 CB ILE A 78 12.093 8.899 -11.313 1.00 0.00 C ATOM 1202 CG1 ILE A 78 11.137 9.935 -10.686 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.807 7.502 -10.734 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.712 9.772 -11.189 1.00 0.00 C ATOM 0 H ILE A 78 13.022 10.743 -12.580 1.00 0.00 H new ATOM 0 HA ILE A 78 13.627 9.622 -10.012 1.00 0.00 H new ATOM 0 HB ILE A 78 11.943 8.810 -12.389 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.152 9.833 -9.601 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.490 10.940 -10.916 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.773 7.227 -10.941 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.475 6.774 -11.194 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.970 7.514 -9.656 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.073 10.522 -10.722 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.691 9.901 -12.271 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.348 8.776 -10.935 1.00 0.00 H new ATOM 1216 N ALA A 79 15.127 7.688 -10.290 1.00 0.00 N ATOM 1217 CA ALA A 79 16.216 6.710 -10.360 1.00 0.00 C ATOM 1218 C ALA A 79 15.730 5.278 -10.100 1.00 0.00 C ATOM 1219 O ALA A 79 16.499 4.405 -9.691 1.00 0.00 O ATOM 1220 CB ALA A 79 17.349 7.144 -9.419 1.00 0.00 C ATOM 0 H ALA A 79 14.792 7.846 -9.340 1.00 0.00 H new ATOM 0 HA ALA A 79 16.610 6.689 -11.376 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.161 6.419 -9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.719 8.124 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.973 7.198 -8.397 1.00 0.00 H new ATOM 1226 N MET A 80 14.441 5.045 -10.339 1.00 0.00 N ATOM 1227 CA MET A 80 13.855 3.706 -10.366 1.00 0.00 C ATOM 1228 C MET A 80 14.310 2.993 -11.649 1.00 0.00 C ATOM 1229 O MET A 80 14.596 3.680 -12.641 1.00 0.00 O ATOM 1230 CB MET A 80 12.317 3.783 -10.332 1.00 0.00 C ATOM 1231 CG MET A 80 11.778 4.292 -8.988 1.00 0.00 C ATOM 1232 SD MET A 80 12.064 3.202 -7.561 1.00 0.00 S ATOM 1233 CE MET A 80 10.879 1.871 -7.913 1.00 0.00 C ATOM 0 H MET A 80 13.767 5.788 -10.521 1.00 0.00 H new ATOM 0 HA MET A 80 14.188 3.152 -9.489 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.973 4.441 -11.129 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.903 2.795 -10.534 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.232 5.261 -8.779 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.705 4.457 -9.087 1.00 0.00 H new ATOM 0 HE1 MET A 80 10.881 1.155 -7.091 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.880 2.293 -8.025 1.00 0.00 H new ATOM 0 HE3 MET A 80 11.164 1.365 -8.835 1.00 0.00 H new ATOM 1243 N PRO A 81 14.351 1.645 -11.661 1.00 0.00 N ATOM 1244 CA PRO A 81 14.550 0.851 -12.870 1.00 0.00 C ATOM 1245 C PRO A 81 13.558 1.224 -13.975 1.00 0.00 C ATOM 1246 O PRO A 81 12.428 1.643 -13.695 1.00 0.00 O ATOM 1247 CB PRO A 81 14.365 -0.612 -12.449 1.00 0.00 C ATOM 1248 CG PRO A 81 14.695 -0.602 -10.960 1.00 0.00 C ATOM 1249 CD PRO A 81 14.188 0.766 -10.510 1.00 0.00 C ATOM 0 HA PRO A 81 15.540 1.033 -13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.347 -0.956 -12.632 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.030 -1.275 -13.002 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.196 -1.413 -10.430 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.764 -0.716 -10.782 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.144 0.714 -10.201 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.756 1.132 -9.654 1.00 0.00 H new ATOM 1257 N LYS A 82 13.957 1.025 -15.235 1.00 0.00 N ATOM 1258 CA LYS A 82 13.146 1.352 -16.401 1.00 0.00 C ATOM 1259 C LYS A 82 13.303 0.260 -17.450 1.00 0.00 C ATOM 1260 O LYS A 82 14.354 -0.382 -17.525 1.00 0.00 O ATOM 1261 CB LYS A 82 13.569 2.708 -17.000 1.00 0.00 C ATOM 1262 CG LYS A 82 13.451 3.872 -16.007 1.00 0.00 C ATOM 1263 CD LYS A 82 13.957 5.193 -16.597 1.00 0.00 C ATOM 1264 CE LYS A 82 14.006 6.293 -15.526 1.00 0.00 C ATOM 1265 NZ LYS A 82 15.005 6.019 -14.460 1.00 0.00 N ATOM 0 H LYS A 82 14.866 0.627 -15.472 1.00 0.00 H new ATOM 0 HA LYS A 82 12.103 1.421 -16.091 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.600 2.639 -17.347 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.952 2.920 -17.873 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.410 3.986 -15.706 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.019 3.638 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.951 5.049 -17.021 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.305 5.504 -17.413 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.241 7.245 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.020 6.397 -15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.091 6.852 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.696 5.201 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.928 5.813 -14.894 1.00 0.00 H new ATOM 1279 N VAL A 83 12.282 0.089 -18.282 1.00 0.00 N ATOM 1280 CA VAL A 83 12.230 -0.833 -19.401 1.00 0.00 C ATOM 1281 C VAL A 83 11.449 -0.141 -20.524 1.00 0.00 C ATOM 1282 O VAL A 83 10.697 0.799 -20.259 1.00 0.00 O ATOM 1283 CB VAL A 83 11.546 -2.145 -18.961 1.00 0.00 C ATOM 1284 CG1 VAL A 83 12.525 -3.086 -18.245 1.00 0.00 C ATOM 1285 CG2 VAL A 83 10.310 -1.952 -18.066 1.00 0.00 C ATOM 0 H VAL A 83 11.419 0.624 -18.184 1.00 0.00 H new ATOM 0 HA VAL A 83 13.229 -1.091 -19.754 1.00 0.00 H new ATOM 0 HB VAL A 83 11.206 -2.589 -19.897 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.005 -3.998 -17.952 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.346 -3.337 -18.917 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.921 -2.592 -17.357 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.894 -2.925 -17.805 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.598 -1.425 -17.156 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.561 -1.369 -18.601 1.00 0.00 H new ATOM 1295 N LYS A 84 11.628 -0.564 -21.779 1.00 0.00 N ATOM 1296 CA LYS A 84 10.779 -0.098 -22.877 1.00 0.00 C ATOM 1297 C LYS A 84 9.401 -0.765 -22.802 1.00 0.00 C ATOM 1298 O LYS A 84 9.278 -1.881 -22.286 1.00 0.00 O ATOM 1299 CB LYS A 84 11.455 -0.298 -24.238 1.00 0.00 C ATOM 1300 CG LYS A 84 11.728 -1.766 -24.551 1.00 0.00 C ATOM 1301 CD LYS A 84 12.387 -1.917 -25.920 1.00 0.00 C ATOM 1302 CE LYS A 84 12.577 -3.418 -26.098 1.00 0.00 C ATOM 1303 NZ LYS A 84 13.212 -3.771 -27.392 1.00 0.00 N ATOM 0 H LYS A 84 12.351 -1.227 -22.058 1.00 0.00 H new ATOM 0 HA LYS A 84 10.631 0.976 -22.769 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.822 0.124 -25.019 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.395 0.254 -24.257 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.374 -2.192 -23.783 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.794 -2.327 -24.529 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.760 -1.502 -26.709 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.340 -1.390 -25.960 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.190 -3.801 -25.282 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.608 -3.912 -26.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.316 -4.804 -27.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.617 -3.433 -28.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.149 -3.324 -27.452 1.00 0.00 H new ATOM 1317 N GLY A 85 8.390 -0.092 -23.354 1.00 0.00 N ATOM 1318 CA GLY A 85 7.055 -0.639 -23.546 1.00 0.00 C ATOM 1319 C GLY A 85 7.127 -1.934 -24.348 1.00 0.00 C ATOM 1320 O GLY A 85 7.807 -1.950 -25.395 1.00 0.00 O ATOM 1321 OXT GLY A 85 6.489 -2.925 -23.941 1.00 0.00 O ATOM 0 H GLY A 85 8.483 0.868 -23.685 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.589 -0.827 -22.579 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.429 0.085 -24.067 1.00 0.00 H new