USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1074 hydrogens (12 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 100 ASN :FLIP amide:sc= -2.97 F(o=-3.3,f=-1.8) USER MOD Set 1.2: A 119 TYR OH : rot 77:sc= 1.22 USER MOD Set 2.1: A 115 GLN : amide:sc= -2.07 K(o=-2,f=-4!) USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= 0.0803 USER MOD Set 3.1: A 46 LYS NZ :NH3+ -111:sc= -5.2! (180deg=-8.39!) USER MOD Set 3.2: A 48 THR OG1 : rot 168:sc= -0.984! USER MOD Set 4.1: A 11 SER OG : rot 166:sc= 0.463 USER MOD Set 4.2: A 33 HIS : no HD1:sc= -2.88 K(o=-2.4,f=-9.6!) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -162:sc= -1.16 (180deg=-1.99) USER MOD Set 5.2: A 70 TYR OH : rot -148:sc= 0.0359 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -1.41 F(o=-3.9!,f=-1.4) USER MOD Single : A 14 TYR OH : rot -97:sc= 0.257 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -134:sc= -6.1! (180deg=-14.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 179:sc= -2.93 (180deg=-2.96) USER MOD Single : A 24 ASN : amide:sc= -1.45 K(o=-1.5,f=-7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc=-0.00379 X(o=-0.0038,f=-0.0026) USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.286) USER MOD Single : A 39 THR OG1 : rot 95:sc= 0.81 USER MOD Single : A 41 THR OG1 : rot 63:sc= -0.736 USER MOD Single : A 42 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.8!) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.26 F(o=-3.8!,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= -0.688 (180deg=-2.25!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 100:sc= -1.16 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.923 USER MOD Single : A 69 ASN : amide:sc= -0.872 K(o=-0.87,f=-5.1!) USER MOD Single : A 71 ASN : amide:sc= 0.172 K(o=0.17,f=-7.1!) USER MOD Single : A 76 THR OG1 : rot 31:sc= 0.564 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= -2.5 (180deg=-2.65) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 168:sc= 0.15 USER MOD Single : A 98 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 103 ASN : amide:sc= -3.77 K(o=-3.8,f=-5.8!) USER MOD Single : A 104 THR OG1 : rot 116:sc= -4 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 177:sc= -0.931 (180deg=-1.02) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 KTR O3 : rot -130:sc= -3.85! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.659 -0.052 17.405 1.00 0.00 N ATOM 2 CA ALA A 1 -4.413 -1.152 16.750 1.00 0.00 C ATOM 3 C ALA A 1 -4.116 -1.204 15.255 1.00 0.00 C ATOM 4 O ALA A 1 -4.999 -0.977 14.427 1.00 0.00 O ATOM 5 CB ALA A 1 -5.907 -0.980 16.985 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.878 -0.038 18.421 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.639 -0.204 17.273 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.931 0.857 16.979 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.092 -2.095 17.193 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.448 -1.793 16.500 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.111 -0.997 18.056 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.234 -0.027 16.568 1.00 0.00 H new ATOM 13 N PHE A 2 -2.867 -1.506 14.914 1.00 0.00 N ATOM 14 CA PHE A 2 -2.459 -1.587 13.517 1.00 0.00 C ATOM 15 C PHE A 2 -2.659 -3.000 12.973 1.00 0.00 C ATOM 16 O PHE A 2 -3.338 -3.198 11.966 1.00 0.00 O ATOM 17 CB PHE A 2 -0.996 -1.168 13.363 1.00 0.00 C ATOM 18 CG PHE A 2 -0.827 0.198 12.763 1.00 0.00 C ATOM 19 CD1 PHE A 2 -1.558 0.571 11.647 1.00 0.00 C ATOM 20 CD2 PHE A 2 0.059 1.109 13.315 1.00 0.00 C ATOM 21 CE1 PHE A 2 -1.409 1.826 11.091 1.00 0.00 C ATOM 22 CE2 PHE A 2 0.213 2.367 12.763 1.00 0.00 C ATOM 23 CZ PHE A 2 -0.522 2.726 11.650 1.00 0.00 C ATOM 0 H PHE A 2 -2.122 -1.698 15.584 1.00 0.00 H new ATOM 0 HA PHE A 2 -3.084 -0.904 12.942 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -0.515 -1.189 14.341 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -0.481 -1.897 12.738 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -2.253 -0.128 11.206 1.00 0.00 H new ATOM 0 HD2 PHE A 2 0.635 0.833 14.186 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -1.985 2.104 10.221 1.00 0.00 H new ATOM 0 HE2 PHE A 2 0.907 3.068 13.202 1.00 0.00 H new ATOM 0 HZ PHE A 2 -0.404 3.708 11.217 1.00 0.00 H new ATOM 33 N ASP A 3 -2.065 -3.980 13.648 1.00 0.00 N ATOM 34 CA ASP A 3 -2.181 -5.375 13.233 1.00 0.00 C ATOM 35 C ASP A 3 -3.642 -5.811 13.216 1.00 0.00 C ATOM 36 O ASP A 3 -4.269 -5.945 14.266 1.00 0.00 O ATOM 37 CB ASP A 3 -1.378 -6.279 14.171 1.00 0.00 C ATOM 38 CG ASP A 3 0.005 -5.728 14.464 1.00 0.00 C ATOM 39 OD1 ASP A 3 0.720 -5.378 13.501 1.00 0.00 O ATOM 40 OD2 ASP A 3 0.372 -5.647 15.655 1.00 0.00 O ATOM 0 H ASP A 3 -1.499 -3.834 14.484 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.778 -5.465 12.224 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.923 -6.402 15.107 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.284 -7.269 13.725 1.00 0.00 H new ATOM 45 N SER A 4 -4.184 -6.023 12.018 1.00 0.00 N ATOM 46 CA SER A 4 -5.578 -6.433 11.876 1.00 0.00 C ATOM 47 C SER A 4 -5.976 -6.546 10.406 1.00 0.00 C ATOM 48 O SER A 4 -5.151 -6.358 9.511 1.00 0.00 O ATOM 49 CB SER A 4 -6.491 -5.419 12.570 1.00 0.00 C ATOM 50 OG SER A 4 -7.519 -6.068 13.297 1.00 0.00 O ATOM 0 H SER A 4 -3.681 -5.918 11.137 1.00 0.00 H new ATOM 0 HA SER A 4 -5.688 -7.413 12.340 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.902 -4.797 13.244 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.932 -4.754 11.827 1.00 0.00 H new ATOM 0 HG SER A 4 -8.086 -5.397 13.731 1.00 0.00 H new ATOM 56 N THR A 5 -7.255 -6.830 10.168 1.00 0.00 N ATOM 57 CA THR A 5 -7.778 -6.940 8.810 1.00 0.00 C ATOM 58 C THR A 5 -8.246 -5.571 8.341 1.00 0.00 C ATOM 59 O THR A 5 -9.152 -4.983 8.932 1.00 0.00 O ATOM 60 CB THR A 5 -8.940 -7.933 8.757 1.00 0.00 C ATOM 61 OG1 THR A 5 -8.517 -9.226 9.151 1.00 0.00 O ATOM 62 CG2 THR A 5 -9.558 -8.049 7.382 1.00 0.00 C ATOM 0 H THR A 5 -7.948 -6.988 10.900 1.00 0.00 H new ATOM 0 HA THR A 5 -6.987 -7.304 8.155 1.00 0.00 H new ATOM 0 HB THR A 5 -9.689 -7.541 9.445 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.276 -9.845 9.111 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.376 -8.768 7.410 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.940 -7.077 7.072 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.803 -8.386 6.671 1.00 0.00 H new ATOM 70 N TRP A 6 -7.608 -5.045 7.302 1.00 0.00 N ATOM 71 CA TRP A 6 -7.958 -3.724 6.803 1.00 0.00 C ATOM 72 C TRP A 6 -8.546 -3.777 5.401 1.00 0.00 C ATOM 73 O TRP A 6 -7.941 -4.296 4.467 1.00 0.00 O ATOM 74 CB TRP A 6 -6.728 -2.811 6.819 1.00 0.00 C ATOM 75 CG TRP A 6 -6.264 -2.455 8.197 1.00 0.00 C ATOM 76 CD1 TRP A 6 -6.367 -3.222 9.321 1.00 0.00 C ATOM 77 CD2 TRP A 6 -5.616 -1.245 8.597 1.00 0.00 C ATOM 78 NE1 TRP A 6 -5.835 -2.559 10.397 1.00 0.00 N ATOM 79 CE2 TRP A 6 -5.366 -1.344 9.979 1.00 0.00 C ATOM 80 CE3 TRP A 6 -5.226 -0.087 7.923 1.00 0.00 C ATOM 81 CZ2 TRP A 6 -4.744 -0.330 10.698 1.00 0.00 C ATOM 82 CZ3 TRP A 6 -4.607 0.920 8.638 1.00 0.00 C ATOM 83 CH2 TRP A 6 -4.371 0.794 10.013 1.00 0.00 C ATOM 0 H TRP A 6 -6.854 -5.508 6.795 1.00 0.00 H new ATOM 0 HA TRP A 6 -8.724 -3.320 7.465 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.914 -3.303 6.286 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.958 -1.895 6.274 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -6.804 -4.209 9.358 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.795 -2.914 11.353 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.405 0.020 6.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -4.562 -0.426 11.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.299 1.821 8.128 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.885 1.600 10.543 1.00 0.00 H new ATOM 94 N LYS A 7 -9.723 -3.191 5.268 1.00 0.00 N ATOM 95 CA LYS A 7 -10.407 -3.117 3.986 1.00 0.00 C ATOM 96 C LYS A 7 -10.554 -1.665 3.562 1.00 0.00 C ATOM 97 O LYS A 7 -11.096 -0.836 4.293 1.00 0.00 O ATOM 98 CB LYS A 7 -11.774 -3.801 4.056 1.00 0.00 C ATOM 99 CG LYS A 7 -12.710 -3.190 5.084 1.00 0.00 C ATOM 100 CD LYS A 7 -14.168 -3.400 4.707 1.00 0.00 C ATOM 101 CE LYS A 7 -14.997 -2.153 4.969 1.00 0.00 C ATOM 102 NZ LYS A 7 -15.752 -2.246 6.249 1.00 0.00 N ATOM 0 H LYS A 7 -10.230 -2.756 6.039 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.809 -3.643 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.245 -3.753 3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.631 -4.856 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.518 -3.634 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.507 -2.123 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.237 -3.669 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.575 -4.235 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.343 -1.281 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.695 -2.002 4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.304 -1.376 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.395 -3.063 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.085 -2.364 7.038 1.00 0.00 H new ATOM 116 N VAL A 8 -10.043 -1.361 2.384 1.00 0.00 N ATOM 117 CA VAL A 8 -10.090 -0.009 1.860 1.00 0.00 C ATOM 118 C VAL A 8 -11.502 0.367 1.414 1.00 0.00 C ATOM 119 O VAL A 8 -12.190 -0.422 0.766 1.00 0.00 O ATOM 120 CB VAL A 8 -9.093 0.157 0.694 1.00 0.00 C ATOM 121 CG1 VAL A 8 -9.671 -0.372 -0.614 1.00 0.00 C ATOM 122 CG2 VAL A 8 -8.682 1.611 0.560 1.00 0.00 C ATOM 0 H VAL A 8 -9.588 -2.036 1.769 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.802 0.668 2.664 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.206 -0.436 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.942 -0.239 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.903 -1.432 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.581 0.176 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.978 1.716 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.564 2.222 0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.208 1.942 1.484 1.00 0.00 H new ATOM 132 N ASP A 9 -11.930 1.574 1.774 1.00 0.00 N ATOM 133 CA ASP A 9 -13.263 2.049 1.419 1.00 0.00 C ATOM 134 C ASP A 9 -13.231 2.878 0.139 1.00 0.00 C ATOM 135 O ASP A 9 -13.642 2.409 -0.922 1.00 0.00 O ATOM 136 CB ASP A 9 -13.855 2.872 2.565 1.00 0.00 C ATOM 137 CG ASP A 9 -15.250 3.382 2.255 1.00 0.00 C ATOM 138 OD1 ASP A 9 -16.199 2.571 2.283 1.00 0.00 O ATOM 139 OD2 ASP A 9 -15.392 4.593 1.984 1.00 0.00 O ATOM 0 H ASP A 9 -11.374 2.240 2.310 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.894 1.178 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.887 2.261 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.201 3.718 2.776 1.00 0.00 H new ATOM 144 N ARG A 10 -12.742 4.110 0.241 1.00 0.00 N ATOM 145 CA ARG A 10 -12.662 4.990 -0.918 1.00 0.00 C ATOM 146 C ARG A 10 -11.209 5.277 -1.277 1.00 0.00 C ATOM 147 O ARG A 10 -10.323 5.194 -0.427 1.00 0.00 O ATOM 148 CB ARG A 10 -13.433 6.296 -0.662 1.00 0.00 C ATOM 149 CG ARG A 10 -12.661 7.350 0.114 1.00 0.00 C ATOM 150 CD ARG A 10 -12.874 8.741 -0.465 1.00 0.00 C ATOM 151 NE ARG A 10 -12.461 8.826 -1.866 1.00 0.00 N ATOM 152 CZ ARG A 10 -13.301 8.768 -2.899 1.00 0.00 C ATOM 153 NH1 ARG A 10 -14.603 8.596 -2.704 1.00 0.00 N ATOM 154 NH2 ARG A 10 -12.835 8.875 -4.136 1.00 0.00 N ATOM 0 H ARG A 10 -12.397 4.519 1.109 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.125 4.484 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.733 6.718 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.347 6.061 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.976 7.338 1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.598 7.108 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.927 9.010 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.312 9.467 0.122 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.467 8.937 -2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.969 8.507 -1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.237 8.553 -3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.835 9.001 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.476 8.831 -4.928 1.00 0.00 H new ATOM 168 N SER A 11 -10.969 5.609 -2.538 1.00 0.00 N ATOM 169 CA SER A 11 -9.620 5.902 -3.003 1.00 0.00 C ATOM 170 C SER A 11 -9.579 7.215 -3.774 1.00 0.00 C ATOM 171 O SER A 11 -10.575 7.637 -4.361 1.00 0.00 O ATOM 172 CB SER A 11 -9.108 4.761 -3.882 1.00 0.00 C ATOM 173 OG SER A 11 -9.856 4.667 -5.082 1.00 0.00 O ATOM 0 H SER A 11 -11.689 5.682 -3.256 1.00 0.00 H new ATOM 0 HA SER A 11 -8.974 6.000 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.056 4.923 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.171 3.820 -3.336 1.00 0.00 H new ATOM 0 HG SER A 11 -9.383 4.090 -5.718 1.00 0.00 H new ATOM 179 N GLU A 12 -8.416 7.856 -3.766 1.00 0.00 N ATOM 180 CA GLU A 12 -8.236 9.124 -4.463 1.00 0.00 C ATOM 181 C GLU A 12 -6.932 9.125 -5.254 1.00 0.00 C ATOM 182 O GLU A 12 -5.856 8.907 -4.698 1.00 0.00 O ATOM 183 CB GLU A 12 -8.246 10.285 -3.466 1.00 0.00 C ATOM 184 CG GLU A 12 -9.079 11.471 -3.923 1.00 0.00 C ATOM 185 CD GLU A 12 -10.496 11.430 -3.385 1.00 0.00 C ATOM 186 OE1 GLU A 12 -10.679 11.675 -2.175 1.00 0.00 O ATOM 187 OE2 GLU A 12 -11.422 11.152 -4.176 1.00 0.00 O ATOM 0 H GLU A 12 -7.583 7.518 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.064 9.250 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.630 9.929 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.221 10.615 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.598 12.394 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.108 11.491 -5.012 1.00 0.00 H new ATOM 194 N ASN A 13 -7.037 9.375 -6.554 1.00 0.00 N ATOM 195 CA ASN A 13 -5.877 9.409 -7.427 1.00 0.00 C ATOM 196 C ASN A 13 -5.149 8.063 -7.449 1.00 0.00 C ATOM 197 O ASN A 13 -4.018 7.960 -7.935 1.00 0.00 O ATOM 198 CB ASN A 13 -4.936 10.520 -6.983 1.00 0.00 C ATOM 199 CG ASN A 13 -5.185 11.823 -7.717 1.00 0.00 C ATOM 200 OD1 ASN A 13 -5.295 11.750 -9.039 1.00 0.00 O flip ATOM 201 ND2 ASN A 13 -5.279 12.886 -7.103 1.00 0.00 N flip ATOM 0 H ASN A 13 -7.922 9.558 -7.026 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.218 9.609 -8.443 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.052 10.683 -5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.905 10.206 -7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.188 12.898 -6.087 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.448 13.755 -7.610 1.00 0.00 H new ATOM 208 N TYR A 14 -5.804 7.021 -6.946 1.00 0.00 N ATOM 209 CA TYR A 14 -5.208 5.695 -6.944 1.00 0.00 C ATOM 210 C TYR A 14 -4.836 5.313 -8.372 1.00 0.00 C ATOM 211 O TYR A 14 -3.741 4.816 -8.633 1.00 0.00 O ATOM 212 CB TYR A 14 -6.182 4.679 -6.351 1.00 0.00 C ATOM 213 CG TYR A 14 -5.512 3.499 -5.680 1.00 0.00 C ATOM 214 CD1 TYR A 14 -4.389 2.901 -6.235 1.00 0.00 C ATOM 215 CD2 TYR A 14 -6.010 2.979 -4.491 1.00 0.00 C ATOM 216 CE1 TYR A 14 -3.780 1.820 -5.626 1.00 0.00 C ATOM 217 CE2 TYR A 14 -5.406 1.899 -3.876 1.00 0.00 C ATOM 218 CZ TYR A 14 -4.293 1.323 -4.448 1.00 0.00 C ATOM 219 OH TYR A 14 -3.689 0.247 -3.839 1.00 0.00 O ATOM 0 H TYR A 14 -6.738 7.070 -6.539 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.308 5.699 -6.328 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.818 5.183 -5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.833 4.311 -7.144 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.984 3.287 -7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.884 3.427 -4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.906 1.367 -6.071 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.805 1.508 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.157 -0.576 -4.090 1.00 0.00 H new ATOM 229 N ASP A 15 -5.749 5.593 -9.301 1.00 0.00 N ATOM 230 CA ASP A 15 -5.513 5.321 -10.714 1.00 0.00 C ATOM 231 C ASP A 15 -4.239 6.028 -11.163 1.00 0.00 C ATOM 232 O ASP A 15 -3.519 5.553 -12.038 1.00 0.00 O ATOM 233 CB ASP A 15 -6.696 5.804 -11.553 1.00 0.00 C ATOM 234 CG ASP A 15 -6.874 4.995 -12.823 1.00 0.00 C ATOM 235 OD1 ASP A 15 -5.988 5.065 -13.700 1.00 0.00 O ATOM 236 OD2 ASP A 15 -7.900 4.292 -12.941 1.00 0.00 O ATOM 0 H ASP A 15 -6.658 6.008 -9.098 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.402 4.246 -10.854 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.607 5.746 -10.958 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.550 6.853 -11.811 1.00 0.00 H new ATOM 241 N LYS A 16 -3.968 7.169 -10.537 1.00 0.00 N ATOM 242 CA LYS A 16 -2.781 7.956 -10.839 1.00 0.00 C ATOM 243 C LYS A 16 -1.534 7.099 -10.729 1.00 0.00 C ATOM 244 O LYS A 16 -0.641 7.164 -11.574 1.00 0.00 O ATOM 245 CB LYS A 16 -2.690 9.141 -9.875 1.00 0.00 C ATOM 246 CG LYS A 16 -2.009 10.364 -10.457 1.00 0.00 C ATOM 247 CD LYS A 16 -2.996 11.491 -10.678 1.00 0.00 C ATOM 248 CE LYS A 16 -2.531 12.437 -11.774 1.00 0.00 C ATOM 249 NZ LYS A 16 -2.860 13.855 -11.461 1.00 0.00 N ATOM 0 H LYS A 16 -4.562 7.571 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.855 8.328 -11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.696 9.415 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.149 8.828 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.218 10.697 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.534 10.103 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.969 11.077 -10.943 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.129 12.046 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.454 12.335 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.998 12.156 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.526 14.467 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.890 13.958 -11.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.394 14.132 -10.573 1.00 0.00 H new ATOM 263 N PHE A 17 -1.480 6.297 -9.678 1.00 0.00 N ATOM 264 CA PHE A 17 -0.337 5.423 -9.453 1.00 0.00 C ATOM 265 C PHE A 17 -0.337 4.274 -10.449 1.00 0.00 C ATOM 266 O PHE A 17 0.705 3.695 -10.745 1.00 0.00 O ATOM 267 CB PHE A 17 -0.331 4.911 -8.008 1.00 0.00 C ATOM 268 CG PHE A 17 0.005 5.991 -7.026 1.00 0.00 C ATOM 269 CD1 PHE A 17 -0.496 7.268 -7.216 1.00 0.00 C ATOM 270 CD2 PHE A 17 0.840 5.752 -5.938 1.00 0.00 C ATOM 271 CE1 PHE A 17 -0.177 8.291 -6.359 1.00 0.00 C ATOM 272 CE2 PHE A 17 1.157 6.778 -5.068 1.00 0.00 C ATOM 273 CZ PHE A 17 0.650 8.049 -5.283 1.00 0.00 C ATOM 0 H PHE A 17 -2.210 6.232 -8.969 1.00 0.00 H new ATOM 0 HA PHE A 17 0.577 5.996 -9.609 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.310 4.495 -7.768 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.391 4.100 -7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.149 7.462 -8.054 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.241 4.763 -5.773 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.572 9.282 -6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.800 6.589 -4.221 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.903 8.852 -4.606 1.00 0.00 H new ATOM 283 N MET A 18 -1.511 3.961 -10.979 1.00 0.00 N ATOM 284 CA MET A 18 -1.646 2.898 -11.960 1.00 0.00 C ATOM 285 C MET A 18 -1.014 3.307 -13.288 1.00 0.00 C ATOM 286 O MET A 18 -0.441 2.479 -13.995 1.00 0.00 O ATOM 287 CB MET A 18 -3.123 2.572 -12.176 1.00 0.00 C ATOM 288 CG MET A 18 -3.646 1.500 -11.245 1.00 0.00 C ATOM 289 SD MET A 18 -4.324 2.167 -9.714 1.00 0.00 S ATOM 290 CE MET A 18 -3.684 0.991 -8.524 1.00 0.00 C ATOM 0 H MET A 18 -2.385 4.431 -10.744 1.00 0.00 H new ATOM 0 HA MET A 18 -1.130 2.015 -11.583 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.711 3.479 -12.039 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.269 2.250 -13.207 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.418 0.926 -11.758 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.839 0.807 -11.007 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.480 0.694 -7.842 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.308 0.112 -9.047 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.874 1.451 -7.958 1.00 0.00 H new ATOM 300 N GLU A 19 -1.144 4.589 -13.631 1.00 0.00 N ATOM 301 CA GLU A 19 -0.607 5.098 -14.890 1.00 0.00 C ATOM 302 C GLU A 19 0.851 5.545 -14.772 1.00 0.00 C ATOM 303 O GLU A 19 1.724 5.016 -15.459 1.00 0.00 O ATOM 304 CB GLU A 19 -1.460 6.268 -15.389 1.00 0.00 C ATOM 305 CG GLU A 19 -2.955 6.056 -15.212 1.00 0.00 C ATOM 306 CD GLU A 19 -3.485 4.909 -16.048 1.00 0.00 C ATOM 307 OE1 GLU A 19 -3.335 3.744 -15.622 1.00 0.00 O ATOM 308 OE2 GLU A 19 -4.052 5.174 -17.129 1.00 0.00 O ATOM 0 H GLU A 19 -1.614 5.289 -13.057 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.640 4.275 -15.604 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.165 7.173 -14.858 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.249 6.435 -16.445 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.169 5.863 -14.161 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.482 6.971 -15.482 1.00 0.00 H new ATOM 315 N LYS A 20 1.111 6.531 -13.914 1.00 0.00 N ATOM 316 CA LYS A 20 2.463 7.049 -13.734 1.00 0.00 C ATOM 317 C LYS A 20 3.449 5.927 -13.430 1.00 0.00 C ATOM 318 O LYS A 20 4.519 5.850 -14.034 1.00 0.00 O ATOM 319 CB LYS A 20 2.483 8.091 -12.622 1.00 0.00 C ATOM 320 CG LYS A 20 3.853 8.700 -12.389 1.00 0.00 C ATOM 321 CD LYS A 20 4.013 10.045 -13.086 1.00 0.00 C ATOM 322 CE LYS A 20 5.458 10.286 -13.494 1.00 0.00 C ATOM 323 NZ LYS A 20 5.647 10.173 -14.967 1.00 0.00 N ATOM 0 H LYS A 20 0.404 6.985 -13.335 1.00 0.00 H new ATOM 0 HA LYS A 20 2.772 7.521 -14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.778 8.885 -12.866 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.137 7.630 -11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.015 8.826 -11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.619 8.013 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.373 10.079 -13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.682 10.843 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.768 11.277 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.102 9.566 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.645 10.344 -15.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.376 9.219 -15.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.052 10.877 -15.448 1.00 0.00 H new ATOM 337 N MET A 21 3.080 5.053 -12.503 1.00 0.00 N ATOM 338 CA MET A 21 3.935 3.932 -12.139 1.00 0.00 C ATOM 339 C MET A 21 3.853 2.839 -13.199 1.00 0.00 C ATOM 340 O MET A 21 4.804 2.083 -13.401 1.00 0.00 O ATOM 341 CB MET A 21 3.529 3.371 -10.777 1.00 0.00 C ATOM 342 CG MET A 21 4.556 2.424 -10.180 1.00 0.00 C ATOM 343 SD MET A 21 3.931 0.741 -10.021 1.00 0.00 S ATOM 344 CE MET A 21 2.711 0.958 -8.727 1.00 0.00 C ATOM 0 H MET A 21 2.199 5.098 -11.992 1.00 0.00 H new ATOM 0 HA MET A 21 4.963 4.288 -12.078 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.365 4.198 -10.087 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.579 2.847 -10.878 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.448 2.419 -10.806 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.857 2.791 -9.199 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.221 0.005 -8.525 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.201 1.313 -7.821 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.967 1.688 -9.047 1.00 0.00 H new ATOM 354 N GLY A 22 2.710 2.765 -13.875 1.00 0.00 N ATOM 355 CA GLY A 22 2.522 1.767 -14.909 1.00 0.00 C ATOM 356 C GLY A 22 2.362 0.371 -14.344 1.00 0.00 C ATOM 357 O GLY A 22 3.260 -0.461 -14.469 1.00 0.00 O ATOM 0 H GLY A 22 1.911 3.380 -13.724 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.641 2.020 -15.498 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.375 1.786 -15.587 1.00 0.00 H new ATOM 361 N VAL A 23 1.215 0.111 -13.726 1.00 0.00 N ATOM 362 CA VAL A 23 0.951 -1.203 -13.148 1.00 0.00 C ATOM 363 C VAL A 23 0.132 -2.063 -14.105 1.00 0.00 C ATOM 364 O VAL A 23 -0.204 -1.634 -15.208 1.00 0.00 O ATOM 365 CB VAL A 23 0.211 -1.107 -11.793 1.00 0.00 C ATOM 366 CG1 VAL A 23 0.907 -0.126 -10.861 1.00 0.00 C ATOM 367 CG2 VAL A 23 -1.246 -0.716 -11.991 1.00 0.00 C ATOM 0 H VAL A 23 0.459 0.786 -13.612 1.00 0.00 H new ATOM 0 HA VAL A 23 1.922 -1.667 -12.976 1.00 0.00 H new ATOM 0 HB VAL A 23 0.237 -2.094 -11.330 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.367 -0.077 -9.915 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.929 -0.460 -10.679 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.925 0.862 -11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.742 -0.656 -11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.298 0.254 -12.486 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.743 -1.465 -12.607 1.00 0.00 H new ATOM 377 N ASN A 24 -0.192 -3.276 -13.672 1.00 0.00 N ATOM 378 CA ASN A 24 -0.977 -4.191 -14.482 1.00 0.00 C ATOM 379 C ASN A 24 -2.426 -4.214 -14.006 1.00 0.00 C ATOM 380 O ASN A 24 -2.707 -4.542 -12.854 1.00 0.00 O ATOM 381 CB ASN A 24 -0.388 -5.605 -14.436 1.00 0.00 C ATOM 382 CG ASN A 24 0.534 -5.838 -13.252 1.00 0.00 C ATOM 383 OD1 ASN A 24 0.314 -5.306 -12.164 1.00 0.00 O ATOM 384 ND2 ASN A 24 1.575 -6.635 -13.461 1.00 0.00 N ATOM 0 H ASN A 24 0.079 -3.647 -12.761 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.948 -3.838 -15.513 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.202 -6.328 -14.400 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.163 -5.791 -15.358 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.230 -6.827 -12.703 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.719 -7.055 -14.379 1.00 0.00 H new ATOM 391 N ILE A 25 -3.340 -3.860 -14.902 1.00 0.00 N ATOM 392 CA ILE A 25 -4.761 -3.836 -14.581 1.00 0.00 C ATOM 393 C ILE A 25 -5.220 -5.178 -14.010 1.00 0.00 C ATOM 394 O ILE A 25 -6.125 -5.238 -13.178 1.00 0.00 O ATOM 395 CB ILE A 25 -5.601 -3.481 -15.832 1.00 0.00 C ATOM 396 CG1 ILE A 25 -6.941 -2.867 -15.425 1.00 0.00 C ATOM 397 CG2 ILE A 25 -5.816 -4.704 -16.715 1.00 0.00 C ATOM 398 CD1 ILE A 25 -7.846 -3.822 -14.681 1.00 0.00 C ATOM 0 H ILE A 25 -3.121 -3.585 -15.859 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.914 -3.067 -13.824 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.045 -2.743 -16.411 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.755 -1.994 -14.799 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.456 -2.515 -16.319 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.409 -4.424 -17.586 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.851 -5.091 -17.042 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.342 -5.473 -16.150 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.777 -3.316 -14.425 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.063 -4.684 -15.312 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.352 -4.155 -13.768 1.00 0.00 H new ATOM 410 N VAL A 26 -4.584 -6.251 -14.469 1.00 0.00 N ATOM 411 CA VAL A 26 -4.916 -7.599 -14.018 1.00 0.00 C ATOM 412 C VAL A 26 -4.941 -7.697 -12.496 1.00 0.00 C ATOM 413 O VAL A 26 -5.901 -8.202 -11.914 1.00 0.00 O ATOM 414 CB VAL A 26 -3.917 -8.635 -14.568 1.00 0.00 C ATOM 415 CG1 VAL A 26 -4.389 -10.048 -14.263 1.00 0.00 C ATOM 416 CG2 VAL A 26 -3.718 -8.442 -16.064 1.00 0.00 C ATOM 0 H VAL A 26 -3.832 -6.213 -15.157 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.913 -7.816 -14.403 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.957 -8.484 -14.074 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.670 -10.765 -14.659 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.474 -10.178 -13.184 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.361 -10.215 -14.727 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.009 -9.182 -16.435 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.672 -8.564 -16.577 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.330 -7.441 -16.253 1.00 0.00 H new ATOM 426 N LYS A 27 -3.884 -7.212 -11.854 1.00 0.00 N ATOM 427 CA LYS A 27 -3.794 -7.251 -10.400 1.00 0.00 C ATOM 428 C LYS A 27 -4.498 -6.048 -9.785 1.00 0.00 C ATOM 429 O LYS A 27 -5.058 -6.132 -8.692 1.00 0.00 O ATOM 430 CB LYS A 27 -2.328 -7.296 -9.955 1.00 0.00 C ATOM 431 CG LYS A 27 -1.619 -5.952 -10.026 1.00 0.00 C ATOM 432 CD LYS A 27 -1.664 -5.229 -8.690 1.00 0.00 C ATOM 433 CE LYS A 27 -0.527 -5.667 -7.780 1.00 0.00 C ATOM 434 NZ LYS A 27 -0.676 -7.083 -7.346 1.00 0.00 N ATOM 0 H LYS A 27 -3.080 -6.788 -12.317 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.291 -8.156 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.281 -7.667 -8.931 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.792 -8.012 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.582 -6.102 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.086 -5.333 -10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.605 -4.153 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.618 -5.425 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.422 -5.545 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.494 -5.020 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.080 -7.255 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.671 -7.270 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.381 -7.715 -8.117 1.00 0.00 H new ATOM 448 N ARG A 28 -4.466 -4.929 -10.499 1.00 0.00 N ATOM 449 CA ARG A 28 -5.101 -3.705 -10.032 1.00 0.00 C ATOM 450 C ARG A 28 -6.614 -3.877 -9.917 1.00 0.00 C ATOM 451 O ARG A 28 -7.274 -3.138 -9.190 1.00 0.00 O ATOM 452 CB ARG A 28 -4.779 -2.547 -10.970 1.00 0.00 C ATOM 453 CG ARG A 28 -5.262 -1.222 -10.442 1.00 0.00 C ATOM 454 CD ARG A 28 -6.530 -0.783 -11.130 1.00 0.00 C ATOM 455 NE ARG A 28 -6.277 -0.205 -12.447 1.00 0.00 N ATOM 456 CZ ARG A 28 -7.137 0.583 -13.089 1.00 0.00 C ATOM 457 NH1 ARG A 28 -8.306 0.888 -12.538 1.00 0.00 N ATOM 458 NH2 ARG A 28 -6.828 1.067 -14.284 1.00 0.00 N ATOM 0 H ARG A 28 -4.006 -4.845 -11.405 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.706 -3.482 -9.041 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.701 -2.500 -11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.235 -2.734 -11.942 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.437 -1.298 -9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.488 -0.468 -10.586 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.199 -1.638 -11.234 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.043 -0.050 -10.507 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.389 -0.417 -12.902 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.549 0.518 -11.619 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.961 1.492 -13.034 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.931 0.836 -14.712 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.487 1.671 -14.776 1.00 0.00 H new ATOM 472 N LYS A 29 -7.161 -4.854 -10.633 1.00 0.00 N ATOM 473 CA LYS A 29 -8.595 -5.114 -10.601 1.00 0.00 C ATOM 474 C LYS A 29 -9.112 -5.176 -9.167 1.00 0.00 C ATOM 475 O LYS A 29 -10.196 -4.677 -8.867 1.00 0.00 O ATOM 476 CB LYS A 29 -8.906 -6.422 -11.327 1.00 0.00 C ATOM 477 CG LYS A 29 -9.294 -6.223 -12.782 1.00 0.00 C ATOM 478 CD LYS A 29 -8.518 -7.150 -13.703 1.00 0.00 C ATOM 479 CE LYS A 29 -8.861 -6.899 -15.164 1.00 0.00 C ATOM 480 NZ LYS A 29 -9.950 -7.796 -15.640 1.00 0.00 N ATOM 0 H LYS A 29 -6.633 -5.478 -11.242 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.100 -4.292 -11.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.034 -7.074 -11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.717 -6.934 -10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.362 -6.402 -12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.111 -5.188 -13.069 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.449 -7.006 -13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.740 -8.187 -13.449 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.164 -5.860 -15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.972 -7.050 -15.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.154 -7.594 -16.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.651 -8.787 -15.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.806 -7.634 -15.072 1.00 0.00 H new ATOM 494 N LEU A 30 -8.330 -5.790 -8.285 1.00 0.00 N ATOM 495 CA LEU A 30 -8.710 -5.915 -6.886 1.00 0.00 C ATOM 496 C LEU A 30 -7.863 -4.999 -6.003 1.00 0.00 C ATOM 497 O LEU A 30 -8.189 -4.772 -4.839 1.00 0.00 O ATOM 498 CB LEU A 30 -8.558 -7.368 -6.437 1.00 0.00 C ATOM 499 CG LEU A 30 -9.035 -8.411 -7.451 1.00 0.00 C ATOM 500 CD1 LEU A 30 -8.250 -9.704 -7.298 1.00 0.00 C ATOM 501 CD2 LEU A 30 -10.526 -8.667 -7.293 1.00 0.00 C ATOM 0 H LEU A 30 -7.429 -6.208 -8.516 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.752 -5.613 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.508 -7.555 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.112 -7.506 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.859 -8.021 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.604 -10.433 -8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.191 -9.508 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.392 -10.099 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.847 -9.411 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.727 -9.035 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.074 -7.739 -7.457 1.00 0.00 H new ATOM 513 N ALA A 31 -6.774 -4.479 -6.561 1.00 0.00 N ATOM 514 CA ALA A 31 -5.881 -3.594 -5.823 1.00 0.00 C ATOM 515 C ALA A 31 -6.242 -2.124 -6.032 1.00 0.00 C ATOM 516 O ALA A 31 -5.762 -1.254 -5.305 1.00 0.00 O ATOM 517 CB ALA A 31 -4.438 -3.846 -6.232 1.00 0.00 C ATOM 0 H ALA A 31 -6.489 -4.656 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.997 -3.814 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.780 -3.179 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.174 -4.881 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.324 -3.658 -7.300 1.00 0.00 H new ATOM 523 N ALA A 32 -7.069 -1.845 -7.037 1.00 0.00 N ATOM 524 CA ALA A 32 -7.462 -0.471 -7.339 1.00 0.00 C ATOM 525 C ALA A 32 -8.077 0.225 -6.129 1.00 0.00 C ATOM 526 O ALA A 32 -7.707 1.354 -5.812 1.00 0.00 O ATOM 527 CB ALA A 32 -8.437 -0.444 -8.505 1.00 0.00 C ATOM 0 H ALA A 32 -7.478 -2.548 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.558 0.073 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.721 0.587 -8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.964 -0.880 -9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.326 -1.020 -8.249 1.00 0.00 H new ATOM 533 N HIS A 33 -9.012 -0.450 -5.454 1.00 0.00 N ATOM 534 CA HIS A 33 -9.675 0.111 -4.272 1.00 0.00 C ATOM 535 C HIS A 33 -10.994 -0.600 -3.983 1.00 0.00 C ATOM 536 O HIS A 33 -11.354 -0.814 -2.826 1.00 0.00 O ATOM 537 CB HIS A 33 -9.942 1.608 -4.452 1.00 0.00 C ATOM 538 CG HIS A 33 -10.504 1.958 -5.794 1.00 0.00 C ATOM 539 ND1 HIS A 33 -9.809 2.685 -6.738 1.00 0.00 N ATOM 540 CD2 HIS A 33 -11.704 1.674 -6.350 1.00 0.00 C ATOM 541 CE1 HIS A 33 -10.559 2.835 -7.815 1.00 0.00 C ATOM 542 NE2 HIS A 33 -11.713 2.230 -7.606 1.00 0.00 N ATOM 0 H HIS A 33 -9.328 -1.387 -5.706 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.001 -0.038 -3.428 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -10.635 1.941 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.011 2.155 -4.303 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -12.506 1.114 -5.892 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.276 3.363 -8.714 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.486 2.183 -8.270 1.00 0.00 H new ATOM 551 N ASP A 34 -11.718 -0.947 -5.041 1.00 0.00 N ATOM 552 CA ASP A 34 -13.007 -1.616 -4.902 1.00 0.00 C ATOM 553 C ASP A 34 -12.888 -2.907 -4.098 1.00 0.00 C ATOM 554 O ASP A 34 -13.553 -3.074 -3.075 1.00 0.00 O ATOM 555 CB ASP A 34 -13.599 -1.915 -6.280 1.00 0.00 C ATOM 556 CG ASP A 34 -14.460 -0.780 -6.799 1.00 0.00 C ATOM 557 OD1 ASP A 34 -15.546 -0.549 -6.227 1.00 0.00 O ATOM 558 OD2 ASP A 34 -14.047 -0.120 -7.776 1.00 0.00 O ATOM 0 H ASP A 34 -11.434 -0.776 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.671 -0.942 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.791 -2.106 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.197 -2.825 -6.226 1.00 0.00 H new ATOM 563 N ASN A 35 -12.047 -3.820 -4.568 1.00 0.00 N ATOM 564 CA ASN A 35 -11.854 -5.094 -3.895 1.00 0.00 C ATOM 565 C ASN A 35 -10.425 -5.235 -3.384 1.00 0.00 C ATOM 566 O ASN A 35 -9.769 -6.252 -3.612 1.00 0.00 O ATOM 567 CB ASN A 35 -12.190 -6.250 -4.839 1.00 0.00 C ATOM 568 CG ASN A 35 -13.563 -6.105 -5.465 1.00 0.00 C ATOM 569 OD1 ASN A 35 -14.552 -5.864 -4.772 1.00 0.00 O ATOM 570 ND2 ASN A 35 -13.631 -6.251 -6.783 1.00 0.00 N ATOM 0 H ASN A 35 -11.489 -3.700 -5.413 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.527 -5.126 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.438 -6.302 -5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.142 -7.190 -4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.528 -6.164 -7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.786 -6.450 -7.318 1.00 0.00 H new ATOM 577 N LEU A 36 -9.946 -4.208 -2.691 1.00 0.00 N ATOM 578 CA LEU A 36 -8.594 -4.220 -2.149 1.00 0.00 C ATOM 579 C LEU A 36 -8.608 -4.522 -0.655 1.00 0.00 C ATOM 580 O LEU A 36 -9.241 -3.814 0.128 1.00 0.00 O ATOM 581 CB LEU A 36 -7.905 -2.877 -2.409 1.00 0.00 C ATOM 582 CG LEU A 36 -6.485 -2.743 -1.848 1.00 0.00 C ATOM 583 CD1 LEU A 36 -6.524 -2.431 -0.360 1.00 0.00 C ATOM 584 CD2 LEU A 36 -5.679 -4.008 -2.109 1.00 0.00 C ATOM 0 H LEU A 36 -10.474 -3.358 -2.492 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.034 -5.009 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.869 -2.710 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.521 -2.084 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.994 -1.915 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.506 -2.340 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.057 -1.494 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.037 -3.235 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.675 -3.890 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.167 -4.856 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.617 -4.185 -3.183 1.00 0.00 H new ATOM 596 N LYS A 37 -7.898 -5.575 -0.270 1.00 0.00 N ATOM 597 CA LYS A 37 -7.815 -5.976 1.127 1.00 0.00 C ATOM 598 C LYS A 37 -6.395 -5.808 1.634 1.00 0.00 C ATOM 599 O LYS A 37 -5.467 -6.458 1.159 1.00 0.00 O ATOM 600 CB LYS A 37 -8.276 -7.426 1.295 1.00 0.00 C ATOM 601 CG LYS A 37 -7.896 -8.058 2.629 1.00 0.00 C ATOM 602 CD LYS A 37 -8.308 -7.185 3.802 1.00 0.00 C ATOM 603 CE LYS A 37 -9.804 -6.911 3.799 1.00 0.00 C ATOM 604 NZ LYS A 37 -10.594 -8.140 4.086 1.00 0.00 N ATOM 0 H LYS A 37 -7.370 -6.168 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.474 -5.337 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.360 -7.465 1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.852 -8.025 0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.372 -9.035 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.819 -8.224 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.029 -7.674 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.765 -6.241 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.035 -6.149 4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.098 -6.509 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.546 -7.873 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.668 -8.714 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.120 -8.692 4.829 1.00 0.00 H new ATOM 618 N LEU A 38 -6.247 -4.929 2.603 1.00 0.00 N ATOM 619 CA LEU A 38 -4.958 -4.650 3.202 1.00 0.00 C ATOM 620 C LEU A 38 -4.955 -5.173 4.637 1.00 0.00 C ATOM 621 O LEU A 38 -5.877 -4.906 5.397 1.00 0.00 O ATOM 622 CB LEU A 38 -4.702 -3.135 3.144 1.00 0.00 C ATOM 623 CG LEU A 38 -3.235 -2.689 2.963 1.00 0.00 C ATOM 624 CD1 LEU A 38 -2.470 -3.639 2.049 1.00 0.00 C ATOM 625 CD2 LEU A 38 -3.166 -1.271 2.403 1.00 0.00 C ATOM 0 H LEU A 38 -7.016 -4.388 2.998 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.156 -5.151 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.288 -2.722 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.083 -2.690 4.063 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.768 -2.709 3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.441 -3.294 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.475 -4.641 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.946 -3.663 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.123 -0.977 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.666 -1.237 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.660 -0.584 3.090 1.00 0.00 H new ATOM 637 N THR A 39 -3.947 -5.956 4.999 1.00 0.00 N ATOM 638 CA THR A 39 -3.890 -6.527 6.343 1.00 0.00 C ATOM 639 C THR A 39 -2.587 -6.175 7.048 1.00 0.00 C ATOM 640 O THR A 39 -1.608 -5.791 6.412 1.00 0.00 O ATOM 641 CB THR A 39 -4.060 -8.046 6.279 1.00 0.00 C ATOM 642 OG1 THR A 39 -5.283 -8.387 5.652 1.00 0.00 O ATOM 643 CG2 THR A 39 -4.042 -8.710 7.639 1.00 0.00 C ATOM 0 H THR A 39 -3.167 -6.209 4.392 1.00 0.00 H new ATOM 0 HA THR A 39 -4.708 -6.097 6.921 1.00 0.00 H new ATOM 0 HB THR A 39 -3.206 -8.407 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.127 -8.555 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.167 -9.786 7.520 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.090 -8.508 8.130 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.855 -8.315 8.248 1.00 0.00 H new ATOM 651 N ILE A 40 -2.590 -6.307 8.372 1.00 0.00 N ATOM 652 CA ILE A 40 -1.415 -6.002 9.178 1.00 0.00 C ATOM 653 C ILE A 40 -1.221 -7.032 10.289 1.00 0.00 C ATOM 654 O ILE A 40 -2.139 -7.307 11.062 1.00 0.00 O ATOM 655 CB ILE A 40 -1.520 -4.600 9.813 1.00 0.00 C ATOM 656 CG1 ILE A 40 -1.847 -3.553 8.745 1.00 0.00 C ATOM 657 CG2 ILE A 40 -0.227 -4.242 10.534 1.00 0.00 C ATOM 658 CD1 ILE A 40 -2.280 -2.223 9.318 1.00 0.00 C ATOM 0 H ILE A 40 -3.397 -6.624 8.909 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.557 -6.031 8.506 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.329 -4.612 10.544 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.970 -3.401 8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.638 -3.937 8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.319 -3.250 10.976 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.034 -4.972 11.320 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.599 -4.247 9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.496 -1.530 8.505 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.176 -2.362 9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.481 -1.817 9.939 1.00 0.00 H new ATOM 670 N THR A 41 -0.016 -7.586 10.370 1.00 0.00 N ATOM 671 CA THR A 41 0.310 -8.573 11.394 1.00 0.00 C ATOM 672 C THR A 41 1.495 -8.089 12.226 1.00 0.00 C ATOM 673 O THR A 41 1.963 -6.965 12.042 1.00 0.00 O ATOM 674 CB THR A 41 0.620 -9.927 10.756 1.00 0.00 C ATOM 675 OG1 THR A 41 -0.072 -10.071 9.529 1.00 0.00 O ATOM 676 CG2 THR A 41 0.245 -11.103 11.633 1.00 0.00 C ATOM 0 H THR A 41 0.753 -7.368 9.737 1.00 0.00 H new ATOM 0 HA THR A 41 -0.552 -8.696 12.049 1.00 0.00 H new ATOM 0 HB THR A 41 1.700 -9.936 10.606 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.240 -9.391 8.896 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.492 -12.033 11.120 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.798 -11.048 12.571 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.825 -11.076 11.840 1.00 0.00 H new ATOM 684 N GLN A 42 1.973 -8.920 13.149 1.00 0.00 N ATOM 685 CA GLN A 42 3.092 -8.523 13.999 1.00 0.00 C ATOM 686 C GLN A 42 4.111 -9.645 14.198 1.00 0.00 C ATOM 687 O GLN A 42 3.764 -10.764 14.575 1.00 0.00 O ATOM 688 CB GLN A 42 2.574 -8.054 15.360 1.00 0.00 C ATOM 689 CG GLN A 42 3.654 -7.463 16.251 1.00 0.00 C ATOM 690 CD GLN A 42 4.109 -8.425 17.331 1.00 0.00 C ATOM 691 OE1 GLN A 42 3.944 -9.639 17.207 1.00 0.00 O ATOM 692 NE2 GLN A 42 4.685 -7.885 18.399 1.00 0.00 N ATOM 0 H GLN A 42 1.610 -9.857 13.326 1.00 0.00 H new ATOM 0 HA GLN A 42 3.603 -7.707 13.488 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.794 -7.308 15.205 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.112 -8.897 15.874 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.510 -7.179 15.639 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.278 -6.552 16.716 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.801 -6.873 18.459 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.011 -8.482 19.159 1.00 0.00 H new ATOM 701 N GLU A 43 5.378 -9.308 13.968 1.00 0.00 N ATOM 702 CA GLU A 43 6.489 -10.240 14.143 1.00 0.00 C ATOM 703 C GLU A 43 7.765 -9.454 14.405 1.00 0.00 C ATOM 704 O GLU A 43 8.418 -8.987 13.474 1.00 0.00 O ATOM 705 CB GLU A 43 6.692 -11.141 12.917 1.00 0.00 C ATOM 706 CG GLU A 43 5.479 -11.271 12.011 1.00 0.00 C ATOM 707 CD GLU A 43 4.516 -12.346 12.474 1.00 0.00 C ATOM 708 OE1 GLU A 43 4.971 -13.311 13.123 1.00 0.00 O ATOM 709 OE2 GLU A 43 3.307 -12.223 12.187 1.00 0.00 O ATOM 0 H GLU A 43 5.663 -8.380 13.655 1.00 0.00 H new ATOM 0 HA GLU A 43 6.250 -10.884 14.989 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.525 -10.751 12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.981 -12.135 13.259 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.957 -10.315 11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.810 -11.498 10.998 1.00 0.00 H new ATOM 716 N GLY A 44 8.109 -9.288 15.673 1.00 0.00 N ATOM 717 CA GLY A 44 9.297 -8.528 16.008 1.00 0.00 C ATOM 718 C GLY A 44 9.205 -7.104 15.494 1.00 0.00 C ATOM 719 O GLY A 44 8.138 -6.493 15.552 1.00 0.00 O ATOM 0 H GLY A 44 7.593 -9.661 16.470 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.432 -8.518 17.090 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.174 -9.014 15.582 1.00 0.00 H new ATOM 723 N ASN A 45 10.306 -6.573 14.974 1.00 0.00 N ATOM 724 CA ASN A 45 10.300 -5.215 14.439 1.00 0.00 C ATOM 725 C ASN A 45 9.751 -5.193 13.015 1.00 0.00 C ATOM 726 O ASN A 45 9.686 -4.138 12.386 1.00 0.00 O ATOM 727 CB ASN A 45 11.704 -4.593 14.462 1.00 0.00 C ATOM 728 CG ASN A 45 12.817 -5.611 14.283 1.00 0.00 C ATOM 729 OD1 ASN A 45 12.657 -6.507 13.316 1.00 0.00 O flip ATOM 730 ND2 ASN A 45 13.812 -5.590 15.008 1.00 0.00 N flip ATOM 0 H ASN A 45 11.203 -7.054 14.911 1.00 0.00 H new ATOM 0 HA ASN A 45 9.650 -4.620 15.081 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.775 -3.845 13.672 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.847 -4.072 15.409 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.895 -4.884 15.740 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.553 -6.279 14.877 1.00 0.00 H new ATOM 737 N LYS A 46 9.353 -6.361 12.506 1.00 0.00 N ATOM 738 CA LYS A 46 8.813 -6.448 11.151 1.00 0.00 C ATOM 739 C LYS A 46 7.315 -6.726 11.178 1.00 0.00 C ATOM 740 O LYS A 46 6.820 -7.463 12.031 1.00 0.00 O ATOM 741 CB LYS A 46 9.618 -7.482 10.319 1.00 0.00 C ATOM 742 CG LYS A 46 8.836 -8.522 9.528 1.00 0.00 C ATOM 743 CD LYS A 46 7.946 -9.380 10.390 1.00 0.00 C ATOM 744 CE LYS A 46 6.512 -9.193 9.978 1.00 0.00 C ATOM 745 NZ LYS A 46 6.033 -10.293 9.097 1.00 0.00 N ATOM 0 H LYS A 46 9.394 -7.249 13.006 1.00 0.00 H new ATOM 0 HA LYS A 46 8.929 -5.486 10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.246 -6.932 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.286 -8.011 10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.227 -8.016 8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.536 -9.162 8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.229 -10.428 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.071 -9.112 11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.884 -9.142 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.406 -8.241 9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.878 -9.926 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.746 -11.050 9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.140 -10.673 9.470 1.00 0.00 H new ATOM 759 N PHE A 47 6.596 -6.104 10.249 1.00 0.00 N ATOM 760 CA PHE A 47 5.147 -6.257 10.164 1.00 0.00 C ATOM 761 C PHE A 47 4.753 -7.064 8.930 1.00 0.00 C ATOM 762 O PHE A 47 5.428 -7.017 7.903 1.00 0.00 O ATOM 763 CB PHE A 47 4.478 -4.883 10.115 1.00 0.00 C ATOM 764 CG PHE A 47 4.586 -4.092 11.393 1.00 0.00 C ATOM 765 CD1 PHE A 47 4.926 -4.704 12.591 1.00 0.00 C ATOM 766 CD2 PHE A 47 4.350 -2.728 11.389 1.00 0.00 C ATOM 767 CE1 PHE A 47 5.029 -3.967 13.756 1.00 0.00 C ATOM 768 CE2 PHE A 47 4.450 -1.988 12.552 1.00 0.00 C ATOM 769 CZ PHE A 47 4.790 -2.608 13.736 1.00 0.00 C ATOM 0 H PHE A 47 6.995 -5.487 9.542 1.00 0.00 H new ATOM 0 HA PHE A 47 4.810 -6.795 11.050 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.923 -4.305 9.305 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.424 -5.014 9.871 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.112 -5.768 12.614 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.084 -2.236 10.465 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.296 -4.455 14.682 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.262 -0.925 12.534 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.869 -2.031 14.646 1.00 0.00 H new ATOM 779 N THR A 48 3.668 -7.820 9.040 1.00 0.00 N ATOM 780 CA THR A 48 3.206 -8.645 7.931 1.00 0.00 C ATOM 781 C THR A 48 1.948 -8.063 7.302 1.00 0.00 C ATOM 782 O THR A 48 0.919 -7.920 7.962 1.00 0.00 O ATOM 783 CB THR A 48 2.937 -10.076 8.402 1.00 0.00 C ATOM 784 OG1 THR A 48 3.564 -10.322 9.648 1.00 0.00 O ATOM 785 CG2 THR A 48 3.424 -11.127 7.429 1.00 0.00 C ATOM 0 H THR A 48 3.094 -7.879 9.881 1.00 0.00 H new ATOM 0 HA THR A 48 3.994 -8.660 7.178 1.00 0.00 H new ATOM 0 HB THR A 48 1.853 -10.153 8.484 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.228 -11.162 10.023 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.202 -12.119 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.921 -10.997 6.471 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.500 -11.024 7.291 1.00 0.00 H new ATOM 793 N VAL A 49 2.033 -7.742 6.016 1.00 0.00 N ATOM 794 CA VAL A 49 0.894 -7.190 5.296 1.00 0.00 C ATOM 795 C VAL A 49 0.256 -8.255 4.417 1.00 0.00 C ATOM 796 O VAL A 49 0.844 -8.694 3.428 1.00 0.00 O ATOM 797 CB VAL A 49 1.272 -5.969 4.417 1.00 0.00 C ATOM 798 CG1 VAL A 49 0.593 -4.710 4.933 1.00 0.00 C ATOM 799 CG2 VAL A 49 2.781 -5.771 4.347 1.00 0.00 C ATOM 0 H VAL A 49 2.876 -7.854 5.453 1.00 0.00 H new ATOM 0 HA VAL A 49 0.188 -6.850 6.053 1.00 0.00 H new ATOM 0 HB VAL A 49 0.919 -6.170 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.870 -3.864 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.489 -4.843 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.911 -4.519 5.958 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.006 -4.906 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.173 -5.606 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.245 -6.659 3.918 1.00 0.00 H new ATOM 809 N LYS A 50 -0.949 -8.668 4.783 1.00 0.00 N ATOM 810 CA LYS A 50 -1.666 -9.685 4.025 1.00 0.00 C ATOM 811 C LYS A 50 -2.668 -9.040 3.077 1.00 0.00 C ATOM 812 O LYS A 50 -3.659 -8.452 3.510 1.00 0.00 O ATOM 813 CB LYS A 50 -2.381 -10.653 4.972 1.00 0.00 C ATOM 814 CG LYS A 50 -1.736 -12.028 5.036 1.00 0.00 C ATOM 815 CD LYS A 50 -2.769 -13.116 5.275 1.00 0.00 C ATOM 816 CE LYS A 50 -3.642 -13.336 4.050 1.00 0.00 C ATOM 817 NZ LYS A 50 -4.940 -12.615 4.156 1.00 0.00 N ATOM 0 H LYS A 50 -1.450 -8.316 5.598 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.941 -10.245 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.399 -10.222 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.418 -10.761 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.206 -12.226 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.995 -12.047 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.265 -14.047 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.395 -12.844 6.125 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.111 -12.998 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.828 -14.403 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.711 -13.240 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.101 -12.333 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.917 -11.768 3.553 1.00 0.00 H new ATOM 831 N GLU A 51 -2.403 -9.152 1.781 1.00 0.00 N ATOM 832 CA GLU A 51 -3.283 -8.576 0.775 1.00 0.00 C ATOM 833 C GLU A 51 -4.221 -9.635 0.205 1.00 0.00 C ATOM 834 O GLU A 51 -3.777 -10.625 -0.376 1.00 0.00 O ATOM 835 CB GLU A 51 -2.463 -7.937 -0.347 1.00 0.00 C ATOM 836 CG GLU A 51 -2.020 -6.515 -0.043 1.00 0.00 C ATOM 837 CD GLU A 51 -2.108 -5.606 -1.253 1.00 0.00 C ATOM 838 OE1 GLU A 51 -2.973 -5.853 -2.120 1.00 0.00 O ATOM 839 OE2 GLU A 51 -1.310 -4.648 -1.335 1.00 0.00 O ATOM 0 H GLU A 51 -1.588 -9.635 1.404 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.887 -7.804 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.582 -8.550 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.054 -7.937 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.638 -6.109 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.993 -6.529 0.323 1.00 0.00 H new ATOM 846 N SER A 52 -5.520 -9.420 0.380 1.00 0.00 N ATOM 847 CA SER A 52 -6.522 -10.357 -0.114 1.00 0.00 C ATOM 848 C SER A 52 -7.159 -9.847 -1.402 1.00 0.00 C ATOM 849 O SER A 52 -7.386 -8.646 -1.563 1.00 0.00 O ATOM 850 CB SER A 52 -7.601 -10.587 0.946 1.00 0.00 C ATOM 851 OG SER A 52 -8.084 -11.919 0.901 1.00 0.00 O ATOM 0 H SER A 52 -5.904 -8.606 0.860 1.00 0.00 H new ATOM 0 HA SER A 52 -6.024 -11.303 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.194 -10.378 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.426 -9.892 0.787 1.00 0.00 H new ATOM 0 HG SER A 52 -8.771 -12.041 1.589 1.00 0.00 H new ATOM 857 N SER A 53 -7.444 -10.768 -2.316 1.00 0.00 N ATOM 858 CA SER A 53 -8.057 -10.414 -3.591 1.00 0.00 C ATOM 859 C SER A 53 -8.937 -11.551 -4.104 1.00 0.00 C ATOM 860 O SER A 53 -8.646 -12.722 -3.866 1.00 0.00 O ATOM 861 CB SER A 53 -6.977 -10.079 -4.623 1.00 0.00 C ATOM 862 OG SER A 53 -5.702 -9.966 -4.014 1.00 0.00 O ATOM 0 H SER A 53 -7.261 -11.764 -2.198 1.00 0.00 H new ATOM 0 HA SER A 53 -8.684 -9.536 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.949 -10.854 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.227 -9.144 -5.125 1.00 0.00 H new ATOM 0 HG SER A 53 -5.199 -10.796 -4.152 1.00 0.00 H new ATOM 868 N ALA A 54 -10.010 -11.183 -4.811 1.00 0.00 N ATOM 869 CA ALA A 54 -10.967 -12.142 -5.384 1.00 0.00 C ATOM 870 C ALA A 54 -10.721 -13.579 -4.916 1.00 0.00 C ATOM 871 O ALA A 54 -11.294 -14.021 -3.920 1.00 0.00 O ATOM 872 CB ALA A 54 -10.936 -12.063 -6.904 1.00 0.00 C ATOM 0 H ALA A 54 -10.242 -10.209 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.957 -11.863 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.647 -12.776 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.205 -11.055 -7.222 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.934 -12.301 -7.260 1.00 0.00 H new ATOM 878 N PHE A 55 -9.868 -14.304 -5.638 1.00 0.00 N ATOM 879 CA PHE A 55 -9.557 -15.687 -5.290 1.00 0.00 C ATOM 880 C PHE A 55 -8.058 -15.879 -5.067 1.00 0.00 C ATOM 881 O PHE A 55 -7.643 -16.764 -4.318 1.00 0.00 O ATOM 882 CB PHE A 55 -10.043 -16.631 -6.391 1.00 0.00 C ATOM 883 CG PHE A 55 -9.589 -16.235 -7.767 1.00 0.00 C ATOM 884 CD1 PHE A 55 -8.251 -16.321 -8.120 1.00 0.00 C ATOM 885 CD2 PHE A 55 -10.498 -15.777 -8.706 1.00 0.00 C ATOM 886 CE1 PHE A 55 -7.830 -15.957 -9.385 1.00 0.00 C ATOM 887 CE2 PHE A 55 -10.083 -15.411 -9.972 1.00 0.00 C ATOM 888 CZ PHE A 55 -8.747 -15.502 -10.312 1.00 0.00 C ATOM 0 H PHE A 55 -9.382 -13.957 -6.465 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.073 -15.922 -4.359 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.688 -17.639 -6.177 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.132 -16.666 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.530 -16.676 -7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.544 -15.705 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -6.785 -16.028 -9.648 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.802 -15.054 -10.695 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.420 -15.218 -11.301 1.00 0.00 H new ATOM 898 N ARG A 56 -7.248 -15.049 -5.720 1.00 0.00 N ATOM 899 CA ARG A 56 -5.798 -15.137 -5.587 1.00 0.00 C ATOM 900 C ARG A 56 -5.364 -14.831 -4.157 1.00 0.00 C ATOM 901 O ARG A 56 -6.197 -14.587 -3.284 1.00 0.00 O ATOM 902 CB ARG A 56 -5.115 -14.172 -6.558 1.00 0.00 C ATOM 903 CG ARG A 56 -5.731 -12.781 -6.570 1.00 0.00 C ATOM 904 CD ARG A 56 -6.263 -12.417 -7.948 1.00 0.00 C ATOM 905 NE ARG A 56 -5.340 -11.554 -8.680 1.00 0.00 N ATOM 906 CZ ARG A 56 -5.460 -11.271 -9.976 1.00 0.00 C ATOM 907 NH1 ARG A 56 -6.461 -11.779 -10.684 1.00 0.00 N ATOM 908 NH2 ARG A 56 -4.576 -10.477 -10.564 1.00 0.00 N ATOM 0 H ARG A 56 -7.571 -14.310 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.497 -16.156 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.060 -14.091 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.161 -14.589 -7.564 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.541 -12.735 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.984 -12.049 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.440 -13.327 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.225 -11.914 -7.844 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.558 -11.144 -8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.144 -12.390 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.547 -11.558 -11.676 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.805 -10.084 -10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.667 -10.259 -11.556 1.00 0.00 H new ATOM 922 N ASN A 57 -4.056 -14.848 -3.924 1.00 0.00 N ATOM 923 CA ASN A 57 -3.515 -14.574 -2.598 1.00 0.00 C ATOM 924 C ASN A 57 -2.301 -13.654 -2.682 1.00 0.00 C ATOM 925 O ASN A 57 -1.340 -13.939 -3.397 1.00 0.00 O ATOM 926 CB ASN A 57 -3.131 -15.881 -1.902 1.00 0.00 C ATOM 927 CG ASN A 57 -3.415 -15.847 -0.413 1.00 0.00 C ATOM 928 OD1 ASN A 57 -2.986 -14.934 0.292 1.00 0.00 O ATOM 929 ND2 ASN A 57 -4.143 -16.846 0.074 1.00 0.00 N ATOM 0 H ASN A 57 -3.352 -15.048 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.288 -14.072 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.680 -16.706 -2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.071 -16.077 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.367 -16.876 1.069 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.478 -17.583 -0.547 1.00 0.00 H new ATOM 936 N ILE A 58 -2.352 -12.552 -1.941 1.00 0.00 N ATOM 937 CA ILE A 58 -1.258 -11.589 -1.924 1.00 0.00 C ATOM 938 C ILE A 58 -0.777 -11.342 -0.495 1.00 0.00 C ATOM 939 O ILE A 58 -1.562 -11.404 0.451 1.00 0.00 O ATOM 940 CB ILE A 58 -1.680 -10.248 -2.558 1.00 0.00 C ATOM 941 CG1 ILE A 58 -2.309 -10.480 -3.934 1.00 0.00 C ATOM 942 CG2 ILE A 58 -0.485 -9.312 -2.667 1.00 0.00 C ATOM 943 CD1 ILE A 58 -2.945 -9.238 -4.526 1.00 0.00 C ATOM 0 H ILE A 58 -3.141 -12.304 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.444 -12.014 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.425 -9.781 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.543 -10.847 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.064 -11.261 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.800 -8.370 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.080 -9.122 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.282 -9.772 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.370 -9.476 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.734 -8.882 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.189 -8.461 -4.640 1.00 0.00 H new ATOM 955 N GLU A 59 0.516 -11.070 -0.343 1.00 0.00 N ATOM 956 CA GLU A 59 1.095 -10.822 0.975 1.00 0.00 C ATOM 957 C GLU A 59 2.406 -10.048 0.863 1.00 0.00 C ATOM 958 O GLU A 59 3.015 -9.993 -0.205 1.00 0.00 O ATOM 959 CB GLU A 59 1.331 -12.146 1.704 1.00 0.00 C ATOM 960 CG GLU A 59 1.955 -11.981 3.080 1.00 0.00 C ATOM 961 CD GLU A 59 1.825 -13.228 3.933 1.00 0.00 C ATOM 962 OE1 GLU A 59 2.419 -14.263 3.564 1.00 0.00 O ATOM 963 OE2 GLU A 59 1.131 -13.168 4.969 1.00 0.00 O ATOM 0 H GLU A 59 1.182 -11.016 -1.114 1.00 0.00 H new ATOM 0 HA GLU A 59 0.390 -10.218 1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.380 -12.669 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.978 -12.776 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.010 -11.730 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.480 -11.144 3.592 1.00 0.00 H new ATOM 970 N VAL A 60 2.831 -9.448 1.975 1.00 0.00 N ATOM 971 CA VAL A 60 4.066 -8.670 2.003 1.00 0.00 C ATOM 972 C VAL A 60 4.580 -8.493 3.435 1.00 0.00 C ATOM 973 O VAL A 60 3.824 -8.612 4.398 1.00 0.00 O ATOM 974 CB VAL A 60 3.855 -7.276 1.358 1.00 0.00 C ATOM 975 CG1 VAL A 60 4.974 -6.309 1.730 1.00 0.00 C ATOM 976 CG2 VAL A 60 3.740 -7.401 -0.153 1.00 0.00 C ATOM 0 H VAL A 60 2.337 -9.487 2.867 1.00 0.00 H new ATOM 0 HA VAL A 60 4.809 -9.224 1.429 1.00 0.00 H new ATOM 0 HB VAL A 60 2.923 -6.869 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.791 -5.343 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.003 -6.186 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.928 -6.706 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.592 -6.413 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.654 -7.841 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.891 -8.038 -0.402 1.00 0.00 H new ATOM 986 N VAL A 61 5.868 -8.185 3.554 1.00 0.00 N ATOM 987 CA VAL A 61 6.501 -7.960 4.848 1.00 0.00 C ATOM 988 C VAL A 61 7.211 -6.607 4.845 1.00 0.00 C ATOM 989 O VAL A 61 7.715 -6.169 3.811 1.00 0.00 O ATOM 990 CB VAL A 61 7.508 -9.087 5.188 1.00 0.00 C ATOM 991 CG1 VAL A 61 8.613 -8.590 6.114 1.00 0.00 C ATOM 992 CG2 VAL A 61 6.783 -10.271 5.812 1.00 0.00 C ATOM 0 H VAL A 61 6.500 -8.085 2.759 1.00 0.00 H new ATOM 0 HA VAL A 61 5.724 -7.964 5.613 1.00 0.00 H new ATOM 0 HB VAL A 61 7.976 -9.408 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.301 -9.407 6.331 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.156 -7.778 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.174 -8.229 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.502 -11.056 6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.284 -9.951 6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.042 -10.655 5.110 1.00 0.00 H new ATOM 1002 N PHE A 62 7.259 -5.952 6.000 1.00 0.00 N ATOM 1003 CA PHE A 62 7.924 -4.658 6.107 1.00 0.00 C ATOM 1004 C PHE A 62 8.344 -4.383 7.530 1.00 0.00 C ATOM 1005 O PHE A 62 7.541 -4.430 8.461 1.00 0.00 O ATOM 1006 CB PHE A 62 7.062 -3.505 5.567 1.00 0.00 C ATOM 1007 CG PHE A 62 5.594 -3.545 5.922 1.00 0.00 C ATOM 1008 CD1 PHE A 62 5.097 -4.422 6.871 1.00 0.00 C ATOM 1009 CD2 PHE A 62 4.709 -2.685 5.291 1.00 0.00 C ATOM 1010 CE1 PHE A 62 3.750 -4.442 7.183 1.00 0.00 C ATOM 1011 CE2 PHE A 62 3.362 -2.700 5.598 1.00 0.00 C ATOM 1012 CZ PHE A 62 2.882 -3.580 6.546 1.00 0.00 C ATOM 0 H PHE A 62 6.849 -6.292 6.870 1.00 0.00 H new ATOM 0 HA PHE A 62 8.815 -4.712 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.477 -2.566 5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.151 -3.490 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.770 -5.100 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.078 -1.993 4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.378 -5.132 7.925 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.686 -2.024 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.830 -3.594 6.789 1.00 0.00 H new ATOM 1022 N GLU A 63 9.623 -4.110 7.681 1.00 0.00 N ATOM 1023 CA GLU A 63 10.195 -3.839 8.975 1.00 0.00 C ATOM 1024 C GLU A 63 10.540 -2.367 9.119 1.00 0.00 C ATOM 1025 O GLU A 63 10.987 -1.721 8.171 1.00 0.00 O ATOM 1026 CB GLU A 63 11.431 -4.706 9.161 1.00 0.00 C ATOM 1027 CG GLU A 63 11.764 -4.995 10.612 1.00 0.00 C ATOM 1028 CD GLU A 63 13.224 -5.348 10.815 1.00 0.00 C ATOM 1029 OE1 GLU A 63 13.608 -6.492 10.492 1.00 0.00 O ATOM 1030 OE2 GLU A 63 13.983 -4.482 11.298 1.00 0.00 O ATOM 0 H GLU A 63 10.290 -4.071 6.910 1.00 0.00 H new ATOM 0 HA GLU A 63 9.465 -4.079 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.283 -5.650 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.283 -4.212 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.517 -4.124 11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.142 -5.817 10.967 1.00 0.00 H new ATOM 1037 N LEU A 64 10.321 -1.847 10.315 1.00 0.00 N ATOM 1038 CA LEU A 64 10.594 -0.452 10.608 1.00 0.00 C ATOM 1039 C LEU A 64 12.066 -0.130 10.370 1.00 0.00 C ATOM 1040 O LEU A 64 12.929 -0.504 11.164 1.00 0.00 O ATOM 1041 CB LEU A 64 10.203 -0.161 12.053 1.00 0.00 C ATOM 1042 CG LEU A 64 8.786 -0.604 12.437 1.00 0.00 C ATOM 1043 CD1 LEU A 64 8.440 -0.115 13.833 1.00 0.00 C ATOM 1044 CD2 LEU A 64 7.770 -0.093 11.427 1.00 0.00 C ATOM 0 H LEU A 64 9.951 -2.376 11.105 1.00 0.00 H new ATOM 0 HA LEU A 64 10.006 0.180 9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.915 -0.656 12.714 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.294 0.911 12.231 1.00 0.00 H new ATOM 0 HG LEU A 64 8.753 -1.694 12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.431 -0.437 14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.148 -0.530 14.550 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.492 0.973 13.860 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.772 -0.419 11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.802 0.996 11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.007 -0.490 10.440 1.00 0.00 H new ATOM 1056 N GLY A 65 12.346 0.551 9.261 1.00 0.00 N ATOM 1057 CA GLY A 65 13.715 0.892 8.927 1.00 0.00 C ATOM 1058 C GLY A 65 14.310 -0.070 7.920 1.00 0.00 C ATOM 1059 O GLY A 65 15.527 -0.130 7.747 1.00 0.00 O ATOM 0 H GLY A 65 11.648 0.872 8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 65 13.749 1.904 8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.321 0.889 9.833 1.00 0.00 H new ATOM 1063 N VAL A 66 13.442 -0.822 7.250 1.00 0.00 N ATOM 1064 CA VAL A 66 13.871 -1.786 6.249 1.00 0.00 C ATOM 1065 C VAL A 66 13.057 -1.632 4.975 1.00 0.00 C ATOM 1066 O VAL A 66 11.829 -1.547 5.008 1.00 0.00 O ATOM 1067 CB VAL A 66 13.757 -3.227 6.774 1.00 0.00 C ATOM 1068 CG1 VAL A 66 14.308 -4.217 5.757 1.00 0.00 C ATOM 1069 CG2 VAL A 66 14.482 -3.356 8.104 1.00 0.00 C ATOM 0 H VAL A 66 12.432 -0.780 7.385 1.00 0.00 H new ATOM 0 HA VAL A 66 14.919 -1.586 6.027 1.00 0.00 H new ATOM 0 HB VAL A 66 12.704 -3.460 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.217 -5.230 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.744 -4.136 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.358 -3.995 5.565 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.396 -4.380 8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.534 -3.106 7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.036 -2.675 8.829 1.00 0.00 H new ATOM 1079 N THR A 67 13.764 -1.574 3.859 1.00 0.00 N ATOM 1080 CA THR A 67 13.153 -1.404 2.548 1.00 0.00 C ATOM 1081 C THR A 67 11.879 -2.235 2.375 1.00 0.00 C ATOM 1082 O THR A 67 11.795 -3.372 2.840 1.00 0.00 O ATOM 1083 CB THR A 67 14.178 -1.763 1.469 1.00 0.00 C ATOM 1084 OG1 THR A 67 15.131 -0.726 1.324 1.00 0.00 O ATOM 1085 CG2 THR A 67 13.573 -2.019 0.104 1.00 0.00 C ATOM 0 H THR A 67 14.781 -1.644 3.835 1.00 0.00 H new ATOM 0 HA THR A 67 12.853 -0.360 2.452 1.00 0.00 H new ATOM 0 HB THR A 67 14.637 -2.689 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.673 0.111 1.099 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.364 -2.267 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.870 -2.849 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.049 -1.125 -0.235 1.00 0.00 H new ATOM 1093 N PHE A 68 10.900 -1.657 1.675 1.00 0.00 N ATOM 1094 CA PHE A 68 9.640 -2.338 1.403 1.00 0.00 C ATOM 1095 C PHE A 68 9.825 -3.267 0.214 1.00 0.00 C ATOM 1096 O PHE A 68 10.670 -3.018 -0.647 1.00 0.00 O ATOM 1097 CB PHE A 68 8.524 -1.329 1.111 1.00 0.00 C ATOM 1098 CG PHE A 68 7.134 -1.772 1.515 1.00 0.00 C ATOM 1099 CD1 PHE A 68 6.912 -2.974 2.175 1.00 0.00 C ATOM 1100 CD2 PHE A 68 6.040 -0.970 1.228 1.00 0.00 C ATOM 1101 CE1 PHE A 68 5.635 -3.359 2.537 1.00 0.00 C ATOM 1102 CE2 PHE A 68 4.762 -1.352 1.586 1.00 0.00 C ATOM 1103 CZ PHE A 68 4.559 -2.547 2.242 1.00 0.00 C ATOM 0 H PHE A 68 10.960 -0.716 1.287 1.00 0.00 H new ATOM 0 HA PHE A 68 9.352 -2.914 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.755 -0.397 1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.523 -1.111 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.748 -3.616 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.190 -0.031 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.479 -4.296 3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.922 -0.715 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.561 -2.847 2.524 1.00 0.00 H new ATOM 1113 N ASN A 69 9.050 -4.339 0.174 1.00 0.00 N ATOM 1114 CA ASN A 69 9.159 -5.308 -0.911 1.00 0.00 C ATOM 1115 C ASN A 69 7.829 -5.520 -1.623 1.00 0.00 C ATOM 1116 O ASN A 69 6.854 -5.976 -1.027 1.00 0.00 O ATOM 1117 CB ASN A 69 9.675 -6.643 -0.372 1.00 0.00 C ATOM 1118 CG ASN A 69 8.919 -7.101 0.860 1.00 0.00 C ATOM 1119 OD1 ASN A 69 7.840 -7.684 0.759 1.00 0.00 O ATOM 1120 ND2 ASN A 69 9.484 -6.837 2.032 1.00 0.00 N ATOM 0 H ASN A 69 8.342 -4.562 0.874 1.00 0.00 H new ATOM 0 HA ASN A 69 9.865 -4.906 -1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.591 -7.402 -1.149 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.734 -6.549 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.022 -7.120 2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.380 -6.351 2.068 1.00 0.00 H new ATOM 1127 N TYR A 70 7.811 -5.202 -2.912 1.00 0.00 N ATOM 1128 CA TYR A 70 6.620 -5.370 -3.732 1.00 0.00 C ATOM 1129 C TYR A 70 7.004 -5.402 -5.206 1.00 0.00 C ATOM 1130 O TYR A 70 6.455 -4.663 -6.023 1.00 0.00 O ATOM 1131 CB TYR A 70 5.617 -4.245 -3.469 1.00 0.00 C ATOM 1132 CG TYR A 70 4.174 -4.683 -3.591 1.00 0.00 C ATOM 1133 CD1 TYR A 70 3.639 -5.044 -4.821 1.00 0.00 C ATOM 1134 CD2 TYR A 70 3.348 -4.737 -2.475 1.00 0.00 C ATOM 1135 CE1 TYR A 70 2.322 -5.447 -4.936 1.00 0.00 C ATOM 1136 CE2 TYR A 70 2.031 -5.140 -2.581 1.00 0.00 C ATOM 1137 CZ TYR A 70 1.523 -5.493 -3.813 1.00 0.00 C ATOM 1138 OH TYR A 70 0.211 -5.894 -3.924 1.00 0.00 O ATOM 0 H TYR A 70 8.615 -4.824 -3.414 1.00 0.00 H new ATOM 0 HA TYR A 70 6.147 -6.316 -3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.784 -3.846 -2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.802 -3.432 -4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.263 -5.009 -5.702 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.742 -4.459 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.921 -5.724 -5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.403 -5.178 -1.703 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.332 -5.426 -3.256 1.00 0.00 H new ATOM 1148 N ASN A 71 7.966 -6.260 -5.535 1.00 0.00 N ATOM 1149 CA ASN A 71 8.442 -6.387 -6.905 1.00 0.00 C ATOM 1150 C ASN A 71 8.123 -7.764 -7.480 1.00 0.00 C ATOM 1151 O ASN A 71 8.771 -8.754 -7.141 1.00 0.00 O ATOM 1152 CB ASN A 71 9.950 -6.137 -6.965 1.00 0.00 C ATOM 1153 CG ASN A 71 10.714 -6.963 -5.949 1.00 0.00 C ATOM 1154 OD1 ASN A 71 10.120 -7.643 -5.112 1.00 0.00 O ATOM 1155 ND2 ASN A 71 12.039 -6.908 -6.017 1.00 0.00 N ATOM 0 H ASN A 71 8.430 -6.877 -4.869 1.00 0.00 H new ATOM 0 HA ASN A 71 7.926 -5.639 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.314 -6.369 -7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.147 -5.079 -6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.606 -7.443 -5.359 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.490 -6.331 -6.727 1.00 0.00 H new ATOM 1162 N LEU A 72 7.126 -7.816 -8.357 1.00 0.00 N ATOM 1163 CA LEU A 72 6.726 -9.069 -8.988 1.00 0.00 C ATOM 1164 C LEU A 72 6.115 -8.815 -10.364 1.00 0.00 C ATOM 1165 O LEU A 72 5.653 -7.709 -10.659 1.00 0.00 O ATOM 1166 CB LEU A 72 5.732 -9.839 -8.105 1.00 0.00 C ATOM 1167 CG LEU A 72 4.920 -8.997 -7.112 1.00 0.00 C ATOM 1168 CD1 LEU A 72 5.768 -8.618 -5.908 1.00 0.00 C ATOM 1169 CD2 LEU A 72 4.362 -7.753 -7.788 1.00 0.00 C ATOM 0 H LEU A 72 6.580 -7.005 -8.647 1.00 0.00 H new ATOM 0 HA LEU A 72 7.622 -9.677 -9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.036 -10.370 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.284 -10.594 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 72 4.082 -9.600 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.173 -8.021 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.110 -9.522 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.630 -8.038 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.790 -7.172 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.183 -7.148 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.712 -8.047 -8.612 1.00 0.00 H new ATOM 1181 N ALA A 73 6.119 -9.846 -11.204 1.00 0.00 N ATOM 1182 CA ALA A 73 5.567 -9.741 -12.551 1.00 0.00 C ATOM 1183 C ALA A 73 4.132 -9.228 -12.517 1.00 0.00 C ATOM 1184 O ALA A 73 3.669 -8.585 -13.459 1.00 0.00 O ATOM 1185 CB ALA A 73 5.631 -11.089 -13.253 1.00 0.00 C ATOM 0 H ALA A 73 6.499 -10.765 -10.975 1.00 0.00 H new ATOM 0 HA ALA A 73 6.168 -9.024 -13.109 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.216 -10.997 -14.257 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.669 -11.416 -13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.054 -11.821 -12.688 1.00 0.00 H new ATOM 1191 N ASP A 74 3.434 -9.513 -11.423 1.00 0.00 N ATOM 1192 CA ASP A 74 2.053 -9.077 -11.262 1.00 0.00 C ATOM 1193 C ASP A 74 1.983 -7.799 -10.433 1.00 0.00 C ATOM 1194 O ASP A 74 1.000 -7.554 -9.734 1.00 0.00 O ATOM 1195 CB ASP A 74 1.222 -10.177 -10.598 1.00 0.00 C ATOM 1196 CG ASP A 74 0.873 -11.297 -11.557 1.00 0.00 C ATOM 1197 OD1 ASP A 74 -0.127 -11.159 -12.293 1.00 0.00 O ATOM 1198 OD2 ASP A 74 1.599 -12.313 -11.574 1.00 0.00 O ATOM 0 H ASP A 74 3.803 -10.044 -10.634 1.00 0.00 H new ATOM 0 HA ASP A 74 1.644 -8.872 -12.251 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.775 -10.586 -9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.304 -9.745 -10.200 1.00 0.00 H new ATOM 1203 N GLY A 75 3.034 -6.988 -10.514 1.00 0.00 N ATOM 1204 CA GLY A 75 3.070 -5.745 -9.765 1.00 0.00 C ATOM 1205 C GLY A 75 4.378 -4.995 -9.937 1.00 0.00 C ATOM 1206 O GLY A 75 4.854 -4.347 -9.006 1.00 0.00 O ATOM 0 H GLY A 75 3.860 -7.169 -11.084 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.246 -5.108 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.915 -5.958 -8.707 1.00 0.00 H new ATOM 1210 N THR A 76 4.959 -5.082 -11.132 1.00 0.00 N ATOM 1211 CA THR A 76 6.213 -4.409 -11.438 1.00 0.00 C ATOM 1212 C THR A 76 7.221 -4.576 -10.305 1.00 0.00 C ATOM 1213 O THR A 76 7.103 -5.485 -9.485 1.00 0.00 O ATOM 1214 CB THR A 76 5.957 -2.925 -11.716 1.00 0.00 C ATOM 1215 OG1 THR A 76 7.128 -2.299 -12.209 1.00 0.00 O ATOM 1216 CG2 THR A 76 5.502 -2.151 -10.498 1.00 0.00 C ATOM 0 H THR A 76 4.574 -5.619 -11.909 1.00 0.00 H new ATOM 0 HA THR A 76 6.639 -4.869 -12.330 1.00 0.00 H new ATOM 0 HB THR A 76 5.155 -2.907 -12.454 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.657 -2.949 -12.717 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.340 -1.108 -10.769 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.572 -2.577 -10.123 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.266 -2.210 -9.723 1.00 0.00 H new ATOM 1224 N GLU A 77 8.211 -3.696 -10.272 1.00 0.00 N ATOM 1225 CA GLU A 77 9.246 -3.742 -9.245 1.00 0.00 C ATOM 1226 C GLU A 77 9.301 -2.437 -8.455 1.00 0.00 C ATOM 1227 O GLU A 77 9.726 -1.406 -8.974 1.00 0.00 O ATOM 1228 CB GLU A 77 10.609 -4.023 -9.880 1.00 0.00 C ATOM 1229 CG GLU A 77 10.777 -5.459 -10.349 1.00 0.00 C ATOM 1230 CD GLU A 77 12.128 -6.039 -9.979 1.00 0.00 C ATOM 1231 OE1 GLU A 77 13.145 -5.583 -10.543 1.00 0.00 O ATOM 1232 OE2 GLU A 77 12.169 -6.951 -9.126 1.00 0.00 O ATOM 0 H GLU A 77 8.321 -2.938 -10.946 1.00 0.00 H new ATOM 0 HA GLU A 77 8.996 -4.548 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.750 -3.354 -10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.392 -3.792 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.990 -6.074 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.652 -5.501 -11.431 1.00 0.00 H new ATOM 1239 N LEU A 78 8.877 -2.490 -7.194 1.00 0.00 N ATOM 1240 CA LEU A 78 8.889 -1.313 -6.334 1.00 0.00 C ATOM 1241 C LEU A 78 9.666 -1.596 -5.049 1.00 0.00 C ATOM 1242 O LEU A 78 9.287 -2.461 -4.255 1.00 0.00 O ATOM 1243 CB LEU A 78 7.457 -0.869 -6.013 1.00 0.00 C ATOM 1244 CG LEU A 78 6.869 0.162 -6.986 1.00 0.00 C ATOM 1245 CD1 LEU A 78 5.535 -0.313 -7.534 1.00 0.00 C ATOM 1246 CD2 LEU A 78 6.701 1.519 -6.327 1.00 0.00 C ATOM 0 H LEU A 78 8.522 -3.335 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 78 9.389 -0.503 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.813 -1.748 -6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.438 -0.450 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 78 7.575 0.268 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.137 0.434 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.674 -1.256 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.835 -0.459 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.282 2.223 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.029 1.428 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.671 1.881 -5.987 1.00 0.00 H new ATOM 1258 N ARG A 79 10.764 -0.867 -4.865 1.00 0.00 N ATOM 1259 CA ARG A 79 11.619 -1.027 -3.691 1.00 0.00 C ATOM 1260 C ARG A 79 11.798 0.302 -2.958 1.00 0.00 C ATOM 1261 O ARG A 79 12.280 1.273 -3.536 1.00 0.00 O ATOM 1262 CB ARG A 79 12.986 -1.561 -4.121 1.00 0.00 C ATOM 1263 CG ARG A 79 13.572 -2.585 -3.163 1.00 0.00 C ATOM 1264 CD ARG A 79 15.039 -2.308 -2.875 1.00 0.00 C ATOM 1265 NE ARG A 79 15.916 -2.897 -3.885 1.00 0.00 N ATOM 1266 CZ ARG A 79 17.229 -3.047 -3.729 1.00 0.00 C ATOM 1267 NH1 ARG A 79 17.821 -2.655 -2.608 1.00 0.00 N ATOM 1268 NH2 ARG A 79 17.953 -3.593 -4.697 1.00 0.00 N ATOM 0 H ARG A 79 11.085 -0.154 -5.520 1.00 0.00 H new ATOM 0 HA ARG A 79 11.141 -1.734 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 79 12.895 -2.012 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.680 -0.725 -4.214 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.009 -2.574 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.466 -3.583 -3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.204 -1.231 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.297 -2.706 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 79 15.497 -3.211 -4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.269 -2.236 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.828 -2.773 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.503 -3.898 -5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.959 -3.708 -4.578 1.00 0.00 H new ATOM 1282 N GLY A 80 11.416 0.344 -1.683 1.00 0.00 N ATOM 1283 CA GLY A 80 11.558 1.575 -0.916 1.00 0.00 C ATOM 1284 C GLY A 80 11.917 1.324 0.538 1.00 0.00 C ATOM 1285 O GLY A 80 12.921 0.678 0.824 1.00 0.00 O ATOM 0 H GLY A 80 11.015 -0.442 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.328 2.196 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.625 2.137 -0.963 1.00 0.00 H new ATOM 1289 N THR A 81 11.089 1.834 1.456 1.00 0.00 N ATOM 1290 CA THR A 81 11.310 1.654 2.895 1.00 0.00 C ATOM 1291 C THR A 81 10.011 1.829 3.675 1.00 0.00 C ATOM 1292 O THR A 81 9.129 2.581 3.270 1.00 0.00 O ATOM 1293 CB THR A 81 12.350 2.642 3.429 1.00 0.00 C ATOM 1294 OG1 THR A 81 12.071 3.956 2.981 1.00 0.00 O ATOM 1295 CG2 THR A 81 13.768 2.309 3.022 1.00 0.00 C ATOM 0 H THR A 81 10.256 2.377 1.227 1.00 0.00 H new ATOM 0 HA THR A 81 11.681 0.639 3.034 1.00 0.00 H new ATOM 0 HB THR A 81 12.279 2.570 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.746 4.572 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.449 3.052 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.033 1.322 3.401 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.845 2.313 1.935 1.00 0.00 H new ATOM 1303 N TRP A 82 9.909 1.139 4.804 1.00 0.00 N ATOM 1304 CA TRP A 82 8.725 1.227 5.650 1.00 0.00 C ATOM 1305 C TRP A 82 9.122 1.556 7.085 1.00 0.00 C ATOM 1306 O TRP A 82 9.966 0.882 7.675 1.00 0.00 O ATOM 1307 CB TRP A 82 7.948 -0.090 5.612 1.00 0.00 C ATOM 1308 CG TRP A 82 6.464 0.095 5.687 1.00 0.00 C ATOM 1309 CD1 TRP A 82 5.623 0.407 4.658 1.00 0.00 C ATOM 1310 CD2 TRP A 82 5.645 -0.017 6.855 1.00 0.00 C ATOM 1311 NE1 TRP A 82 4.330 0.492 5.115 1.00 0.00 N ATOM 1312 CE2 TRP A 82 4.318 0.237 6.461 1.00 0.00 C ATOM 1313 CE3 TRP A 82 5.905 -0.309 8.197 1.00 0.00 C ATOM 1314 CZ2 TRP A 82 3.256 0.207 7.360 1.00 0.00 C ATOM 1315 CZ3 TRP A 82 4.850 -0.338 9.089 1.00 0.00 C ATOM 1316 CH2 TRP A 82 3.539 -0.082 8.667 1.00 0.00 C ATOM 0 H TRP A 82 10.632 0.512 5.155 1.00 0.00 H new ATOM 0 HA TRP A 82 8.087 2.025 5.270 1.00 0.00 H new ATOM 0 HB2 TRP A 82 8.195 -0.623 4.694 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.271 -0.718 6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.929 0.564 3.634 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.512 0.709 4.545 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.913 -0.508 8.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.244 0.405 7.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 5.039 -0.562 10.128 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.735 -0.113 9.388 1.00 0.00 H new ATOM 1327 N SER A 83 8.515 2.599 7.639 1.00 0.00 N ATOM 1328 CA SER A 83 8.813 3.016 9.004 1.00 0.00 C ATOM 1329 C SER A 83 7.561 3.533 9.702 1.00 0.00 C ATOM 1330 O SER A 83 6.664 4.083 9.063 1.00 0.00 O ATOM 1331 CB SER A 83 9.896 4.098 9.002 1.00 0.00 C ATOM 1332 OG SER A 83 11.148 3.567 9.398 1.00 0.00 O ATOM 0 H SER A 83 7.815 3.170 7.165 1.00 0.00 H new ATOM 0 HA SER A 83 9.177 2.147 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.980 4.531 8.005 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.610 4.905 9.677 1.00 0.00 H new ATOM 0 HG SER A 83 11.823 4.277 9.387 1.00 0.00 H new ATOM 1338 N LEU A 84 7.506 3.351 11.016 1.00 0.00 N ATOM 1339 CA LEU A 84 6.362 3.799 11.801 1.00 0.00 C ATOM 1340 C LEU A 84 6.791 4.802 12.865 1.00 0.00 C ATOM 1341 O LEU A 84 7.730 4.558 13.623 1.00 0.00 O ATOM 1342 CB LEU A 84 5.668 2.606 12.457 1.00 0.00 C ATOM 1343 CG LEU A 84 4.143 2.707 12.533 1.00 0.00 C ATOM 1344 CD1 LEU A 84 3.499 1.383 12.153 1.00 0.00 C ATOM 1345 CD2 LEU A 84 3.705 3.135 13.925 1.00 0.00 C ATOM 0 H LEU A 84 8.240 2.897 11.560 1.00 0.00 H new ATOM 0 HA LEU A 84 5.661 4.291 11.127 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.930 1.704 11.905 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.060 2.487 13.467 1.00 0.00 H new ATOM 0 HG LEU A 84 3.814 3.464 11.821 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.415 1.475 12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.785 1.118 11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.835 0.605 12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.618 3.201 13.960 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.047 2.402 14.656 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.136 4.109 14.159 1.00 0.00 H new ATOM 1357 N GLU A 85 6.093 5.930 12.916 1.00 0.00 N ATOM 1358 CA GLU A 85 6.394 6.974 13.888 1.00 0.00 C ATOM 1359 C GLU A 85 5.194 7.229 14.793 1.00 0.00 C ATOM 1360 O GLU A 85 4.257 7.932 14.415 1.00 0.00 O ATOM 1361 CB GLU A 85 6.794 8.266 13.174 1.00 0.00 C ATOM 1362 CG GLU A 85 8.025 8.119 12.295 1.00 0.00 C ATOM 1363 CD GLU A 85 8.954 9.314 12.389 1.00 0.00 C ATOM 1364 OE1 GLU A 85 9.746 9.376 13.352 1.00 0.00 O ATOM 1365 OE2 GLU A 85 8.889 10.188 11.499 1.00 0.00 O ATOM 0 H GLU A 85 5.313 6.145 12.295 1.00 0.00 H new ATOM 0 HA GLU A 85 7.228 6.637 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.959 8.606 12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.980 9.040 13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.567 7.218 12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.714 7.986 11.259 1.00 0.00 H new ATOM 1372 N GLY A 86 5.226 6.649 15.988 1.00 0.00 N ATOM 1373 CA GLY A 86 4.133 6.824 16.924 1.00 0.00 C ATOM 1374 C GLY A 86 2.918 6.001 16.551 1.00 0.00 C ATOM 1375 O GLY A 86 2.913 4.781 16.710 1.00 0.00 O ATOM 0 H GLY A 86 5.989 6.061 16.324 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.466 6.544 17.924 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.857 7.878 16.963 1.00 0.00 H new ATOM 1379 N ASN A 87 1.884 6.670 16.056 1.00 0.00 N ATOM 1380 CA ASN A 87 0.657 5.991 15.661 1.00 0.00 C ATOM 1381 C ASN A 87 0.425 6.095 14.155 1.00 0.00 C ATOM 1382 O ASN A 87 -0.700 5.939 13.681 1.00 0.00 O ATOM 1383 CB ASN A 87 -0.539 6.579 16.412 1.00 0.00 C ATOM 1384 CG ASN A 87 -0.286 6.692 17.903 1.00 0.00 C ATOM 1385 OD1 ASN A 87 -0.048 7.781 18.423 1.00 0.00 O ATOM 1386 ND2 ASN A 87 -0.336 5.562 18.599 1.00 0.00 N ATOM 0 H ASN A 87 1.871 7.681 15.919 1.00 0.00 H new ATOM 0 HA ASN A 87 0.762 4.937 15.918 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.768 7.566 16.009 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.415 5.954 16.241 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -0.174 5.576 19.606 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.537 4.681 18.127 1.00 0.00 H new ATOM 1393 N LYS A 88 1.492 6.362 13.405 1.00 0.00 N ATOM 1394 CA LYS A 88 1.389 6.486 11.954 1.00 0.00 C ATOM 1395 C LYS A 88 2.517 5.734 11.255 1.00 0.00 C ATOM 1396 O LYS A 88 3.645 5.684 11.747 1.00 0.00 O ATOM 1397 CB LYS A 88 1.413 7.961 11.543 1.00 0.00 C ATOM 1398 CG LYS A 88 2.430 8.792 12.307 1.00 0.00 C ATOM 1399 CD LYS A 88 2.155 10.280 12.163 1.00 0.00 C ATOM 1400 CE LYS A 88 3.444 11.084 12.125 1.00 0.00 C ATOM 1401 NZ LYS A 88 3.358 12.229 11.177 1.00 0.00 N ATOM 0 H LYS A 88 2.433 6.496 13.776 1.00 0.00 H new ATOM 0 HA LYS A 88 0.441 6.044 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.629 8.028 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.421 8.387 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.407 8.517 13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.432 8.569 11.941 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.586 10.459 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.538 10.619 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.669 11.457 13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.269 10.433 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.257 12.751 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.169 11.873 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.588 12.864 11.468 1.00 0.00 H new ATOM 1415 N LEU A 89 2.203 5.150 10.102 1.00 0.00 N ATOM 1416 CA LEU A 89 3.185 4.399 9.326 1.00 0.00 C ATOM 1417 C LEU A 89 3.467 5.091 7.997 1.00 0.00 C ATOM 1418 O LEU A 89 2.556 5.614 7.355 1.00 0.00 O ATOM 1419 CB LEU A 89 2.681 2.977 9.072 1.00 0.00 C ATOM 1420 CG LEU A 89 1.463 2.880 8.150 1.00 0.00 C ATOM 1421 CD1 LEU A 89 1.898 2.849 6.692 1.00 0.00 C ATOM 1422 CD2 LEU A 89 0.630 1.651 8.490 1.00 0.00 C ATOM 0 H LEU A 89 1.273 5.183 9.684 1.00 0.00 H new ATOM 0 HA LEU A 89 4.111 4.355 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.493 2.391 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.431 2.519 10.029 1.00 0.00 H new ATOM 0 HG LEU A 89 0.844 3.764 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.019 2.780 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.448 3.760 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.540 1.984 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.231 1.600 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.238 0.754 8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.287 1.718 9.522 1.00 0.00 H new ATOM 1434 N ILE A 90 4.732 5.094 7.587 1.00 0.00 N ATOM 1435 CA ILE A 90 5.120 5.728 6.331 1.00 0.00 C ATOM 1436 C ILE A 90 5.935 4.782 5.453 1.00 0.00 C ATOM 1437 O ILE A 90 7.151 4.666 5.608 1.00 0.00 O ATOM 1438 CB ILE A 90 5.938 7.013 6.569 1.00 0.00 C ATOM 1439 CG1 ILE A 90 5.409 7.773 7.789 1.00 0.00 C ATOM 1440 CG2 ILE A 90 5.897 7.896 5.330 1.00 0.00 C ATOM 1441 CD1 ILE A 90 6.305 7.660 9.004 1.00 0.00 C ATOM 0 H ILE A 90 5.502 4.667 8.103 1.00 0.00 H new ATOM 0 HA ILE A 90 4.192 5.984 5.820 1.00 0.00 H new ATOM 0 HB ILE A 90 6.973 6.735 6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.292 8.825 7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.418 7.395 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.478 8.801 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.320 7.355 4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.864 8.165 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.870 8.222 9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.402 6.612 9.289 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.290 8.064 8.769 1.00 0.00 H new ATOM 1453 N GLY A 91 5.256 4.118 4.524 1.00 0.00 N ATOM 1454 CA GLY A 91 5.925 3.200 3.622 1.00 0.00 C ATOM 1455 C GLY A 91 6.515 3.912 2.421 1.00 0.00 C ATOM 1456 O GLY A 91 6.210 5.079 2.175 1.00 0.00 O ATOM 0 H GLY A 91 4.250 4.200 4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.717 2.677 4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.217 2.444 3.283 1.00 0.00 H new ATOM 1460 N LYS A 92 7.366 3.218 1.677 1.00 0.00 N ATOM 1461 CA LYS A 92 8.002 3.805 0.505 1.00 0.00 C ATOM 1462 C LYS A 92 8.390 2.738 -0.512 1.00 0.00 C ATOM 1463 O LYS A 92 8.628 1.583 -0.159 1.00 0.00 O ATOM 1464 CB LYS A 92 9.253 4.586 0.924 1.00 0.00 C ATOM 1465 CG LYS A 92 9.046 6.089 0.981 1.00 0.00 C ATOM 1466 CD LYS A 92 8.919 6.583 2.413 1.00 0.00 C ATOM 1467 CE LYS A 92 7.906 7.710 2.524 1.00 0.00 C ATOM 1468 NZ LYS A 92 8.177 8.588 3.695 1.00 0.00 N ATOM 0 H LYS A 92 7.631 2.251 1.863 1.00 0.00 H new ATOM 0 HA LYS A 92 7.283 4.478 0.039 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.577 4.236 1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.059 4.366 0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.883 6.591 0.495 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.148 6.355 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.619 5.758 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.890 6.929 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.925 8.306 1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.904 7.290 2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.400 9.270 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.252 8.007 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.069 9.101 3.545 1.00 0.00 H new ATOM 1482 N PHE A 93 8.486 3.147 -1.773 1.00 0.00 N ATOM 1483 CA PHE A 93 8.888 2.247 -2.847 1.00 0.00 C ATOM 1484 C PHE A 93 9.709 2.996 -3.887 1.00 0.00 C ATOM 1485 O PHE A 93 9.792 4.224 -3.872 1.00 0.00 O ATOM 1486 CB PHE A 93 7.694 1.620 -3.570 1.00 0.00 C ATOM 1487 CG PHE A 93 6.919 0.596 -2.791 1.00 0.00 C ATOM 1488 CD1 PHE A 93 7.432 -0.679 -2.612 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.665 0.890 -2.271 1.00 0.00 C ATOM 1490 CE1 PHE A 93 6.715 -1.641 -1.932 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.947 -0.070 -1.583 1.00 0.00 C ATOM 1492 CZ PHE A 93 5.472 -1.337 -1.417 1.00 0.00 C ATOM 0 H PHE A 93 8.290 4.101 -2.077 1.00 0.00 H new ATOM 0 HA PHE A 93 9.471 1.457 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.012 2.418 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.053 1.154 -4.488 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.406 -0.922 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.248 1.877 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.126 -2.631 -1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.976 0.170 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.909 -2.089 -0.884 1.00 0.00 H new ATOM 1502 N LYS A 94 10.278 2.239 -4.813 1.00 0.00 N ATOM 1503 CA LYS A 94 11.059 2.803 -5.902 1.00 0.00 C ATOM 1504 C LYS A 94 11.012 1.881 -7.112 1.00 0.00 C ATOM 1505 O LYS A 94 11.236 0.677 -6.997 1.00 0.00 O ATOM 1506 CB LYS A 94 12.510 3.045 -5.495 1.00 0.00 C ATOM 1507 CG LYS A 94 13.167 4.154 -6.285 1.00 0.00 C ATOM 1508 CD LYS A 94 13.521 5.343 -5.411 1.00 0.00 C ATOM 1509 CE LYS A 94 14.979 5.716 -5.577 1.00 0.00 C ATOM 1510 NZ LYS A 94 15.498 6.483 -4.412 1.00 0.00 N ATOM 0 H LYS A 94 10.212 1.221 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 94 10.618 3.767 -6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.548 3.291 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.078 2.124 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.070 3.773 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.497 4.477 -7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.891 6.193 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.318 5.106 -4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.572 4.810 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 94 15.100 6.309 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.499 6.717 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.950 7.360 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.408 5.908 -3.550 1.00 0.00 H new ATOM 1524 N ARG A 95 10.716 2.453 -8.270 1.00 0.00 N ATOM 1525 CA ARG A 95 10.633 1.678 -9.502 1.00 0.00 C ATOM 1526 C ARG A 95 12.018 1.323 -10.018 1.00 0.00 C ATOM 1527 O ARG A 95 12.945 2.131 -9.956 1.00 0.00 O ATOM 1528 CB ARG A 95 9.861 2.447 -10.574 1.00 0.00 C ATOM 1529 CG ARG A 95 8.388 2.079 -10.646 1.00 0.00 C ATOM 1530 CD ARG A 95 7.915 1.950 -12.085 1.00 0.00 C ATOM 1531 NE ARG A 95 8.516 0.802 -12.759 1.00 0.00 N ATOM 1532 CZ ARG A 95 8.191 0.409 -13.988 1.00 0.00 C ATOM 1533 NH1 ARG A 95 7.273 1.071 -14.682 1.00 0.00 N ATOM 1534 NH2 ARG A 95 8.786 -0.646 -14.526 1.00 0.00 N ATOM 0 H ARG A 95 10.529 3.449 -8.384 1.00 0.00 H new ATOM 0 HA ARG A 95 10.099 0.755 -9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.951 3.515 -10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.321 2.261 -11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.221 1.138 -10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.797 2.839 -10.134 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.829 1.853 -12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.162 2.861 -12.631 1.00 0.00 H new ATOM 0 HE ARG A 95 9.227 0.270 -12.258 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.813 1.885 -14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.027 0.766 -15.624 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.493 -1.157 -13.998 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.537 -0.947 -15.468 1.00 0.00 H new ATOM 1548 N THR A 96 12.142 0.105 -10.527 1.00 0.00 N ATOM 1549 CA THR A 96 13.405 -0.382 -11.062 1.00 0.00 C ATOM 1550 C THR A 96 13.751 0.316 -12.379 1.00 0.00 C ATOM 1551 O THR A 96 14.915 0.369 -12.776 1.00 0.00 O ATOM 1552 CB THR A 96 13.324 -1.902 -11.248 1.00 0.00 C ATOM 1553 OG1 THR A 96 14.050 -2.567 -10.229 1.00 0.00 O ATOM 1554 CG2 THR A 96 13.850 -2.402 -12.580 1.00 0.00 C ATOM 0 H THR A 96 11.377 -0.568 -10.580 1.00 0.00 H new ATOM 0 HA THR A 96 14.203 -0.152 -10.356 1.00 0.00 H new ATOM 0 HB THR A 96 12.258 -2.127 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.833 -3.523 -10.243 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.754 -3.487 -12.625 1.00 0.00 H new ATOM 0 HG22 THR A 96 13.275 -1.953 -13.390 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.899 -2.126 -12.684 1.00 0.00 H new ATOM 1562 N ASP A 97 12.733 0.849 -13.051 1.00 0.00 N ATOM 1563 CA ASP A 97 12.930 1.541 -14.323 1.00 0.00 C ATOM 1564 C ASP A 97 14.033 2.593 -14.213 1.00 0.00 C ATOM 1565 O ASP A 97 14.855 2.742 -15.117 1.00 0.00 O ATOM 1566 CB ASP A 97 11.624 2.199 -14.773 1.00 0.00 C ATOM 1567 CG ASP A 97 11.756 2.891 -16.117 1.00 0.00 C ATOM 1568 OD1 ASP A 97 12.241 4.041 -16.147 1.00 0.00 O ATOM 1569 OD2 ASP A 97 11.375 2.281 -17.138 1.00 0.00 O ATOM 0 H ASP A 97 11.763 0.815 -12.736 1.00 0.00 H new ATOM 0 HA ASP A 97 13.235 0.803 -15.065 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.841 1.443 -14.833 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.309 2.925 -14.023 1.00 0.00 H new ATOM 1574 N ASN A 98 14.043 3.317 -13.100 1.00 0.00 N ATOM 1575 CA ASN A 98 15.042 4.354 -12.868 1.00 0.00 C ATOM 1576 C ASN A 98 14.948 4.882 -11.441 1.00 0.00 C ATOM 1577 O ASN A 98 15.149 6.070 -11.191 1.00 0.00 O ATOM 1578 CB ASN A 98 14.858 5.502 -13.863 1.00 0.00 C ATOM 1579 CG ASN A 98 16.156 6.232 -14.149 1.00 0.00 C ATOM 1580 OD1 ASN A 98 16.282 7.426 -13.880 1.00 0.00 O ATOM 1581 ND2 ASN A 98 17.129 5.515 -14.699 1.00 0.00 N ATOM 0 H ASN A 98 13.369 3.205 -12.342 1.00 0.00 H new ATOM 0 HA ASN A 98 16.029 3.915 -13.012 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.452 5.110 -14.795 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.127 6.207 -13.469 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.025 5.952 -14.915 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.981 4.527 -14.905 1.00 0.00 H new ATOM 1588 N GLY A 99 14.637 3.986 -10.509 1.00 0.00 N ATOM 1589 CA GLY A 99 14.514 4.366 -9.116 1.00 0.00 C ATOM 1590 C GLY A 99 13.625 5.577 -8.915 1.00 0.00 C ATOM 1591 O GLY A 99 14.078 6.615 -8.434 1.00 0.00 O ATOM 0 H GLY A 99 14.467 2.998 -10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.111 3.527 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.504 4.577 -8.713 1.00 0.00 H new ATOM 1595 N ASN A 100 12.353 5.442 -9.276 1.00 0.00 N ATOM 1596 CA ASN A 100 11.401 6.536 -9.121 1.00 0.00 C ATOM 1597 C ASN A 100 10.930 6.627 -7.673 1.00 0.00 C ATOM 1598 O ASN A 100 10.583 5.622 -7.057 1.00 0.00 O ATOM 1599 CB ASN A 100 10.209 6.349 -10.061 1.00 0.00 C ATOM 1600 CG ASN A 100 10.558 6.660 -11.504 1.00 0.00 C ATOM 1601 OD1 ASN A 100 9.543 6.957 -12.307 1.00 0.00 O flip ATOM 1602 ND2 ASN A 100 11.726 6.633 -11.892 1.00 0.00 N flip ATOM 0 H ASN A 100 11.959 4.590 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 100 11.901 7.469 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.851 5.322 -9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 100 9.392 6.995 -9.740 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.475 6.400 -11.240 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.945 6.844 -12.866 1.00 0.00 H new ATOM 1609 N GLU A 101 10.939 7.836 -7.136 1.00 0.00 N ATOM 1610 CA GLU A 101 10.536 8.075 -5.758 1.00 0.00 C ATOM 1611 C GLU A 101 9.056 7.809 -5.555 1.00 0.00 C ATOM 1612 O GLU A 101 8.214 8.264 -6.330 1.00 0.00 O ATOM 1613 CB GLU A 101 10.871 9.509 -5.352 1.00 0.00 C ATOM 1614 CG GLU A 101 12.337 9.852 -5.537 1.00 0.00 C ATOM 1615 CD GLU A 101 12.613 11.337 -5.400 1.00 0.00 C ATOM 1616 OE1 GLU A 101 12.526 12.054 -6.419 1.00 0.00 O ATOM 1617 OE2 GLU A 101 12.915 11.782 -4.273 1.00 0.00 O ATOM 0 H GLU A 101 11.224 8.676 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 101 11.090 7.382 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.266 10.198 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.598 9.658 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.929 9.307 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.663 9.515 -6.521 1.00 0.00 H new ATOM 1624 N LEU A 102 8.757 7.063 -4.503 1.00 0.00 N ATOM 1625 CA LEU A 102 7.386 6.713 -4.169 1.00 0.00 C ATOM 1626 C LEU A 102 7.179 6.756 -2.657 1.00 0.00 C ATOM 1627 O LEU A 102 7.728 5.935 -1.923 1.00 0.00 O ATOM 1628 CB LEU A 102 7.074 5.323 -4.718 1.00 0.00 C ATOM 1629 CG LEU A 102 5.585 4.965 -4.813 1.00 0.00 C ATOM 1630 CD1 LEU A 102 5.262 4.344 -6.165 1.00 0.00 C ATOM 1631 CD2 LEU A 102 5.189 4.025 -3.682 1.00 0.00 C ATOM 0 H LEU A 102 9.453 6.685 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 102 6.707 7.436 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.514 5.238 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.567 4.584 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 102 5.007 5.884 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.201 4.099 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.504 5.052 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.850 3.436 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.130 3.782 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 102 5.778 3.110 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 102 5.376 4.510 -2.724 1.00 0.00 H new ATOM 1643 N ASN A 103 6.396 7.729 -2.197 1.00 0.00 N ATOM 1644 CA ASN A 103 6.133 7.888 -0.773 1.00 0.00 C ATOM 1645 C ASN A 103 4.735 7.413 -0.408 1.00 0.00 C ATOM 1646 O ASN A 103 3.804 7.493 -1.210 1.00 0.00 O ATOM 1647 CB ASN A 103 6.304 9.351 -0.351 1.00 0.00 C ATOM 1648 CG ASN A 103 7.407 10.059 -1.116 1.00 0.00 C ATOM 1649 OD1 ASN A 103 8.289 9.421 -1.690 1.00 0.00 O ATOM 1650 ND2 ASN A 103 7.363 11.387 -1.126 1.00 0.00 N ATOM 0 H ASN A 103 5.934 8.418 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 103 6.857 7.272 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.364 9.881 -0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.523 9.393 0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 103 8.079 11.917 -1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 103 6.614 11.876 -0.637 1.00 0.00 H new ATOM 1657 N THR A 104 4.601 6.928 0.818 1.00 0.00 N ATOM 1658 CA THR A 104 3.324 6.444 1.324 1.00 0.00 C ATOM 1659 C THR A 104 3.152 6.841 2.785 1.00 0.00 C ATOM 1660 O THR A 104 3.931 6.429 3.644 1.00 0.00 O ATOM 1661 CB THR A 104 3.226 4.922 1.180 1.00 0.00 C ATOM 1662 OG1 THR A 104 3.833 4.273 2.282 1.00 0.00 O ATOM 1663 CG2 THR A 104 3.876 4.390 -0.080 1.00 0.00 C ATOM 0 H THR A 104 5.368 6.859 1.486 1.00 0.00 H new ATOM 0 HA THR A 104 2.528 6.900 0.735 1.00 0.00 H new ATOM 0 HB THR A 104 2.158 4.709 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.154 3.772 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.768 3.306 -0.115 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.394 4.831 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.935 4.649 -0.081 1.00 0.00 H new ATOM 1671 N VAL A 105 2.135 7.648 3.060 1.00 0.00 N ATOM 1672 CA VAL A 105 1.873 8.102 4.419 1.00 0.00 C ATOM 1673 C VAL A 105 0.462 7.739 4.861 1.00 0.00 C ATOM 1674 O VAL A 105 -0.518 8.090 4.204 1.00 0.00 O ATOM 1675 CB VAL A 105 2.067 9.624 4.551 1.00 0.00 C ATOM 1676 CG1 VAL A 105 2.032 10.041 6.013 1.00 0.00 C ATOM 1677 CG2 VAL A 105 3.372 10.054 3.895 1.00 0.00 C ATOM 0 H VAL A 105 1.480 8.001 2.362 1.00 0.00 H new ATOM 0 HA VAL A 105 2.591 7.595 5.063 1.00 0.00 H new ATOM 0 HB VAL A 105 1.247 10.124 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.171 11.120 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.070 9.768 6.446 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.831 9.534 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.493 11.132 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.207 9.548 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.352 9.790 2.838 1.00 0.00 H new ATOM 1687 N ARG A 106 0.369 7.031 5.981 1.00 0.00 N ATOM 1688 CA ARG A 106 -0.918 6.615 6.520 1.00 0.00 C ATOM 1689 C ARG A 106 -1.072 7.084 7.963 1.00 0.00 C ATOM 1690 O ARG A 106 -0.320 6.669 8.845 1.00 0.00 O ATOM 1691 CB ARG A 106 -1.051 5.091 6.437 1.00 0.00 C ATOM 1692 CG ARG A 106 -2.279 4.539 7.141 1.00 0.00 C ATOM 1693 CD ARG A 106 -2.249 3.020 7.199 1.00 0.00 C ATOM 1694 NE ARG A 106 -3.129 2.417 6.201 1.00 0.00 N ATOM 1695 CZ ARG A 106 -3.217 1.106 5.986 1.00 0.00 C ATOM 1696 NH1 ARG A 106 -2.483 0.259 6.696 1.00 0.00 N ATOM 1697 NH2 ARG A 106 -4.042 0.641 5.058 1.00 0.00 N ATOM 0 H ARG A 106 1.173 6.733 6.534 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.710 7.072 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.083 4.796 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.161 4.635 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.333 4.942 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.178 4.867 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.229 2.671 7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.548 2.689 8.194 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.710 3.036 5.636 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.847 0.611 7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.555 -0.744 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.609 1.288 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.110 -0.363 4.893 1.00 0.00 H new ATOM 1711 N GLU A 107 -2.050 7.953 8.196 1.00 0.00 N ATOM 1712 CA GLU A 107 -2.301 8.482 9.532 1.00 0.00 C ATOM 1713 C GLU A 107 -3.620 7.954 10.084 1.00 0.00 C ATOM 1714 O GLU A 107 -4.509 7.566 9.327 1.00 0.00 O ATOM 1715 CB GLU A 107 -2.326 10.013 9.506 1.00 0.00 C ATOM 1716 CG GLU A 107 -1.355 10.628 8.509 1.00 0.00 C ATOM 1717 CD GLU A 107 -0.627 11.833 9.071 1.00 0.00 C ATOM 1718 OE1 GLU A 107 -0.060 11.721 10.178 1.00 0.00 O ATOM 1719 OE2 GLU A 107 -0.624 12.889 8.405 1.00 0.00 O ATOM 0 H GLU A 107 -2.682 8.306 7.477 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.492 8.151 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.336 10.346 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.094 10.388 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.626 9.876 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.899 10.923 7.612 1.00 0.00 H new ATOM 1726 N ILE A 108 -3.742 7.946 11.407 1.00 0.00 N ATOM 1727 CA ILE A 108 -4.956 7.469 12.055 1.00 0.00 C ATOM 1728 C ILE A 108 -5.936 8.614 12.274 1.00 0.00 C ATOM 1729 O ILE A 108 -5.851 9.339 13.265 1.00 0.00 O ATOM 1730 CB ILE A 108 -4.658 6.797 13.412 1.00 0.00 C ATOM 1731 CG1 ILE A 108 -3.440 5.868 13.304 1.00 0.00 C ATOM 1732 CG2 ILE A 108 -5.880 6.034 13.906 1.00 0.00 C ATOM 1733 CD1 ILE A 108 -3.736 4.532 12.653 1.00 0.00 C ATOM 0 H ILE A 108 -3.016 8.264 12.049 1.00 0.00 H new ATOM 0 HA ILE A 108 -5.397 6.727 11.389 1.00 0.00 H new ATOM 0 HB ILE A 108 -4.423 7.575 14.138 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.661 6.373 12.733 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.041 5.693 14.303 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.654 5.566 14.864 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.715 6.724 14.027 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.147 5.265 13.181 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.824 3.936 12.615 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -4.491 4.003 13.234 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -4.106 4.695 11.641 1.00 0.00 H new ATOM 1745 N ILE A 109 -6.867 8.771 11.340 1.00 0.00 N ATOM 1746 CA ILE A 109 -7.865 9.826 11.424 1.00 0.00 C ATOM 1747 C ILE A 109 -9.043 9.381 12.276 1.00 0.00 C ATOM 1748 O ILE A 109 -10.190 9.337 11.827 1.00 0.00 O ATOM 1749 CB ILE A 109 -8.354 10.234 10.022 1.00 0.00 C ATOM 1750 CG1 ILE A 109 -9.018 11.611 10.062 1.00 0.00 C ATOM 1751 CG2 ILE A 109 -9.310 9.186 9.475 1.00 0.00 C ATOM 1752 CD1 ILE A 109 -8.176 12.671 10.740 1.00 0.00 C ATOM 0 H ILE A 109 -6.950 8.178 10.514 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.398 10.692 11.893 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.493 10.296 9.356 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.236 11.929 9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.973 11.530 10.582 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.649 9.485 8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.798 8.226 9.409 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.169 9.095 10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.710 13.621 10.731 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.979 12.375 11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.231 12.781 10.207 1.00 0.00 H new ATOM 1764 N GLY A 110 -8.749 9.040 13.507 1.00 0.00 N ATOM 1765 CA GLY A 110 -9.782 8.592 14.396 1.00 0.00 C ATOM 1766 C GLY A 110 -10.056 7.117 14.241 1.00 0.00 C ATOM 1767 O GLY A 110 -9.138 6.297 14.268 1.00 0.00 O ATOM 0 H GLY A 110 -7.812 9.065 13.909 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.491 8.801 15.425 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.696 9.153 14.203 1.00 0.00 H new ATOM 1771 N ASP A 111 -11.320 6.783 14.063 1.00 0.00 N ATOM 1772 CA ASP A 111 -11.722 5.396 13.884 1.00 0.00 C ATOM 1773 C ASP A 111 -11.358 4.897 12.484 1.00 0.00 C ATOM 1774 O ASP A 111 -11.534 3.718 12.176 1.00 0.00 O ATOM 1775 CB ASP A 111 -13.226 5.245 14.117 1.00 0.00 C ATOM 1776 CG ASP A 111 -13.589 3.888 14.689 1.00 0.00 C ATOM 1777 OD1 ASP A 111 -13.698 2.923 13.903 1.00 0.00 O ATOM 1778 OD2 ASP A 111 -13.763 3.791 15.922 1.00 0.00 O ATOM 0 H ASP A 111 -12.089 7.453 14.038 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.185 4.792 14.615 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.566 6.026 14.798 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.754 5.392 13.175 1.00 0.00 H new ATOM 1783 N GLU A 112 -10.851 5.795 11.636 1.00 0.00 N ATOM 1784 CA GLU A 112 -10.473 5.427 10.277 1.00 0.00 C ATOM 1785 C GLU A 112 -9.052 5.875 9.963 1.00 0.00 C ATOM 1786 O GLU A 112 -8.396 6.523 10.779 1.00 0.00 O ATOM 1787 CB GLU A 112 -11.443 6.047 9.273 1.00 0.00 C ATOM 1788 CG GLU A 112 -12.901 5.819 9.624 1.00 0.00 C ATOM 1789 CD GLU A 112 -13.851 6.464 8.634 1.00 0.00 C ATOM 1790 OE1 GLU A 112 -13.386 6.896 7.558 1.00 0.00 O ATOM 1791 OE2 GLU A 112 -15.061 6.539 8.935 1.00 0.00 O ATOM 0 H GLU A 112 -10.695 6.776 11.868 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.517 4.341 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.255 7.119 9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.246 5.632 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.097 4.748 9.664 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.097 6.216 10.620 1.00 0.00 H new ATOM 1798 N LEU A 113 -8.584 5.523 8.772 1.00 0.00 N ATOM 1799 CA LEU A 113 -7.240 5.887 8.340 1.00 0.00 C ATOM 1800 C LEU A 113 -7.271 6.705 7.055 1.00 0.00 C ATOM 1801 O LEU A 113 -8.049 6.424 6.143 1.00 0.00 O ATOM 1802 CB LEU A 113 -6.386 4.635 8.127 1.00 0.00 C ATOM 1803 CG LEU A 113 -5.668 4.104 9.370 1.00 0.00 C ATOM 1804 CD1 LEU A 113 -4.354 4.840 9.581 1.00 0.00 C ATOM 1805 CD2 LEU A 113 -6.560 4.216 10.600 1.00 0.00 C ATOM 0 H LEU A 113 -9.116 4.985 8.087 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.799 6.497 9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.025 3.844 7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.639 4.852 7.363 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.446 3.048 9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.857 4.450 10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.712 4.695 8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.550 5.904 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.029 3.833 11.471 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.822 5.261 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.469 3.635 10.445 1.00 0.00 H new ATOM 1817 N VAL A 114 -6.397 7.699 6.981 1.00 0.00 N ATOM 1818 CA VAL A 114 -6.292 8.544 5.796 1.00 0.00 C ATOM 1819 C VAL A 114 -4.930 8.331 5.144 1.00 0.00 C ATOM 1820 O VAL A 114 -3.902 8.744 5.681 1.00 0.00 O ATOM 1821 CB VAL A 114 -6.481 10.038 6.138 1.00 0.00 C ATOM 1822 CG1 VAL A 114 -5.535 10.463 7.253 1.00 0.00 C ATOM 1823 CG2 VAL A 114 -6.286 10.904 4.901 1.00 0.00 C ATOM 0 H VAL A 114 -5.748 7.942 7.729 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.087 8.261 5.106 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.503 10.178 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.687 11.519 7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.736 9.871 8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.504 10.304 6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -6.424 11.952 5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.279 10.758 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -7.015 10.623 4.141 1.00 0.00 H new ATOM 1833 N GLN A 115 -4.927 7.657 4.000 1.00 0.00 N ATOM 1834 CA GLN A 115 -3.686 7.357 3.297 1.00 0.00 C ATOM 1835 C GLN A 115 -3.349 8.408 2.245 1.00 0.00 C ATOM 1836 O GLN A 115 -4.220 8.891 1.521 1.00 0.00 O ATOM 1837 CB GLN A 115 -3.772 5.978 2.642 1.00 0.00 C ATOM 1838 CG GLN A 115 -4.343 4.903 3.555 1.00 0.00 C ATOM 1839 CD GLN A 115 -5.258 3.940 2.823 1.00 0.00 C ATOM 1840 OE1 GLN A 115 -6.481 4.016 2.942 1.00 0.00 O ATOM 1841 NE2 GLN A 115 -4.669 3.025 2.062 1.00 0.00 N ATOM 0 H GLN A 115 -5.768 7.309 3.540 1.00 0.00 H new ATOM 0 HA GLN A 115 -2.886 7.365 4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -4.390 6.048 1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -2.776 5.676 2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -3.524 4.345 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -4.895 5.377 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -3.652 2.998 1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -5.234 2.349 1.547 1.00 0.00 H new ATOM 1850 N THR A 116 -2.064 8.735 2.163 1.00 0.00 N ATOM 1851 CA THR A 116 -1.563 9.707 1.199 1.00 0.00 C ATOM 1852 C THR A 116 -0.268 9.191 0.585 1.00 0.00 C ATOM 1853 O THR A 116 0.742 9.051 1.274 1.00 0.00 O ATOM 1854 CB THR A 116 -1.323 11.060 1.872 1.00 0.00 C ATOM 1855 OG1 THR A 116 -1.929 11.102 3.152 1.00 0.00 O ATOM 1856 CG2 THR A 116 -1.855 12.231 1.075 1.00 0.00 C ATOM 0 H THR A 116 -1.342 8.334 2.762 1.00 0.00 H new ATOM 0 HA THR A 116 -2.308 9.843 0.415 1.00 0.00 H new ATOM 0 HB THR A 116 -0.239 11.153 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.762 11.975 3.565 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.651 13.158 1.610 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.367 12.260 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.931 12.120 0.939 1.00 0.00 H new ATOM 1864 N TYR A 117 -0.304 8.898 -0.708 1.00 0.00 N ATOM 1865 CA TYR A 117 0.866 8.385 -1.402 1.00 0.00 C ATOM 1866 C TYR A 117 1.313 9.352 -2.486 1.00 0.00 C ATOM 1867 O TYR A 117 0.529 10.179 -2.950 1.00 0.00 O ATOM 1868 CB TYR A 117 0.557 7.024 -2.029 1.00 0.00 C ATOM 1869 CG TYR A 117 -0.184 6.071 -1.115 1.00 0.00 C ATOM 1870 CD1 TYR A 117 -1.540 6.231 -0.851 1.00 0.00 C ATOM 1871 CD2 TYR A 117 0.476 5.005 -0.520 1.00 0.00 C ATOM 1872 CE1 TYR A 117 -2.213 5.357 -0.020 1.00 0.00 C ATOM 1873 CE2 TYR A 117 -0.190 4.126 0.312 1.00 0.00 C ATOM 1874 CZ TYR A 117 -1.534 4.306 0.559 1.00 0.00 C ATOM 1875 OH TYR A 117 -2.200 3.433 1.387 1.00 0.00 O ATOM 0 H TYR A 117 -1.131 9.007 -1.296 1.00 0.00 H new ATOM 0 HA TYR A 117 1.669 8.273 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.035 7.179 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.493 6.559 -2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -2.076 7.052 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.529 4.860 -0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -3.266 5.496 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.340 3.302 0.767 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.577 2.750 1.711 1.00 0.00 H new ATOM 1885 N VAL A 118 2.570 9.232 -2.900 1.00 0.00 N ATOM 1886 CA VAL A 118 3.109 10.083 -3.944 1.00 0.00 C ATOM 1887 C VAL A 118 4.214 9.365 -4.717 1.00 0.00 C ATOM 1888 O VAL A 118 5.030 8.659 -4.131 1.00 0.00 O ATOM 1889 CB VAL A 118 3.660 11.402 -3.373 1.00 0.00 C ATOM 1890 CG1 VAL A 118 4.879 11.152 -2.496 1.00 0.00 C ATOM 1891 CG2 VAL A 118 3.996 12.355 -4.504 1.00 0.00 C ATOM 0 H VAL A 118 3.232 8.552 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 118 2.287 10.314 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 118 2.892 11.856 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.247 12.101 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.603 10.501 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.661 10.675 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 118 4.385 13.286 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.748 11.902 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.097 12.563 -5.084 1.00 0.00 H new ATOM 1901 N TYR A 119 4.238 9.553 -6.032 1.00 0.00 N ATOM 1902 CA TYR A 119 5.250 8.926 -6.875 1.00 0.00 C ATOM 1903 C TYR A 119 5.460 9.733 -8.152 1.00 0.00 C ATOM 1904 O TYR A 119 4.638 9.699 -9.067 1.00 0.00 O ATOM 1905 CB TYR A 119 4.863 7.478 -7.199 1.00 0.00 C ATOM 1906 CG TYR A 119 5.587 6.887 -8.391 1.00 0.00 C ATOM 1907 CD1 TYR A 119 5.107 7.060 -9.682 1.00 0.00 C ATOM 1908 CD2 TYR A 119 6.748 6.150 -8.221 1.00 0.00 C ATOM 1909 CE1 TYR A 119 5.767 6.512 -10.766 1.00 0.00 C ATOM 1910 CE2 TYR A 119 7.413 5.601 -9.296 1.00 0.00 C ATOM 1911 CZ TYR A 119 6.918 5.783 -10.568 1.00 0.00 C ATOM 1912 OH TYR A 119 7.578 5.239 -11.646 1.00 0.00 O ATOM 0 H TYR A 119 3.569 10.134 -6.537 1.00 0.00 H new ATOM 0 HA TYR A 119 6.192 8.909 -6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 119 5.062 6.858 -6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 119 3.790 7.435 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 119 4.204 7.631 -9.842 1.00 0.00 H new ATOM 0 HD2 TYR A 119 7.140 6.003 -7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 119 5.381 6.655 -11.765 1.00 0.00 H new ATOM 0 HE2 TYR A 119 8.317 5.031 -9.142 1.00 0.00 H new ATOM 0 HH TYR A 119 8.086 5.940 -12.106 1.00 0.00 H new ATOM 1922 N GLU A 120 6.573 10.459 -8.192 1.00 0.00 N ATOM 1923 CA GLU A 120 6.930 11.294 -9.337 1.00 0.00 C ATOM 1924 C GLU A 120 5.715 12.006 -9.930 1.00 0.00 C ATOM 1925 O GLU A 120 5.078 11.501 -10.854 1.00 0.00 O ATOM 1926 CB GLU A 120 7.609 10.454 -10.419 1.00 0.00 C ATOM 1927 CG GLU A 120 8.507 9.355 -9.874 1.00 0.00 C ATOM 1928 CD GLU A 120 9.907 9.402 -10.455 1.00 0.00 C ATOM 1929 OE1 GLU A 120 10.034 9.426 -11.698 1.00 0.00 O ATOM 1930 OE2 GLU A 120 10.877 9.416 -9.668 1.00 0.00 O ATOM 0 H GLU A 120 7.253 10.486 -7.433 1.00 0.00 H new ATOM 0 HA GLU A 120 7.621 12.055 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 120 6.843 10.004 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 120 8.201 11.111 -11.056 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.565 9.443 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.060 8.385 -10.091 1.00 0.00 H new ATOM 1937 N GLY A 121 5.418 13.194 -9.411 1.00 0.00 N ATOM 1938 CA GLY A 121 4.302 13.978 -9.916 1.00 0.00 C ATOM 1939 C GLY A 121 2.926 13.398 -9.619 1.00 0.00 C ATOM 1940 O GLY A 121 1.920 14.088 -9.786 1.00 0.00 O ATOM 0 H GLY A 121 5.933 13.630 -8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.358 14.980 -9.490 1.00 0.00 H new ATOM 0 HA3 GLY A 121 4.410 14.084 -10.995 1.00 0.00 H new ATOM 1944 N VAL A 122 2.859 12.137 -9.202 1.00 0.00 N ATOM 1945 CA VAL A 122 1.574 11.505 -8.921 1.00 0.00 C ATOM 1946 C VAL A 122 1.341 11.305 -7.423 1.00 0.00 C ATOM 1947 O VAL A 122 1.995 10.483 -6.786 1.00 0.00 O ATOM 1948 CB VAL A 122 1.456 10.154 -9.666 1.00 0.00 C ATOM 1949 CG1 VAL A 122 0.403 9.254 -9.057 1.00 0.00 C ATOM 1950 CG2 VAL A 122 1.160 10.397 -11.135 1.00 0.00 C ATOM 0 H VAL A 122 3.671 11.538 -9.052 1.00 0.00 H new ATOM 0 HA VAL A 122 0.801 12.182 -9.284 1.00 0.00 H new ATOM 0 HB VAL A 122 2.412 9.640 -9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.358 8.318 -9.614 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.659 9.046 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.567 9.749 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.078 9.441 -11.653 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.222 10.943 -11.232 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.967 10.981 -11.577 1.00 0.00 H new ATOM 1960 N GLU A 123 0.378 12.047 -6.882 1.00 0.00 N ATOM 1961 CA GLU A 123 0.021 11.943 -5.472 1.00 0.00 C ATOM 1962 C GLU A 123 -1.398 11.400 -5.337 1.00 0.00 C ATOM 1963 O GLU A 123 -2.349 12.000 -5.837 1.00 0.00 O ATOM 1964 CB GLU A 123 0.132 13.308 -4.788 1.00 0.00 C ATOM 1965 CG GLU A 123 0.717 13.238 -3.386 1.00 0.00 C ATOM 1966 CD GLU A 123 1.880 14.191 -3.184 1.00 0.00 C ATOM 1967 OE1 GLU A 123 2.482 14.617 -4.192 1.00 0.00 O ATOM 1968 OE2 GLU A 123 2.189 14.511 -2.017 1.00 0.00 O ATOM 0 H GLU A 123 -0.171 12.730 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 123 0.714 11.257 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.753 13.963 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.858 13.762 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.064 13.466 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.050 12.219 -3.187 1.00 0.00 H new ATOM 1975 N ALA A 124 -1.537 10.254 -4.677 1.00 0.00 N ATOM 1976 CA ALA A 124 -2.846 9.635 -4.505 1.00 0.00 C ATOM 1977 C ALA A 124 -3.190 9.432 -3.037 1.00 0.00 C ATOM 1978 O ALA A 124 -2.355 9.012 -2.244 1.00 0.00 O ATOM 1979 CB ALA A 124 -2.907 8.310 -5.263 1.00 0.00 C ATOM 0 H ALA A 124 -0.765 9.738 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.591 10.315 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.889 7.858 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.734 8.490 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.141 7.636 -4.880 1.00 0.00 H new ATOM 1985 N LYS A 125 -4.438 9.727 -2.691 1.00 0.00 N ATOM 1986 CA LYS A 125 -4.919 9.574 -1.324 1.00 0.00 C ATOM 1987 C LYS A 125 -5.873 8.390 -1.252 1.00 0.00 C ATOM 1988 O LYS A 125 -6.322 7.893 -2.284 1.00 0.00 O ATOM 1989 CB LYS A 125 -5.632 10.846 -0.864 1.00 0.00 C ATOM 1990 CG LYS A 125 -4.687 11.994 -0.554 1.00 0.00 C ATOM 1991 CD LYS A 125 -4.829 13.126 -1.560 1.00 0.00 C ATOM 1992 CE LYS A 125 -3.474 13.658 -1.996 1.00 0.00 C ATOM 1993 NZ LYS A 125 -3.507 15.126 -2.244 1.00 0.00 N ATOM 0 H LYS A 125 -5.139 10.076 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.068 9.397 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -6.331 11.161 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -6.221 10.621 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -4.889 12.371 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.659 11.631 -0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -5.380 12.772 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -5.414 13.934 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.733 13.436 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.157 13.144 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.564 15.449 -2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.196 15.336 -2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.785 15.619 -1.372 1.00 0.00 H new ATOM 2007 N ARG A 126 -6.176 7.925 -0.046 1.00 0.00 N ATOM 2008 CA ARG A 126 -7.069 6.784 0.098 1.00 0.00 C ATOM 2009 C ARG A 126 -7.642 6.667 1.508 1.00 0.00 C ATOM 2010 O ARG A 126 -6.915 6.407 2.467 1.00 0.00 O ATOM 2011 CB ARG A 126 -6.319 5.501 -0.268 1.00 0.00 C ATOM 2012 CG ARG A 126 -7.180 4.250 -0.223 1.00 0.00 C ATOM 2013 CD ARG A 126 -6.713 3.217 -1.237 1.00 0.00 C ATOM 2014 NE ARG A 126 -5.577 2.437 -0.746 1.00 0.00 N ATOM 2015 CZ ARG A 126 -4.303 2.725 -1.006 1.00 0.00 C ATOM 2016 NH1 ARG A 126 -3.985 3.776 -1.754 1.00 0.00 N ATOM 2017 NH2 ARG A 126 -3.339 1.957 -0.516 1.00 0.00 N ATOM 0 H ARG A 126 -5.824 8.312 0.830 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.910 6.936 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.903 5.608 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.478 5.376 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.147 3.820 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -8.219 4.514 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -7.538 2.545 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -6.434 3.719 -2.163 1.00 0.00 H new ATOM 0 HE ARG A 126 -5.773 1.620 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.720 4.372 -2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.006 3.987 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.574 1.148 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.363 2.176 -0.714 1.00 0.00 H new ATOM 2031 N ILE A 127 -8.960 6.829 1.617 1.00 0.00 N ATOM 2032 CA ILE A 127 -9.643 6.705 2.899 1.00 0.00 C ATOM 2033 C ILE A 127 -9.804 5.233 3.239 1.00 0.00 C ATOM 2034 O ILE A 127 -10.106 4.417 2.365 1.00 0.00 O ATOM 2035 CB ILE A 127 -11.035 7.368 2.891 1.00 0.00 C ATOM 2036 CG1 ILE A 127 -11.020 8.664 2.078 1.00 0.00 C ATOM 2037 CG2 ILE A 127 -11.497 7.638 4.315 1.00 0.00 C ATOM 2038 CD1 ILE A 127 -10.107 9.723 2.639 1.00 0.00 C ATOM 0 H ILE A 127 -9.574 7.046 0.832 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.034 7.217 3.644 1.00 0.00 H new ATOM 0 HB ILE A 127 -11.738 6.682 2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -10.714 8.438 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -12.034 9.061 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -12.481 8.106 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -11.553 6.698 4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.788 8.304 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -10.150 10.611 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.425 9.979 3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -9.085 9.346 2.665 1.00 0.00 H new ATOM 2050 N PHE A 128 -9.577 4.884 4.495 1.00 0.00 N ATOM 2051 CA PHE A 128 -9.670 3.493 4.909 1.00 0.00 C ATOM 2052 C PHE A 128 -10.729 3.260 5.984 1.00 0.00 C ATOM 2053 O PHE A 128 -11.079 4.157 6.748 1.00 0.00 O ATOM 2054 CB PHE A 128 -8.310 3.021 5.424 1.00 0.00 C ATOM 2055 CG PHE A 128 -8.390 1.753 6.217 1.00 0.00 C ATOM 2056 CD1 PHE A 128 -8.469 0.536 5.574 1.00 0.00 C ATOM 2057 CD2 PHE A 128 -8.412 1.780 7.602 1.00 0.00 C ATOM 2058 CE1 PHE A 128 -8.567 -0.626 6.290 1.00 0.00 C ATOM 2059 CE2 PHE A 128 -8.504 0.608 8.326 1.00 0.00 C ATOM 2060 CZ PHE A 128 -8.581 -0.597 7.667 1.00 0.00 C ATOM 0 H PHE A 128 -9.330 5.537 5.239 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.971 2.919 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.640 2.872 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.871 3.803 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -8.453 0.499 4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.357 2.726 8.120 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.634 -1.571 5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.515 0.637 9.406 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.652 -1.517 8.228 1.00 0.00 H new ATOM 2070 N LYS A 129 -11.200 2.015 6.044 1.00 0.00 N ATOM 2071 CA LYS A 129 -12.184 1.588 7.029 1.00 0.00 C ATOM 2072 C LYS A 129 -11.864 0.163 7.464 1.00 0.00 C ATOM 2073 O LYS A 129 -11.230 -0.586 6.725 1.00 0.00 O ATOM 2074 CB LYS A 129 -13.602 1.655 6.464 1.00 0.00 C ATOM 2075 CG LYS A 129 -13.931 2.981 5.801 1.00 0.00 C ATOM 2076 CD LYS A 129 -14.270 4.049 6.829 1.00 0.00 C ATOM 2077 CE LYS A 129 -15.770 4.146 7.056 1.00 0.00 C ATOM 2078 NZ LYS A 129 -16.396 2.805 7.220 1.00 0.00 N ATOM 0 H LYS A 129 -10.907 1.274 5.407 1.00 0.00 H new ATOM 0 HA LYS A 129 -12.136 2.261 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -13.733 0.853 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -14.314 1.475 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.083 3.309 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.772 2.850 5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.772 3.820 7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -13.888 5.013 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -15.964 4.748 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -16.232 4.661 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -17.410 2.918 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -16.277 2.257 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.939 2.303 8.008 1.00 0.00 H new ATOM 2092 N LYS A 130 -12.291 -0.211 8.659 1.00 0.00 N ATOM 2093 CA LYS A 130 -12.022 -1.556 9.162 1.00 0.00 C ATOM 2094 C LYS A 130 -13.280 -2.412 9.185 1.00 0.00 C ATOM 2095 O LYS A 130 -14.393 -1.905 9.324 1.00 0.00 O ATOM 2096 CB LYS A 130 -11.396 -1.504 10.555 1.00 0.00 C ATOM 2097 CG LYS A 130 -12.044 -0.495 11.488 1.00 0.00 C ATOM 2098 CD LYS A 130 -11.251 -0.341 12.777 1.00 0.00 C ATOM 2099 CE LYS A 130 -10.419 0.932 12.772 1.00 0.00 C ATOM 2100 NZ LYS A 130 -9.170 0.782 13.568 1.00 0.00 N ATOM 0 H LYS A 130 -12.819 0.386 9.295 1.00 0.00 H new ATOM 0 HA LYS A 130 -11.313 -2.018 8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.459 -2.494 11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.337 -1.265 10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.118 0.470 10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.061 -0.813 11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -11.934 -0.327 13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -10.597 -1.203 12.908 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -10.166 1.196 11.745 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -11.010 1.754 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -8.631 1.671 13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -9.412 0.555 14.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.593 0.015 13.168 1.00 0.00 H new ATOM 2114 N ASP A 131 -13.086 -3.719 9.048 1.00 0.00 N ATOM 2115 CA ASP A 131 -14.192 -4.667 9.050 1.00 0.00 C ATOM 2116 C ASP A 131 -14.741 -4.862 10.459 1.00 0.00 C ATOM 2117 O ASP A 131 -13.938 -5.152 11.371 1.00 0.35 O ATOM 2118 CB ASP A 131 -13.730 -6.008 8.477 1.00 0.00 C ATOM 2119 CG ASP A 131 -14.831 -6.726 7.722 1.00 0.00 C ATOM 2120 OD1 ASP A 131 -15.022 -6.428 6.525 1.00 0.00 O ATOM 2121 OD2 ASP A 131 -15.504 -7.586 8.329 1.00 0.00 O ATOM 2122 OXT ASP A 131 -15.969 -4.723 10.640 1.00 0.35 O ATOM 0 H ASP A 131 -12.167 -4.147 8.934 1.00 0.00 H new ATOM 0 HA ASP A 131 -14.990 -4.264 8.426 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.884 -5.842 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -13.376 -6.644 9.289 1.00 0.00 H new TER 2127 ASP A 131 HETATM 2128 O3 KTR A 201 1.089 4.751 -3.385 1.00 20.00 O HETATM 2129 C4 KTR A 201 -0.650 1.242 -4.692 1.00 20.00 C HETATM 2130 C5 KTR A 201 0.293 1.443 -3.780 1.00 20.00 C HETATM 2131 C6 KTR A 201 2.150 0.531 -2.727 1.00 20.00 C HETATM 2132 N1 KTR A 201 1.043 0.324 -3.697 1.00 20.00 N HETATM 2133 C7 KTR A 201 1.762 1.693 -1.893 1.00 20.00 C HETATM 2134 C8 KTR A 201 0.831 2.468 -2.791 1.00 20.00 C HETATM 2135 C9 KTR A 201 1.560 3.601 -3.515 1.00 20.00 C HETATM 2136 C10 KTR A 201 1.540 -2.338 -6.238 1.00 20.00 C HETATM 2137 C11 KTR A 201 0.616 -2.831 -7.156 1.00 20.00 C HETATM 2138 C12 KTR A 201 1.004 -3.142 -8.452 1.00 20.00 C HETATM 2139 C13 KTR A 201 2.326 -2.962 -8.841 1.00 20.00 C HETATM 2140 C14 KTR A 201 3.255 -2.473 -7.931 1.00 20.00 C HETATM 2141 C15 KTR A 201 2.860 -2.163 -6.637 1.00 20.00 C HETATM 2142 O1 KTR A 201 1.197 -2.782 -3.903 1.00 20.00 O HETATM 2143 C1 KTR A 201 1.103 -1.968 -4.821 1.00 20.00 C HETATM 2144 C2 KTR A 201 0.550 -0.568 -4.564 1.00 20.00 C HETATM 2145 C3 KTR A 201 -0.489 -0.026 -5.184 1.00 20.00 C HETATM 2146 O2 KTR A 201 2.570 3.291 -4.184 1.00 20.00 O HETATM 0 H9 KTR A 201 0.273 -3.527 -9.163 1.00 20.00 H new HETATM 0 H8 KTR A 201 -0.422 -2.974 -6.854 1.00 20.00 H new HETATM 0 H7 KTR A 201 0.034 2.948 -2.223 1.00 20.00 H new HETATM 0 H6 KTR A 201 1.267 1.381 -0.973 1.00 20.00 H new HETATM 0 H5 KTR A 201 2.628 2.287 -1.603 1.00 20.00 H new HETATM 0 H4 KTR A 201 2.299 -0.356 -2.112 1.00 20.00 H new HETATM 0 H3 KTR A 201 3.090 0.721 -3.245 1.00 20.00 H new HETATM 0 H2 KTR A 201 -1.415 1.957 -4.995 1.00 20.00 H new HETATM 0 H13 KTR A 201 -1.104 -0.503 -5.947 1.00 20.00 H new HETATM 0 H12 KTR A 201 3.592 -1.779 -5.927 1.00 20.00 H new HETATM 0 H11 KTR A 201 4.293 -2.333 -8.233 1.00 20.00 H new HETATM 0 H10 KTR A 201 2.634 -3.204 -9.858 1.00 20.00 H new HETATM 0 H1 KTR A 201 0.993 5.167 -4.267 1.00 20.00 H new