USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1004 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 LYS NZ :NH3+ -158:sc= 1.75 (180deg=1.05) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 82:sc= 0.899 USER MOD Single : A 15 MET CE :methyl -162:sc= -3.6 (180deg=-5.47) USER MOD Single : A 20 THR OG1 : rot -67:sc= 0.372 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 15:sc= -0.641 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc=-0.00289 (180deg=-0.151) USER MOD Single : A 36 CYS SG : rot -47:sc= 0.434 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 83:sc= 1.31 USER MOD Single : A 43 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.77) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 79:sc= 1.27 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.741 K(o=0.74,f=-5.1!) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0597) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.753 K(o=-0.75,f=-2.4) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 1.45 (180deg=0.656) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 90:sc= -0.015 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.921! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 156:sc= -1.2 (180deg=-3.15!) USER MOD Single : A 89 GLN : amide:sc= 0.0467 K(o=0.047,f=-0.96) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.707 F(o=-1.7,f=-0.71) USER MOD Single : A 92 SER OG : rot -101:sc= 2.12 USER MOD Single : A 97 ASN : amide:sc=-0.00726 X(o=-0.0073,f=-0.0073) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.492) USER MOD Single : A 114 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.6) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 122 HIS : no HD1:sc= -0.863 X(o=-0.86,f=-0.41) USER MOD Single : A 124 THR OG1 : rot -77:sc= 0.184 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.385 14.381 3.114 1.00 0.00 N ATOM 93 CA TYR A 10 8.027 14.800 2.788 1.00 0.00 C ATOM 94 C TYR A 10 7.619 14.427 1.373 1.00 0.00 C ATOM 95 O TYR A 10 6.534 13.876 1.186 1.00 0.00 O ATOM 96 CB TYR A 10 7.866 16.310 3.052 1.00 0.00 C ATOM 97 CG TYR A 10 7.381 17.207 1.927 1.00 0.00 C ATOM 98 CD1 TYR A 10 6.009 17.443 1.716 1.00 0.00 C ATOM 99 CD2 TYR A 10 8.338 17.895 1.159 1.00 0.00 C ATOM 100 CE1 TYR A 10 5.595 18.409 0.776 1.00 0.00 C ATOM 101 CE2 TYR A 10 7.937 18.868 0.235 1.00 0.00 C ATOM 102 CZ TYR A 10 6.566 19.145 0.054 1.00 0.00 C ATOM 103 OH TYR A 10 6.230 20.149 -0.800 1.00 0.00 O ATOM 0 HA TYR A 10 7.346 14.255 3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.175 16.426 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.832 16.691 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.273 16.884 2.275 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.387 17.672 1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.543 18.587 0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.677 19.406 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 10 7.043 20.528 -1.195 1.00 0.00 H new ATOM 113 N TRP A 11 8.443 14.717 0.359 1.00 0.00 N ATOM 114 CA TRP A 11 7.984 14.540 -1.013 1.00 0.00 C ATOM 115 C TRP A 11 7.816 13.066 -1.390 1.00 0.00 C ATOM 116 O TRP A 11 7.108 12.738 -2.344 1.00 0.00 O ATOM 117 CB TRP A 11 8.797 15.335 -2.036 1.00 0.00 C ATOM 118 CG TRP A 11 7.865 15.958 -3.029 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.216 17.124 -2.829 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.305 15.397 -4.252 1.00 0.00 C ATOM 121 NE1 TRP A 11 6.306 17.335 -3.848 1.00 0.00 N ATOM 122 CE2 TRP A 11 6.291 16.275 -4.731 1.00 0.00 C ATOM 123 CE3 TRP A 11 7.513 14.207 -4.974 1.00 0.00 C ATOM 124 CZ2 TRP A 11 5.515 15.970 -5.858 1.00 0.00 C ATOM 125 CZ3 TRP A 11 6.754 13.897 -6.119 1.00 0.00 C ATOM 126 CH2 TRP A 11 5.749 14.775 -6.559 1.00 0.00 C ATOM 0 H TRP A 11 9.397 15.063 0.460 1.00 0.00 H new ATOM 0 HA TRP A 11 6.986 14.976 -1.049 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.381 16.106 -1.534 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.504 14.680 -2.545 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.383 17.792 -1.997 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.722 18.166 -3.936 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.273 13.515 -4.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.742 16.649 -6.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 6.945 12.982 -6.660 1.00 0.00 H new ATOM 0 HH2 TRP A 11 5.160 14.533 -7.431 1.00 0.00 H new ATOM 137 N ARG A 12 8.405 12.142 -0.628 1.00 0.00 N ATOM 138 CA ARG A 12 8.132 10.724 -0.816 1.00 0.00 C ATOM 139 C ARG A 12 6.679 10.438 -0.400 1.00 0.00 C ATOM 140 O ARG A 12 6.027 9.604 -1.029 1.00 0.00 O ATOM 141 CB ARG A 12 9.144 9.862 -0.035 1.00 0.00 C ATOM 142 CG ARG A 12 10.632 10.194 -0.281 1.00 0.00 C ATOM 143 CD ARG A 12 11.266 9.784 -1.612 1.00 0.00 C ATOM 144 NE ARG A 12 12.557 10.462 -1.832 1.00 0.00 N ATOM 145 CZ ARG A 12 12.827 11.569 -2.539 1.00 0.00 C ATOM 146 NH1 ARG A 12 11.892 12.184 -3.254 1.00 0.00 N ATOM 147 NH2 ARG A 12 14.063 12.053 -2.518 1.00 0.00 N ATOM 0 H ARG A 12 9.068 12.352 0.118 1.00 0.00 H new ATOM 0 HA ARG A 12 8.249 10.459 -1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.938 9.967 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.976 8.816 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.752 11.272 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.211 9.730 0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.415 8.704 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.585 10.024 -2.429 1.00 0.00 H new ATOM 0 HE ARG A 12 13.361 10.026 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.941 11.816 -3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.125 13.025 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.785 11.584 -1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.290 12.894 -3.049 1.00 0.00 H new ATOM 161 N SER A 13 6.145 11.131 0.618 1.00 0.00 N ATOM 162 CA SER A 13 4.768 10.973 1.084 1.00 0.00 C ATOM 163 C SER A 13 3.822 11.437 -0.013 1.00 0.00 C ATOM 164 O SER A 13 2.810 10.799 -0.283 1.00 0.00 O ATOM 165 CB SER A 13 4.565 11.782 2.380 1.00 0.00 C ATOM 166 OG SER A 13 3.461 11.320 3.134 1.00 0.00 O ATOM 0 H SER A 13 6.671 11.827 1.146 1.00 0.00 H new ATOM 0 HA SER A 13 4.558 9.927 1.306 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.468 11.722 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.417 12.833 2.130 1.00 0.00 H new ATOM 0 HG SER A 13 3.731 10.543 3.667 1.00 0.00 H new ATOM 172 N ARG A 14 4.173 12.528 -0.694 1.00 0.00 N ATOM 173 CA ARG A 14 3.338 13.163 -1.709 1.00 0.00 C ATOM 174 C ARG A 14 3.097 12.280 -2.924 1.00 0.00 C ATOM 175 O ARG A 14 2.119 12.506 -3.636 1.00 0.00 O ATOM 176 CB ARG A 14 3.995 14.476 -2.145 1.00 0.00 C ATOM 177 CG ARG A 14 4.308 15.410 -0.965 1.00 0.00 C ATOM 178 CD ARG A 14 3.115 15.725 -0.052 1.00 0.00 C ATOM 179 NE ARG A 14 1.961 16.290 -0.777 1.00 0.00 N ATOM 180 CZ ARG A 14 1.949 17.272 -1.682 1.00 0.00 C ATOM 181 NH1 ARG A 14 2.980 18.103 -1.778 1.00 0.00 N ATOM 182 NH2 ARG A 14 0.918 17.395 -2.501 1.00 0.00 N ATOM 0 H ARG A 14 5.064 13.003 -0.551 1.00 0.00 H new ATOM 0 HA ARG A 14 2.362 13.346 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.918 14.254 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.337 14.991 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.097 14.959 -0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.703 16.347 -1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.805 14.813 0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.431 16.428 0.719 1.00 0.00 H new ATOM 0 HE ARG A 14 1.054 15.877 -0.559 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.784 17.992 -1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.968 18.852 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.137 16.742 -2.440 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.904 18.143 -3.194 1.00 0.00 H new ATOM 196 N MET A 15 3.959 11.291 -3.170 1.00 0.00 N ATOM 197 CA MET A 15 3.708 10.287 -4.193 1.00 0.00 C ATOM 198 C MET A 15 2.590 9.371 -3.726 1.00 0.00 C ATOM 199 O MET A 15 1.631 9.164 -4.467 1.00 0.00 O ATOM 200 CB MET A 15 4.964 9.484 -4.516 1.00 0.00 C ATOM 201 CG MET A 15 6.162 10.385 -4.832 1.00 0.00 C ATOM 202 SD MET A 15 7.297 9.767 -6.096 1.00 0.00 S ATOM 203 CE MET A 15 7.314 8.011 -5.653 1.00 0.00 C ATOM 0 H MET A 15 4.839 11.168 -2.670 1.00 0.00 H new ATOM 0 HA MET A 15 3.409 10.792 -5.111 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.209 8.840 -3.671 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.767 8.832 -5.367 1.00 0.00 H new ATOM 0 HG2 MET A 15 5.787 11.358 -5.151 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.725 10.546 -3.912 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.183 7.531 -6.102 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.363 7.910 -4.569 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.406 7.534 -6.021 1.00 0.00 H new ATOM 213 N ILE A 16 2.718 8.839 -2.504 1.00 0.00 N ATOM 214 CA ILE A 16 1.727 7.946 -1.917 1.00 0.00 C ATOM 215 C ILE A 16 0.380 8.669 -1.918 1.00 0.00 C ATOM 216 O ILE A 16 -0.595 8.159 -2.461 1.00 0.00 O ATOM 217 CB ILE A 16 2.129 7.475 -0.494 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.567 6.909 -0.348 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.110 6.415 -0.018 1.00 0.00 C ATOM 220 CD1 ILE A 16 3.949 5.927 -1.447 1.00 0.00 C ATOM 0 H ILE A 16 3.517 9.020 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 16 1.660 7.037 -2.514 1.00 0.00 H new ATOM 0 HB ILE A 16 2.119 8.372 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.276 7.737 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.657 6.413 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.380 6.074 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.112 6.854 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.118 5.568 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.966 5.573 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.263 5.080 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.892 6.424 -2.415 1.00 0.00 H new ATOM 232 N ASP A 17 0.343 9.871 -1.340 1.00 0.00 N ATOM 233 CA ASP A 17 -0.891 10.610 -1.119 1.00 0.00 C ATOM 234 C ASP A 17 -1.601 10.920 -2.437 1.00 0.00 C ATOM 235 O ASP A 17 -2.833 10.944 -2.486 1.00 0.00 O ATOM 236 CB ASP A 17 -0.629 11.889 -0.307 1.00 0.00 C ATOM 237 CG ASP A 17 -1.623 11.989 0.849 1.00 0.00 C ATOM 238 OD1 ASP A 17 -2.847 12.138 0.613 1.00 0.00 O ATOM 239 OD2 ASP A 17 -1.199 11.854 2.019 1.00 0.00 O ATOM 0 H ASP A 17 1.177 10.358 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.558 9.976 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.390 11.882 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.719 12.763 -0.952 1.00 0.00 H new ATOM 244 N ALA A 18 -0.842 11.139 -3.519 1.00 0.00 N ATOM 245 CA ALA A 18 -1.384 11.352 -4.854 1.00 0.00 C ATOM 246 C ALA A 18 -2.106 10.100 -5.352 1.00 0.00 C ATOM 247 O ALA A 18 -3.239 10.194 -5.833 1.00 0.00 O ATOM 248 CB ALA A 18 -0.271 11.754 -5.827 1.00 0.00 C ATOM 0 H ALA A 18 0.177 11.172 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.108 12.165 -4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.694 11.909 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.197 12.677 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.477 10.963 -5.871 1.00 0.00 H new ATOM 254 N VAL A 19 -1.480 8.922 -5.269 1.00 0.00 N ATOM 255 CA VAL A 19 -2.123 7.686 -5.716 1.00 0.00 C ATOM 256 C VAL A 19 -3.231 7.216 -4.768 1.00 0.00 C ATOM 257 O VAL A 19 -4.003 6.328 -5.143 1.00 0.00 O ATOM 258 CB VAL A 19 -1.103 6.578 -6.025 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.234 6.991 -7.212 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.201 6.182 -4.858 1.00 0.00 C ATOM 0 H VAL A 19 -0.537 8.800 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.617 7.924 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.701 5.695 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.487 6.202 -7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.865 7.154 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.297 7.912 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.482 5.395 -5.177 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.372 7.049 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.813 5.819 -4.032 1.00 0.00 H new ATOM 270 N THR A 20 -3.391 7.855 -3.605 1.00 0.00 N ATOM 271 CA THR A 20 -4.486 7.652 -2.670 1.00 0.00 C ATOM 272 C THR A 20 -5.337 8.931 -2.579 1.00 0.00 C ATOM 273 O THR A 20 -5.833 9.273 -1.506 1.00 0.00 O ATOM 274 CB THR A 20 -3.941 7.121 -1.326 1.00 0.00 C ATOM 275 OG1 THR A 20 -3.030 8.003 -0.715 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.211 5.788 -1.518 1.00 0.00 C ATOM 0 H THR A 20 -2.727 8.558 -3.281 1.00 0.00 H new ATOM 0 HA THR A 20 -5.168 6.879 -3.023 1.00 0.00 H new ATOM 0 HB THR A 20 -4.817 7.007 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.216 8.059 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.837 5.436 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.901 5.052 -1.931 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.375 5.926 -2.204 1.00 0.00 H new ATOM 284 N SER A 21 -5.506 9.669 -3.684 1.00 0.00 N ATOM 285 CA SER A 21 -6.345 10.868 -3.721 1.00 0.00 C ATOM 286 C SER A 21 -7.782 10.406 -3.474 1.00 0.00 C ATOM 287 O SER A 21 -8.189 9.413 -4.074 1.00 0.00 O ATOM 288 CB SER A 21 -6.166 11.559 -5.081 1.00 0.00 C ATOM 289 OG SER A 21 -6.781 12.829 -5.156 1.00 0.00 O ATOM 0 H SER A 21 -5.064 9.449 -4.576 1.00 0.00 H new ATOM 0 HA SER A 21 -6.073 11.599 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.101 11.668 -5.286 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.577 10.919 -5.861 1.00 0.00 H new ATOM 0 HG SER A 21 -6.629 13.214 -6.044 1.00 0.00 H new ATOM 295 N ASP A 22 -8.518 11.015 -2.543 1.00 0.00 N ATOM 296 CA ASP A 22 -9.920 10.693 -2.250 1.00 0.00 C ATOM 297 C ASP A 22 -10.767 10.999 -3.496 1.00 0.00 C ATOM 298 O ASP A 22 -11.147 12.142 -3.742 1.00 0.00 O ATOM 299 CB ASP A 22 -10.388 11.406 -0.976 1.00 0.00 C ATOM 300 CG ASP A 22 -10.478 12.924 -1.077 1.00 0.00 C ATOM 301 OD1 ASP A 22 -9.413 13.587 -1.130 1.00 0.00 O ATOM 302 OD2 ASP A 22 -11.598 13.482 -1.045 1.00 0.00 O ATOM 0 H ASP A 22 -8.149 11.764 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.039 9.631 -2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.369 11.018 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.705 11.152 -0.165 1.00 0.00 H new ATOM 307 N GLU A 23 -10.960 9.997 -4.350 1.00 0.00 N ATOM 308 CA GLU A 23 -11.622 10.089 -5.642 1.00 0.00 C ATOM 309 C GLU A 23 -12.138 8.686 -5.931 1.00 0.00 C ATOM 310 O GLU A 23 -11.354 7.733 -5.855 1.00 0.00 O ATOM 311 CB GLU A 23 -10.649 10.440 -6.780 1.00 0.00 C ATOM 312 CG GLU A 23 -9.852 11.741 -6.678 1.00 0.00 C ATOM 313 CD GLU A 23 -8.973 11.877 -7.922 1.00 0.00 C ATOM 314 OE1 GLU A 23 -8.161 10.949 -8.170 1.00 0.00 O ATOM 315 OE2 GLU A 23 -9.142 12.848 -8.698 1.00 0.00 O ATOM 0 H GLU A 23 -10.641 9.050 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.388 10.863 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.937 9.620 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.220 10.472 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.528 12.593 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.236 11.737 -5.779 1.00 0.00 H new ATOM 322 N ASP A 24 -13.405 8.552 -6.306 1.00 0.00 N ATOM 323 CA ASP A 24 -14.042 7.267 -6.604 1.00 0.00 C ATOM 324 C ASP A 24 -13.283 6.487 -7.692 1.00 0.00 C ATOM 325 O ASP A 24 -13.241 5.257 -7.665 1.00 0.00 O ATOM 326 CB ASP A 24 -15.497 7.542 -7.006 1.00 0.00 C ATOM 327 CG ASP A 24 -16.232 6.295 -7.502 1.00 0.00 C ATOM 328 OD1 ASP A 24 -16.847 5.588 -6.668 1.00 0.00 O ATOM 329 OD2 ASP A 24 -16.229 6.061 -8.733 1.00 0.00 O ATOM 0 H ASP A 24 -14.034 9.348 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.019 6.631 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.032 7.955 -6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.514 8.301 -7.788 1.00 0.00 H new ATOM 334 N LYS A 25 -12.660 7.188 -8.646 1.00 0.00 N ATOM 335 CA LYS A 25 -11.829 6.590 -9.693 1.00 0.00 C ATOM 336 C LYS A 25 -10.434 6.260 -9.155 1.00 0.00 C ATOM 337 O LYS A 25 -9.787 7.125 -8.557 1.00 0.00 O ATOM 338 CB LYS A 25 -11.744 7.566 -10.870 1.00 0.00 C ATOM 339 CG LYS A 25 -10.941 7.006 -12.051 1.00 0.00 C ATOM 340 CD LYS A 25 -10.878 7.997 -13.214 1.00 0.00 C ATOM 341 CE LYS A 25 -10.011 9.219 -12.883 1.00 0.00 C ATOM 342 NZ LYS A 25 -9.874 10.112 -14.047 1.00 0.00 N ATOM 0 H LYS A 25 -12.721 8.204 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.278 5.655 -10.028 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.752 7.812 -11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.285 8.495 -10.533 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.930 6.766 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.395 6.075 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.477 7.496 -14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.887 8.326 -13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.455 9.767 -12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.024 8.890 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.283 10.928 -13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.429 9.594 -14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.814 10.445 -14.342 1.00 0.00 H new ATOM 356 N VAL A 26 -9.948 5.041 -9.405 1.00 0.00 N ATOM 357 CA VAL A 26 -8.614 4.588 -8.987 1.00 0.00 C ATOM 358 C VAL A 26 -7.501 5.369 -9.706 1.00 0.00 C ATOM 359 O VAL A 26 -7.696 5.816 -10.838 1.00 0.00 O ATOM 360 CB VAL A 26 -8.449 3.061 -9.175 1.00 0.00 C ATOM 361 CG1 VAL A 26 -9.472 2.282 -8.336 1.00 0.00 C ATOM 362 CG2 VAL A 26 -8.527 2.594 -10.637 1.00 0.00 C ATOM 0 H VAL A 26 -10.476 4.329 -9.910 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.519 4.796 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.439 2.846 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.330 1.212 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.333 2.518 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.481 2.562 -8.640 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.402 1.512 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.497 2.864 -11.054 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.737 3.074 -11.215 1.00 0.00 H new ATOM 372 N ALA A 27 -6.324 5.504 -9.075 1.00 0.00 N ATOM 373 CA ALA A 27 -5.145 6.125 -9.687 1.00 0.00 C ATOM 374 C ALA A 27 -4.564 5.234 -10.799 1.00 0.00 C ATOM 375 O ALA A 27 -4.792 4.016 -10.762 1.00 0.00 O ATOM 376 CB ALA A 27 -4.094 6.395 -8.605 1.00 0.00 C ATOM 0 H ALA A 27 -6.166 5.182 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.441 7.069 -10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.216 6.857 -9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.510 7.066 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.807 5.455 -8.134 1.00 0.00 H new ATOM 382 N PRO A 28 -3.804 5.792 -11.764 1.00 0.00 N ATOM 383 CA PRO A 28 -3.255 5.020 -12.873 1.00 0.00 C ATOM 384 C PRO A 28 -2.050 4.186 -12.445 1.00 0.00 C ATOM 385 O PRO A 28 -1.340 4.543 -11.507 1.00 0.00 O ATOM 386 CB PRO A 28 -2.811 6.046 -13.913 1.00 0.00 C ATOM 387 CG PRO A 28 -2.461 7.264 -13.067 1.00 0.00 C ATOM 388 CD PRO A 28 -3.450 7.201 -11.914 1.00 0.00 C ATOM 0 HA PRO A 28 -4.002 4.324 -13.255 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.954 5.694 -14.487 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.604 6.266 -14.627 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.431 7.223 -12.713 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.566 8.189 -13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.007 7.592 -10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.333 7.805 -12.124 1.00 0.00 H new ATOM 396 N VAL A 29 -1.767 3.117 -13.193 1.00 0.00 N ATOM 397 CA VAL A 29 -0.613 2.260 -12.948 1.00 0.00 C ATOM 398 C VAL A 29 0.696 3.042 -13.010 1.00 0.00 C ATOM 399 O VAL A 29 1.549 2.809 -12.156 1.00 0.00 O ATOM 400 CB VAL A 29 -0.598 1.054 -13.909 1.00 0.00 C ATOM 401 CG1 VAL A 29 0.652 0.184 -13.747 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.840 0.176 -13.681 1.00 0.00 C ATOM 0 H VAL A 29 -2.336 2.824 -13.987 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.706 1.872 -11.934 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.597 1.465 -14.919 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.609 -0.649 -14.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.540 0.782 -13.949 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.698 -0.201 -12.728 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.817 -0.672 -14.366 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.845 -0.188 -12.653 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.740 0.764 -13.862 1.00 0.00 H new ATOM 412 N TYR A 30 0.868 3.964 -13.964 1.00 0.00 N ATOM 413 CA TYR A 30 2.159 4.637 -14.096 1.00 0.00 C ATOM 414 C TYR A 30 2.487 5.511 -12.881 1.00 0.00 C ATOM 415 O TYR A 30 3.656 5.781 -12.633 1.00 0.00 O ATOM 416 CB TYR A 30 2.248 5.445 -15.399 1.00 0.00 C ATOM 417 CG TYR A 30 1.551 6.794 -15.340 1.00 0.00 C ATOM 418 CD1 TYR A 30 2.213 7.891 -14.752 1.00 0.00 C ATOM 419 CD2 TYR A 30 0.234 6.944 -15.812 1.00 0.00 C ATOM 420 CE1 TYR A 30 1.554 9.117 -14.596 1.00 0.00 C ATOM 421 CE2 TYR A 30 -0.429 8.178 -15.674 1.00 0.00 C ATOM 422 CZ TYR A 30 0.227 9.264 -15.048 1.00 0.00 C ATOM 423 OH TYR A 30 -0.424 10.433 -14.811 1.00 0.00 O ATOM 0 H TYR A 30 0.155 4.252 -14.634 1.00 0.00 H new ATOM 0 HA TYR A 30 2.914 3.852 -14.139 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.298 5.601 -15.647 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.813 4.858 -16.208 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.235 7.785 -14.420 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.269 6.111 -16.281 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.062 9.949 -14.130 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.436 8.296 -16.045 1.00 0.00 H new ATOM 0 HH TYR A 30 0.223 11.120 -14.547 1.00 0.00 H new ATOM 433 N LYS A 31 1.488 5.945 -12.104 1.00 0.00 N ATOM 434 CA LYS A 31 1.783 6.620 -10.850 1.00 0.00 C ATOM 435 C LYS A 31 2.083 5.622 -9.740 1.00 0.00 C ATOM 436 O LYS A 31 2.744 6.004 -8.788 1.00 0.00 O ATOM 437 CB LYS A 31 0.651 7.560 -10.432 1.00 0.00 C ATOM 438 CG LYS A 31 0.538 8.780 -11.348 1.00 0.00 C ATOM 439 CD LYS A 31 -0.138 9.958 -10.639 1.00 0.00 C ATOM 440 CE LYS A 31 -0.057 11.182 -11.553 1.00 0.00 C ATOM 441 NZ LYS A 31 1.308 11.758 -11.611 1.00 0.00 N ATOM 0 H LYS A 31 0.496 5.842 -12.319 1.00 0.00 H new ATOM 0 HA LYS A 31 2.675 7.224 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.293 7.014 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.818 7.892 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.532 9.078 -11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.032 8.515 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.178 9.720 -10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.354 10.161 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.373 10.902 -12.558 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.754 11.942 -11.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.265 12.711 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.702 11.815 -10.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.916 11.152 -12.199 1.00 0.00 H new ATOM 455 N LEU A 32 1.571 4.389 -9.795 1.00 0.00 N ATOM 456 CA LEU A 32 1.813 3.391 -8.758 1.00 0.00 C ATOM 457 C LEU A 32 3.233 2.840 -8.884 1.00 0.00 C ATOM 458 O LEU A 32 3.888 2.610 -7.868 1.00 0.00 O ATOM 459 CB LEU A 32 0.796 2.235 -8.836 1.00 0.00 C ATOM 460 CG LEU A 32 -0.684 2.631 -8.693 1.00 0.00 C ATOM 461 CD1 LEU A 32 -1.601 1.450 -9.027 1.00 0.00 C ATOM 462 CD2 LEU A 32 -1.015 3.083 -7.274 1.00 0.00 C ATOM 0 H LEU A 32 0.980 4.059 -10.558 1.00 0.00 H new ATOM 0 HA LEU A 32 1.694 3.880 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.925 1.727 -9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.036 1.513 -8.056 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.848 3.454 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.642 1.755 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.422 1.129 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.393 0.624 -8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.069 3.354 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.809 2.271 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.403 3.947 -7.015 1.00 0.00 H new ATOM 474 N GLU A 33 3.699 2.601 -10.115 1.00 0.00 N ATOM 475 CA GLU A 33 5.030 2.046 -10.357 1.00 0.00 C ATOM 476 C GLU A 33 6.128 3.003 -9.901 1.00 0.00 C ATOM 477 O GLU A 33 7.160 2.547 -9.417 1.00 0.00 O ATOM 478 CB GLU A 33 5.218 1.608 -11.817 1.00 0.00 C ATOM 479 CG GLU A 33 5.045 2.713 -12.863 1.00 0.00 C ATOM 480 CD GLU A 33 6.327 3.068 -13.618 1.00 0.00 C ATOM 481 OE1 GLU A 33 6.642 2.360 -14.607 1.00 0.00 O ATOM 482 OE2 GLU A 33 6.980 4.080 -13.293 1.00 0.00 O ATOM 0 H GLU A 33 3.166 2.786 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 33 5.115 1.145 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.216 1.182 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.506 0.811 -12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.288 2.402 -13.582 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.667 3.609 -12.370 1.00 0.00 H new ATOM 489 N GLU A 34 5.884 4.309 -9.973 1.00 0.00 N ATOM 490 CA GLU A 34 6.836 5.331 -9.570 1.00 0.00 C ATOM 491 C GLU A 34 7.294 5.138 -8.109 1.00 0.00 C ATOM 492 O GLU A 34 8.467 5.347 -7.787 1.00 0.00 O ATOM 493 CB GLU A 34 6.209 6.711 -9.850 1.00 0.00 C ATOM 494 CG GLU A 34 6.945 7.793 -9.065 1.00 0.00 C ATOM 495 CD GLU A 34 6.710 9.216 -9.547 1.00 0.00 C ATOM 496 OE1 GLU A 34 5.559 9.699 -9.607 1.00 0.00 O ATOM 497 OE2 GLU A 34 7.721 9.891 -9.852 1.00 0.00 O ATOM 0 H GLU A 34 5.003 4.689 -10.319 1.00 0.00 H new ATOM 0 HA GLU A 34 7.752 5.251 -10.155 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.256 6.930 -10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.155 6.703 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.646 7.727 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.014 7.585 -9.105 1.00 0.00 H new ATOM 504 N ILE A 35 6.392 4.733 -7.210 1.00 0.00 N ATOM 505 CA ILE A 35 6.715 4.523 -5.802 1.00 0.00 C ATOM 506 C ILE A 35 7.649 3.313 -5.683 1.00 0.00 C ATOM 507 O ILE A 35 8.641 3.377 -4.952 1.00 0.00 O ATOM 508 CB ILE A 35 5.410 4.345 -4.986 1.00 0.00 C ATOM 509 CG1 ILE A 35 4.560 5.630 -4.832 1.00 0.00 C ATOM 510 CG2 ILE A 35 5.706 3.833 -3.563 1.00 0.00 C ATOM 511 CD1 ILE A 35 3.809 6.118 -6.062 1.00 0.00 C ATOM 0 H ILE A 35 5.417 4.542 -7.442 1.00 0.00 H new ATOM 0 HA ILE A 35 7.233 5.390 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 35 4.838 3.624 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.833 5.461 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.218 6.432 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.770 3.718 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.213 2.870 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.344 4.548 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.256 7.024 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.519 6.333 -6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.113 5.347 -6.393 1.00 0.00 H new ATOM 523 N CYS A 36 7.326 2.195 -6.350 1.00 0.00 N ATOM 524 CA CYS A 36 8.166 1.001 -6.277 1.00 0.00 C ATOM 525 C CYS A 36 9.557 1.306 -6.837 1.00 0.00 C ATOM 526 O CYS A 36 10.558 0.803 -6.327 1.00 0.00 O ATOM 527 CB CYS A 36 7.477 -0.212 -6.928 1.00 0.00 C ATOM 528 SG CYS A 36 7.737 -0.380 -8.718 1.00 0.00 S ATOM 0 H CYS A 36 6.498 2.097 -6.938 1.00 0.00 H new ATOM 0 HA CYS A 36 8.307 0.717 -5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.834 -1.118 -6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.406 -0.147 -6.737 1.00 0.00 H new ATOM 0 HG CYS A 36 7.546 0.770 -9.294 1.00 0.00 H new ATOM 534 N ASP A 37 9.607 2.181 -7.844 1.00 0.00 N ATOM 535 CA ASP A 37 10.831 2.621 -8.476 1.00 0.00 C ATOM 536 C ASP A 37 11.702 3.384 -7.486 1.00 0.00 C ATOM 537 O ASP A 37 12.892 3.076 -7.349 1.00 0.00 O ATOM 538 CB ASP A 37 10.521 3.482 -9.703 1.00 0.00 C ATOM 539 CG ASP A 37 11.691 3.369 -10.664 1.00 0.00 C ATOM 540 OD1 ASP A 37 11.742 2.351 -11.395 1.00 0.00 O ATOM 541 OD2 ASP A 37 12.617 4.206 -10.610 1.00 0.00 O ATOM 0 H ASP A 37 8.772 2.607 -8.245 1.00 0.00 H new ATOM 0 HA ASP A 37 11.384 1.742 -8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.601 3.146 -10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.367 4.521 -9.411 1.00 0.00 H new ATOM 546 N LEU A 38 11.118 4.339 -6.750 1.00 0.00 N ATOM 547 CA LEU A 38 11.888 5.129 -5.801 1.00 0.00 C ATOM 548 C LEU A 38 12.522 4.268 -4.728 1.00 0.00 C ATOM 549 O LEU A 38 13.654 4.539 -4.343 1.00 0.00 O ATOM 550 CB LEU A 38 11.106 6.259 -5.138 1.00 0.00 C ATOM 551 CG LEU A 38 11.000 7.501 -6.037 1.00 0.00 C ATOM 552 CD1 LEU A 38 10.671 8.778 -5.265 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.201 7.844 -6.921 1.00 0.00 C ATOM 0 H LEU A 38 10.127 4.576 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 38 12.664 5.590 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.105 5.907 -4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.591 6.532 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 38 10.187 7.181 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.611 9.617 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.715 8.659 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.453 8.970 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.983 8.742 -7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.076 8.019 -6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.401 7.016 -7.601 1.00 0.00 H new ATOM 565 N LEU A 39 11.823 3.244 -4.248 1.00 0.00 N ATOM 566 CA LEU A 39 12.318 2.365 -3.195 1.00 0.00 C ATOM 567 C LEU A 39 13.560 1.583 -3.639 1.00 0.00 C ATOM 568 O LEU A 39 14.404 1.266 -2.798 1.00 0.00 O ATOM 569 CB LEU A 39 11.195 1.412 -2.784 1.00 0.00 C ATOM 570 CG LEU A 39 10.067 2.090 -2.002 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.765 1.304 -2.099 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.464 2.125 -0.545 1.00 0.00 C ATOM 0 H LEU A 39 10.891 2.999 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 39 12.621 2.973 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.778 0.949 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.615 0.610 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 39 9.912 3.086 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.988 1.816 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.462 1.229 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.913 0.304 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.676 2.604 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.613 1.107 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.390 2.689 -0.434 1.00 0.00 H new ATOM 584 N ARG A 40 13.712 1.274 -4.934 1.00 0.00 N ATOM 585 CA ARG A 40 14.962 0.732 -5.466 1.00 0.00 C ATOM 586 C ARG A 40 16.014 1.832 -5.561 1.00 0.00 C ATOM 587 O ARG A 40 17.186 1.588 -5.284 1.00 0.00 O ATOM 588 CB ARG A 40 14.739 0.143 -6.861 1.00 0.00 C ATOM 589 CG ARG A 40 13.815 -1.080 -6.893 1.00 0.00 C ATOM 590 CD ARG A 40 13.764 -1.675 -8.304 1.00 0.00 C ATOM 591 NE ARG A 40 13.073 -0.807 -9.284 1.00 0.00 N ATOM 592 CZ ARG A 40 12.319 -1.259 -10.296 1.00 0.00 C ATOM 593 NH1 ARG A 40 12.292 -2.554 -10.592 1.00 0.00 N ATOM 594 NH2 ARG A 40 11.581 -0.428 -11.025 1.00 0.00 N ATOM 0 H ARG A 40 12.978 1.392 -5.633 1.00 0.00 H new ATOM 0 HA ARG A 40 15.306 -0.051 -4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.321 0.916 -7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.705 -0.136 -7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.171 -1.831 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.812 -0.794 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.781 -1.861 -8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.259 -2.640 -8.265 1.00 0.00 H new ATOM 0 HE ARG A 40 13.178 0.203 -9.182 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.848 -3.213 -10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.715 -2.889 -11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.583 0.571 -10.818 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.013 -0.789 -11.791 1.00 0.00 H new ATOM 608 N SER A 41 15.616 3.041 -5.947 1.00 0.00 N ATOM 609 CA SER A 41 16.473 4.216 -6.027 1.00 0.00 C ATOM 610 C SER A 41 16.694 4.853 -4.638 1.00 0.00 C ATOM 611 O SER A 41 16.964 6.053 -4.539 1.00 0.00 O ATOM 612 CB SER A 41 15.852 5.183 -7.048 1.00 0.00 C ATOM 613 OG SER A 41 16.852 5.991 -7.633 1.00 0.00 O ATOM 0 H SER A 41 14.653 3.234 -6.222 1.00 0.00 H new ATOM 0 HA SER A 41 17.471 3.940 -6.368 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.332 4.619 -7.823 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.109 5.811 -6.558 1.00 0.00 H new ATOM 0 HG SER A 41 16.442 6.600 -8.282 1.00 0.00 H new ATOM 619 N SER A 42 16.567 4.089 -3.547 1.00 0.00 N ATOM 620 CA SER A 42 16.654 4.584 -2.182 1.00 0.00 C ATOM 621 C SER A 42 17.482 3.667 -1.288 1.00 0.00 C ATOM 622 O SER A 42 17.675 2.490 -1.591 1.00 0.00 O ATOM 623 CB SER A 42 15.248 4.691 -1.605 1.00 0.00 C ATOM 624 OG SER A 42 14.534 5.760 -2.181 1.00 0.00 O ATOM 0 H SER A 42 16.397 3.085 -3.598 1.00 0.00 H new ATOM 0 HA SER A 42 17.145 5.557 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.711 3.758 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.306 4.831 -0.526 1.00 0.00 H new ATOM 0 HG SER A 42 14.143 5.471 -3.032 1.00 0.00 H new ATOM 630 N HIS A 43 17.913 4.214 -0.152 1.00 0.00 N ATOM 631 CA HIS A 43 18.416 3.493 1.008 1.00 0.00 C ATOM 632 C HIS A 43 17.235 3.054 1.887 1.00 0.00 C ATOM 633 O HIS A 43 16.122 3.572 1.736 1.00 0.00 O ATOM 634 CB HIS A 43 19.374 4.447 1.738 1.00 0.00 C ATOM 635 CG HIS A 43 20.059 3.894 2.962 1.00 0.00 C ATOM 636 ND1 HIS A 43 20.213 4.570 4.149 1.00 0.00 N ATOM 637 CD2 HIS A 43 20.694 2.686 3.086 1.00 0.00 C ATOM 638 CE1 HIS A 43 20.895 3.776 4.987 1.00 0.00 C ATOM 639 NE2 HIS A 43 21.207 2.613 4.385 1.00 0.00 N ATOM 0 H HIS A 43 17.919 5.224 -0.013 1.00 0.00 H new ATOM 0 HA HIS A 43 18.953 2.585 0.734 1.00 0.00 H new ATOM 0 HB2 HIS A 43 20.140 4.769 1.033 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.815 5.336 2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.782 1.929 2.321 1.00 0.00 H new ATOM 0 HE1 HIS A 43 21.157 4.033 6.003 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.718 1.831 4.796 1.00 0.00 H new ATOM 647 N VAL A 44 17.473 2.153 2.847 1.00 0.00 N ATOM 648 CA VAL A 44 16.456 1.676 3.787 1.00 0.00 C ATOM 649 C VAL A 44 15.796 2.835 4.542 1.00 0.00 C ATOM 650 O VAL A 44 14.605 2.774 4.834 1.00 0.00 O ATOM 651 CB VAL A 44 17.052 0.606 4.729 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.106 1.142 5.703 1.00 0.00 C ATOM 653 CG2 VAL A 44 15.951 -0.107 5.524 1.00 0.00 C ATOM 0 H VAL A 44 18.390 1.730 2.994 1.00 0.00 H new ATOM 0 HA VAL A 44 15.657 1.197 3.221 1.00 0.00 H new ATOM 0 HB VAL A 44 17.558 -0.097 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.473 0.327 6.327 1.00 0.00 H new ATOM 0 HG12 VAL A 44 18.936 1.570 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.660 1.910 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.400 -0.854 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.407 0.621 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.263 -0.595 4.834 1.00 0.00 H new ATOM 663 N SER A 45 16.535 3.918 4.791 1.00 0.00 N ATOM 664 CA SER A 45 16.012 5.090 5.469 1.00 0.00 C ATOM 665 C SER A 45 14.787 5.668 4.740 1.00 0.00 C ATOM 666 O SER A 45 13.894 6.207 5.387 1.00 0.00 O ATOM 667 CB SER A 45 17.168 6.089 5.602 1.00 0.00 C ATOM 668 OG SER A 45 16.841 7.245 6.339 1.00 0.00 O ATOM 0 H SER A 45 17.516 4.000 4.524 1.00 0.00 H new ATOM 0 HA SER A 45 15.643 4.835 6.462 1.00 0.00 H new ATOM 0 HB2 SER A 45 18.012 5.592 6.080 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.496 6.386 4.606 1.00 0.00 H new ATOM 0 HG SER A 45 17.622 7.835 6.385 1.00 0.00 H new ATOM 674 N ILE A 46 14.717 5.557 3.411 1.00 0.00 N ATOM 675 CA ILE A 46 13.584 6.062 2.644 1.00 0.00 C ATOM 676 C ILE A 46 12.494 4.987 2.567 1.00 0.00 C ATOM 677 O ILE A 46 11.317 5.335 2.505 1.00 0.00 O ATOM 678 CB ILE A 46 14.002 6.452 1.217 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.453 6.959 1.045 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.032 7.459 0.584 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.811 8.225 1.821 1.00 0.00 C ATOM 0 H ILE A 46 15.441 5.117 2.843 1.00 0.00 H new ATOM 0 HA ILE A 46 13.206 6.950 3.150 1.00 0.00 H new ATOM 0 HB ILE A 46 13.957 5.499 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.134 6.164 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.631 7.143 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.368 7.704 -0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.034 7.023 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.004 8.366 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.851 8.489 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.163 9.042 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.675 8.048 2.888 1.00 0.00 H new ATOM 693 N VAL A 47 12.870 3.698 2.544 1.00 0.00 N ATOM 694 CA VAL A 47 11.923 2.586 2.573 1.00 0.00 C ATOM 695 C VAL A 47 11.008 2.759 3.774 1.00 0.00 C ATOM 696 O VAL A 47 9.801 2.593 3.622 1.00 0.00 O ATOM 697 CB VAL A 47 12.635 1.225 2.666 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.621 0.092 2.826 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.485 0.931 1.420 1.00 0.00 C ATOM 0 H VAL A 47 13.846 3.403 2.505 1.00 0.00 H new ATOM 0 HA VAL A 47 11.354 2.597 1.644 1.00 0.00 H new ATOM 0 HB VAL A 47 13.287 1.280 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.147 -0.861 2.890 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.042 0.248 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.951 0.080 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.969 -0.040 1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.845 0.920 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.245 1.704 1.307 1.00 0.00 H new ATOM 709 N LYS A 48 11.578 3.053 4.947 1.00 0.00 N ATOM 710 CA LYS A 48 10.823 3.243 6.175 1.00 0.00 C ATOM 711 C LYS A 48 9.740 4.277 5.938 1.00 0.00 C ATOM 712 O LYS A 48 8.565 3.943 6.048 1.00 0.00 O ATOM 713 CB LYS A 48 11.757 3.661 7.313 1.00 0.00 C ATOM 714 CG LYS A 48 12.664 2.517 7.749 1.00 0.00 C ATOM 715 CD LYS A 48 13.564 3.050 8.864 1.00 0.00 C ATOM 716 CE LYS A 48 14.327 1.908 9.510 1.00 0.00 C ATOM 717 NZ LYS A 48 13.518 1.148 10.487 1.00 0.00 N ATOM 0 H LYS A 48 12.585 3.165 5.065 1.00 0.00 H new ATOM 0 HA LYS A 48 10.351 2.305 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.366 4.506 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.165 4.000 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.073 1.672 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.262 2.160 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.263 3.782 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.962 3.565 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.679 1.229 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.210 2.306 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.093 0.383 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.202 1.785 11.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.689 0.741 10.009 1.00 0.00 H new ATOM 731 N GLU A 49 10.137 5.492 5.565 1.00 0.00 N ATOM 732 CA GLU A 49 9.230 6.602 5.321 1.00 0.00 C ATOM 733 C GLU A 49 8.131 6.198 4.357 1.00 0.00 C ATOM 734 O GLU A 49 6.953 6.328 4.676 1.00 0.00 O ATOM 735 CB GLU A 49 10.045 7.786 4.780 1.00 0.00 C ATOM 736 CG GLU A 49 10.272 8.865 5.832 1.00 0.00 C ATOM 737 CD GLU A 49 10.643 8.317 7.214 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.777 7.829 7.389 1.00 0.00 O ATOM 739 OE2 GLU A 49 9.770 8.344 8.118 1.00 0.00 O ATOM 0 H GLU A 49 11.118 5.733 5.422 1.00 0.00 H new ATOM 0 HA GLU A 49 8.743 6.895 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.008 7.426 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.527 8.220 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.065 9.530 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.368 9.467 5.922 1.00 0.00 H new ATOM 746 N PHE A 50 8.515 5.684 3.190 1.00 0.00 N ATOM 747 CA PHE A 50 7.569 5.242 2.189 1.00 0.00 C ATOM 748 C PHE A 50 6.573 4.250 2.757 1.00 0.00 C ATOM 749 O PHE A 50 5.383 4.368 2.475 1.00 0.00 O ATOM 750 CB PHE A 50 8.309 4.600 1.018 1.00 0.00 C ATOM 751 CG PHE A 50 8.560 5.531 -0.136 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.463 6.155 -0.751 1.00 0.00 C ATOM 753 CD2 PHE A 50 9.860 5.747 -0.621 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.647 6.935 -1.897 1.00 0.00 C ATOM 755 CE2 PHE A 50 10.047 6.559 -1.748 1.00 0.00 C ATOM 756 CZ PHE A 50 8.935 7.101 -2.415 1.00 0.00 C ATOM 0 H PHE A 50 9.491 5.566 2.920 1.00 0.00 H new ATOM 0 HA PHE A 50 7.020 6.119 1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.264 4.214 1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.733 3.746 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.473 6.032 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.708 5.292 -0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.802 7.405 -2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.045 6.768 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.076 7.650 -3.334 1.00 0.00 H new ATOM 766 N SER A 51 7.064 3.237 3.469 1.00 0.00 N ATOM 767 CA SER A 51 6.226 2.180 3.980 1.00 0.00 C ATOM 768 C SER A 51 5.227 2.790 4.939 1.00 0.00 C ATOM 769 O SER A 51 4.045 2.551 4.772 1.00 0.00 O ATOM 770 CB SER A 51 7.070 1.102 4.645 1.00 0.00 C ATOM 771 OG SER A 51 8.051 0.631 3.743 1.00 0.00 O ATOM 0 H SER A 51 8.052 3.136 3.701 1.00 0.00 H new ATOM 0 HA SER A 51 5.686 1.695 3.167 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.548 1.503 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.434 0.277 4.967 1.00 0.00 H new ATOM 0 HG SER A 51 8.797 1.266 3.710 1.00 0.00 H new ATOM 777 N GLU A 52 5.667 3.600 5.895 1.00 0.00 N ATOM 778 CA GLU A 52 4.779 4.261 6.837 1.00 0.00 C ATOM 779 C GLU A 52 3.736 5.100 6.095 1.00 0.00 C ATOM 780 O GLU A 52 2.546 4.936 6.348 1.00 0.00 O ATOM 781 CB GLU A 52 5.586 5.075 7.850 1.00 0.00 C ATOM 782 CG GLU A 52 6.502 4.155 8.681 1.00 0.00 C ATOM 783 CD GLU A 52 6.968 4.752 10.005 1.00 0.00 C ATOM 784 OE1 GLU A 52 7.151 5.986 10.121 1.00 0.00 O ATOM 785 OE2 GLU A 52 7.256 3.971 10.945 1.00 0.00 O ATOM 0 H GLU A 52 6.654 3.816 6.037 1.00 0.00 H new ATOM 0 HA GLU A 52 4.230 3.509 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.187 5.821 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.909 5.616 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.973 3.224 8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.378 3.900 8.084 1.00 0.00 H new ATOM 792 N PHE A 53 4.132 5.923 5.120 1.00 0.00 N ATOM 793 CA PHE A 53 3.188 6.707 4.331 1.00 0.00 C ATOM 794 C PHE A 53 2.144 5.810 3.652 1.00 0.00 C ATOM 795 O PHE A 53 0.994 6.229 3.479 1.00 0.00 O ATOM 796 CB PHE A 53 3.950 7.554 3.300 1.00 0.00 C ATOM 797 CG PHE A 53 5.005 8.510 3.840 1.00 0.00 C ATOM 798 CD1 PHE A 53 4.865 9.105 5.109 1.00 0.00 C ATOM 799 CD2 PHE A 53 6.145 8.805 3.064 1.00 0.00 C ATOM 800 CE1 PHE A 53 5.844 9.986 5.591 1.00 0.00 C ATOM 801 CE2 PHE A 53 7.123 9.692 3.549 1.00 0.00 C ATOM 802 CZ PHE A 53 6.968 10.288 4.810 1.00 0.00 C ATOM 0 H PHE A 53 5.108 6.061 4.860 1.00 0.00 H new ATOM 0 HA PHE A 53 2.646 7.375 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.434 6.877 2.596 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.222 8.136 2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.999 8.882 5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.268 8.348 2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.731 10.433 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.994 9.915 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.713 10.978 5.178 1.00 0.00 H new ATOM 812 N ILE A 54 2.509 4.588 3.263 1.00 0.00 N ATOM 813 CA ILE A 54 1.585 3.616 2.703 1.00 0.00 C ATOM 814 C ILE A 54 0.695 3.031 3.794 1.00 0.00 C ATOM 815 O ILE A 54 -0.516 2.941 3.592 1.00 0.00 O ATOM 816 CB ILE A 54 2.332 2.521 1.921 1.00 0.00 C ATOM 817 CG1 ILE A 54 3.040 3.139 0.692 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.372 1.432 1.414 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.253 2.336 0.229 1.00 0.00 C ATOM 0 H ILE A 54 3.468 4.246 3.331 1.00 0.00 H new ATOM 0 HA ILE A 54 0.939 4.129 1.990 1.00 0.00 H new ATOM 0 HB ILE A 54 3.055 2.075 2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.328 3.215 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.355 4.154 0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.935 0.676 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.869 0.967 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.630 1.880 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.703 2.823 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.983 2.282 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.940 1.329 -0.045 1.00 0.00 H new ATOM 831 N LEU A 55 1.287 2.578 4.894 1.00 0.00 N ATOM 832 CA LEU A 55 0.645 1.749 5.896 1.00 0.00 C ATOM 833 C LEU A 55 -0.387 2.567 6.653 1.00 0.00 C ATOM 834 O LEU A 55 -1.510 2.106 6.870 1.00 0.00 O ATOM 835 CB LEU A 55 1.689 1.222 6.888 1.00 0.00 C ATOM 836 CG LEU A 55 2.700 0.217 6.328 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.943 0.267 7.215 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.128 -1.205 6.258 1.00 0.00 C ATOM 0 H LEU A 55 2.260 2.788 5.116 1.00 0.00 H new ATOM 0 HA LEU A 55 0.159 0.910 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.238 2.072 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.165 0.754 7.722 1.00 0.00 H new ATOM 0 HG LEU A 55 2.950 0.488 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.685 -0.439 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.361 1.274 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.672 0.002 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.882 -1.881 5.855 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.845 -1.533 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.251 -1.213 5.611 1.00 0.00 H new ATOM 850 N LYS A 56 -0.024 3.798 7.016 1.00 0.00 N ATOM 851 CA LYS A 56 -0.869 4.744 7.736 1.00 0.00 C ATOM 852 C LYS A 56 -2.138 5.086 6.959 1.00 0.00 C ATOM 853 O LYS A 56 -3.077 5.618 7.555 1.00 0.00 O ATOM 854 CB LYS A 56 -0.066 6.030 7.990 1.00 0.00 C ATOM 855 CG LYS A 56 1.167 5.860 8.887 1.00 0.00 C ATOM 856 CD LYS A 56 0.910 5.729 10.386 1.00 0.00 C ATOM 857 CE LYS A 56 2.306 5.557 10.993 1.00 0.00 C ATOM 858 NZ LYS A 56 2.282 5.175 12.413 1.00 0.00 N ATOM 0 H LYS A 56 0.901 4.175 6.808 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.173 4.282 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.255 6.435 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.727 6.769 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.709 4.974 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.824 6.715 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.409 6.612 10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.271 4.874 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.848 4.798 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.859 6.490 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.257 5.075 12.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.791 5.910 12.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.781 4.270 12.521 1.00 0.00 H new ATOM 872 N ARG A 57 -2.204 4.788 5.652 1.00 0.00 N ATOM 873 CA ARG A 57 -3.419 4.960 4.868 1.00 0.00 C ATOM 874 C ARG A 57 -4.550 4.132 5.432 1.00 0.00 C ATOM 875 O ARG A 57 -5.682 4.598 5.422 1.00 0.00 O ATOM 876 CB ARG A 57 -3.175 4.550 3.409 1.00 0.00 C ATOM 877 CG ARG A 57 -4.008 5.380 2.430 1.00 0.00 C ATOM 878 CD ARG A 57 -3.742 6.885 2.498 1.00 0.00 C ATOM 879 NE ARG A 57 -2.324 7.214 2.710 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.794 8.433 2.837 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.528 9.528 2.699 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.506 8.540 3.123 1.00 0.00 N ATOM 0 H ARG A 57 -1.415 4.423 5.118 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.695 6.013 4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.117 4.666 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.416 3.494 3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.809 5.033 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.065 5.200 2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.082 7.350 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.333 7.316 3.306 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.677 6.427 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.524 9.452 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.097 10.447 2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.061 7.701 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.081 9.462 3.224 1.00 0.00 H new ATOM 896 N LEU A 58 -4.264 2.921 5.907 1.00 0.00 N ATOM 897 CA LEU A 58 -5.283 2.011 6.407 1.00 0.00 C ATOM 898 C LEU A 58 -6.017 2.637 7.590 1.00 0.00 C ATOM 899 O LEU A 58 -7.212 2.397 7.755 1.00 0.00 O ATOM 900 CB LEU A 58 -4.659 0.657 6.784 1.00 0.00 C ATOM 901 CG LEU A 58 -4.371 -0.294 5.604 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.665 -0.750 4.926 1.00 0.00 C ATOM 903 CD2 LEU A 58 -3.461 0.276 4.501 1.00 0.00 C ATOM 0 H LEU A 58 -3.317 2.546 5.954 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.013 1.830 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.725 0.842 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.327 0.151 7.481 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.842 -1.121 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.426 -1.419 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.289 -1.275 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.203 0.119 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.323 -0.472 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.922 1.166 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.493 0.538 4.928 1.00 0.00 H new ATOM 915 N ASP A 59 -5.333 3.485 8.361 1.00 0.00 N ATOM 916 CA ASP A 59 -5.896 4.128 9.541 1.00 0.00 C ATOM 917 C ASP A 59 -6.806 5.307 9.224 1.00 0.00 C ATOM 918 O ASP A 59 -7.487 5.814 10.117 1.00 0.00 O ATOM 919 CB ASP A 59 -4.781 4.622 10.465 1.00 0.00 C ATOM 920 CG ASP A 59 -5.208 4.396 11.920 1.00 0.00 C ATOM 921 OD1 ASP A 59 -5.462 3.237 12.314 1.00 0.00 O ATOM 922 OD2 ASP A 59 -5.336 5.366 12.701 1.00 0.00 O ATOM 0 H ASP A 59 -4.364 3.744 8.178 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.501 3.361 10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.854 4.088 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.586 5.680 10.289 1.00 0.00 H new ATOM 927 N ASN A 60 -6.764 5.799 7.983 1.00 0.00 N ATOM 928 CA ASN A 60 -7.573 6.924 7.514 1.00 0.00 C ATOM 929 C ASN A 60 -9.052 6.495 7.466 1.00 0.00 C ATOM 930 O ASN A 60 -9.396 5.354 7.788 1.00 0.00 O ATOM 931 CB ASN A 60 -7.040 7.389 6.146 1.00 0.00 C ATOM 932 CG ASN A 60 -7.304 8.854 5.812 1.00 0.00 C ATOM 933 OD1 ASN A 60 -8.444 9.278 5.628 1.00 0.00 O ATOM 934 ND2 ASN A 60 -6.258 9.639 5.621 1.00 0.00 N ATOM 0 H ASN A 60 -6.153 5.417 7.261 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.504 7.772 8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.965 7.213 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.488 6.769 5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.393 10.604 5.319 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.316 9.280 5.776 1.00 0.00 H new ATOM 941 N LYS A 61 -9.957 7.385 7.069 1.00 0.00 N ATOM 942 CA LYS A 61 -11.369 7.289 7.436 1.00 0.00 C ATOM 943 C LYS A 61 -12.296 7.113 6.235 1.00 0.00 C ATOM 944 O LYS A 61 -13.465 7.494 6.327 1.00 0.00 O ATOM 945 CB LYS A 61 -11.705 8.501 8.322 1.00 0.00 C ATOM 946 CG LYS A 61 -11.005 8.408 9.688 1.00 0.00 C ATOM 947 CD LYS A 61 -11.726 7.431 10.632 1.00 0.00 C ATOM 948 CE LYS A 61 -11.110 7.507 12.027 1.00 0.00 C ATOM 949 NZ LYS A 61 -11.502 8.732 12.751 1.00 0.00 N ATOM 0 H LYS A 61 -9.735 8.191 6.485 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.543 6.377 8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.401 9.418 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.784 8.560 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.974 8.084 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.968 9.396 10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.787 7.674 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.649 6.415 10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.416 6.634 12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.024 7.470 11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.187 8.667 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.059 9.558 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.536 8.835 12.724 1.00 0.00 H new ATOM 963 N SER A 62 -11.827 6.512 5.142 1.00 0.00 N ATOM 964 CA SER A 62 -12.625 6.372 3.927 1.00 0.00 C ATOM 965 C SER A 62 -12.514 4.967 3.342 1.00 0.00 C ATOM 966 O SER A 62 -11.460 4.339 3.438 1.00 0.00 O ATOM 967 CB SER A 62 -12.172 7.435 2.930 1.00 0.00 C ATOM 968 OG SER A 62 -12.286 8.691 3.551 1.00 0.00 O ATOM 0 H SER A 62 -10.891 6.112 5.075 1.00 0.00 H new ATOM 0 HA SER A 62 -13.679 6.520 4.162 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.142 7.254 2.622 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.785 7.398 2.029 1.00 0.00 H new ATOM 0 HG SER A 62 -11.998 9.391 2.928 1.00 0.00 H new ATOM 974 N PRO A 63 -13.544 4.469 2.645 1.00 0.00 N ATOM 975 CA PRO A 63 -13.435 3.253 1.841 1.00 0.00 C ATOM 976 C PRO A 63 -12.383 3.405 0.730 1.00 0.00 C ATOM 977 O PRO A 63 -11.661 2.461 0.408 1.00 0.00 O ATOM 978 CB PRO A 63 -14.843 3.033 1.269 1.00 0.00 C ATOM 979 CG PRO A 63 -15.472 4.420 1.277 1.00 0.00 C ATOM 980 CD PRO A 63 -14.846 5.099 2.478 1.00 0.00 C ATOM 0 HA PRO A 63 -13.102 2.400 2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.803 2.620 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.415 2.333 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.257 4.961 0.356 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.557 4.366 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.745 6.172 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.462 4.969 3.368 1.00 0.00 H new ATOM 988 N ILE A 64 -12.299 4.588 0.123 1.00 0.00 N ATOM 989 CA ILE A 64 -11.549 4.848 -1.105 1.00 0.00 C ATOM 990 C ILE A 64 -10.065 4.796 -0.804 1.00 0.00 C ATOM 991 O ILE A 64 -9.339 3.961 -1.345 1.00 0.00 O ATOM 992 CB ILE A 64 -11.961 6.224 -1.668 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.492 6.282 -1.827 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.276 6.521 -3.002 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.111 7.283 -0.845 1.00 0.00 C ATOM 0 H ILE A 64 -12.767 5.419 0.484 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.771 4.090 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.638 6.988 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.744 6.567 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -13.916 5.292 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.593 7.499 -3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.195 6.518 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.551 5.758 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.192 7.303 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.878 6.982 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.703 8.276 -1.033 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.654 5.654 0.129 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.281 5.814 0.542 1.00 0.00 C ATOM 1009 C VAL A 65 -7.699 4.480 1.001 1.00 0.00 C ATOM 1010 O VAL A 65 -6.490 4.283 0.884 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.227 6.948 1.597 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.521 6.419 3.000 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.877 7.657 1.594 1.00 0.00 C ATOM 0 H VAL A 65 -10.296 6.271 0.627 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.642 6.116 -0.288 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.999 7.667 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.475 7.240 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.516 5.975 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.782 5.664 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.878 8.445 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.089 6.939 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.698 8.094 0.612 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.538 3.558 1.507 1.00 0.00 N ATOM 1024 CA LYS A 66 -8.013 2.247 1.864 1.00 0.00 C ATOM 1025 C LYS A 66 -7.641 1.563 0.557 1.00 0.00 C ATOM 1026 O LYS A 66 -6.467 1.281 0.335 1.00 0.00 O ATOM 1027 CB LYS A 66 -9.021 1.367 2.645 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.749 1.234 4.150 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.769 1.977 5.004 1.00 0.00 C ATOM 1030 CE LYS A 66 -11.189 1.429 5.033 1.00 0.00 C ATOM 1031 NZ LYS A 66 -12.022 2.335 5.843 1.00 0.00 N ATOM 0 H LYS A 66 -9.536 3.694 1.669 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.161 2.378 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.020 1.780 2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.025 0.370 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.753 0.179 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.752 1.616 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.397 2.002 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.813 3.009 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.586 1.352 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.199 0.425 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.859 1.823 6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.471 2.681 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.324 3.142 5.261 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.644 1.227 -0.263 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.490 0.373 -1.438 1.00 0.00 C ATOM 1047 C GLN A 67 -7.360 0.882 -2.343 1.00 0.00 C ATOM 1048 O GLN A 67 -6.581 0.076 -2.852 1.00 0.00 O ATOM 1049 CB GLN A 67 -9.849 0.272 -2.153 1.00 0.00 C ATOM 1050 CG GLN A 67 -9.842 -0.690 -3.361 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.266 -0.080 -4.650 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.151 1.138 -4.793 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -8.900 -0.913 -5.607 1.00 0.00 N ATOM 0 H GLN A 67 -9.602 1.549 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.192 -0.633 -1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.602 -0.061 -1.439 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.147 1.264 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.263 -1.576 -3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.863 -1.021 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.001 -1.919 -5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.516 -0.550 -6.480 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.218 2.204 -2.490 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.143 2.790 -3.279 1.00 0.00 C ATOM 1064 C LYS A 68 -4.756 2.373 -2.777 1.00 0.00 C ATOM 1065 O LYS A 68 -3.888 2.128 -3.619 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.292 4.316 -3.335 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.446 4.742 -4.255 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.395 6.239 -4.584 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.519 6.554 -5.565 1.00 0.00 C ATOM 1070 NZ LYS A 68 -8.362 7.840 -6.262 1.00 0.00 N ATOM 0 H LYS A 68 -7.844 2.889 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.228 2.400 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.466 4.701 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.362 4.760 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.404 4.166 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.397 4.508 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.507 6.831 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.429 6.500 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.576 5.756 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.467 6.557 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.968 7.853 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.638 8.615 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.369 7.962 -6.546 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.540 2.275 -1.460 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.311 1.756 -0.882 1.00 0.00 C ATOM 1086 C ALA A 69 -3.172 0.261 -1.156 1.00 0.00 C ATOM 1087 O ALA A 69 -2.121 -0.165 -1.610 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.261 2.008 0.626 1.00 0.00 C ATOM 0 H ALA A 69 -5.228 2.560 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.481 2.283 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.331 1.609 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.310 3.080 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.106 1.515 1.106 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.207 -0.556 -0.925 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.149 -2.000 -1.084 1.00 0.00 C ATOM 1096 C LEU A 70 -3.563 -2.430 -2.433 1.00 0.00 C ATOM 1097 O LEU A 70 -2.668 -3.280 -2.458 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.556 -2.571 -0.904 1.00 0.00 C ATOM 1099 CG LEU A 70 -5.973 -2.752 0.560 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -6.116 -1.514 1.427 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -7.345 -3.414 0.576 1.00 0.00 C ATOM 0 H LEU A 70 -5.119 -0.219 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.476 -2.395 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.271 -1.911 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.613 -3.535 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.148 -3.322 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.416 -1.807 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.162 -0.988 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.873 -0.856 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.669 -3.556 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.062 -2.779 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.288 -4.382 0.077 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.036 -1.839 -3.539 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.494 -2.130 -4.871 1.00 0.00 C ATOM 1115 C ARG A 71 -2.052 -1.655 -5.029 1.00 0.00 C ATOM 1116 O ARG A 71 -1.258 -2.346 -5.665 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.397 -1.593 -5.997 1.00 0.00 C ATOM 1118 CG ARG A 71 -4.702 -0.086 -5.984 1.00 0.00 C ATOM 1119 CD ARG A 71 -5.761 0.273 -7.039 1.00 0.00 C ATOM 1120 NE ARG A 71 -5.207 0.922 -8.241 1.00 0.00 N ATOM 1121 CZ ARG A 71 -5.197 0.424 -9.488 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -5.405 -0.861 -9.734 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -4.975 1.236 -10.513 1.00 0.00 N ATOM 0 H ARG A 71 -4.794 -1.156 -3.536 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.480 -3.216 -4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.930 -1.837 -6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.344 -2.131 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.054 0.208 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.788 0.475 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.286 -0.635 -7.337 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.500 0.935 -6.588 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.789 1.843 -8.112 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.580 -1.506 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.390 -1.205 -10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.814 2.230 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.966 0.866 -11.464 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.713 -0.489 -4.474 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.357 0.048 -4.479 1.00 0.00 C ATOM 1139 C LEU A 72 0.603 -0.899 -3.750 1.00 0.00 C ATOM 1140 O LEU A 72 1.725 -1.076 -4.224 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.361 1.455 -3.846 1.00 0.00 C ATOM 1142 CG LEU A 72 1.030 2.069 -3.624 1.00 0.00 C ATOM 1143 CD1 LEU A 72 1.785 2.360 -4.924 1.00 0.00 C ATOM 1144 CD2 LEU A 72 0.886 3.338 -2.786 1.00 0.00 C ATOM 0 H LEU A 72 -2.386 0.115 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.003 0.134 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.939 2.123 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.877 1.405 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 72 1.632 1.330 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.758 2.792 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.923 1.433 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.212 3.063 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.869 3.780 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.250 4.050 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.436 3.090 -1.824 1.00 0.00 H new ATOM 1156 N ILE A 73 0.176 -1.485 -2.621 1.00 0.00 N ATOM 1157 CA ILE A 73 1.020 -2.310 -1.760 1.00 0.00 C ATOM 1158 C ILE A 73 1.504 -3.480 -2.597 1.00 0.00 C ATOM 1159 O ILE A 73 2.659 -3.510 -3.006 1.00 0.00 O ATOM 1160 CB ILE A 73 0.324 -2.715 -0.436 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.130 -1.489 0.479 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.192 -3.739 0.329 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.942 -1.663 1.562 1.00 0.00 C ATOM 0 H ILE A 73 -0.781 -1.394 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 73 1.882 -1.741 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.644 -3.146 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.080 -1.258 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.132 -0.630 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.694 -4.017 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.334 -4.627 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.162 -3.296 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.009 -0.752 2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.905 -1.861 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.674 -2.499 2.208 1.00 0.00 H new ATOM 1175 N LYS A 74 0.616 -4.437 -2.862 1.00 0.00 N ATOM 1176 CA LYS A 74 0.951 -5.674 -3.560 1.00 0.00 C ATOM 1177 C LYS A 74 1.746 -5.429 -4.837 1.00 0.00 C ATOM 1178 O LYS A 74 2.715 -6.148 -5.069 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.310 -6.515 -3.815 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.444 -5.730 -4.494 1.00 0.00 C ATOM 1181 CD LYS A 74 -1.771 -6.316 -5.869 1.00 0.00 C ATOM 1182 CE LYS A 74 -2.794 -5.463 -6.617 1.00 0.00 C ATOM 1183 NZ LYS A 74 -3.122 -6.086 -7.909 1.00 0.00 N ATOM 0 H LYS A 74 -0.366 -4.373 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 74 1.608 -6.248 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.047 -7.370 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.671 -6.911 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.334 -5.752 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.154 -4.685 -4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.858 -6.391 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.158 -7.328 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.697 -5.354 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.396 -4.461 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.818 -5.499 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.259 -6.167 -8.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.520 -7.033 -7.747 1.00 0.00 H new ATOM 1197 N TYR A 75 1.382 -4.430 -5.645 1.00 0.00 N ATOM 1198 CA TYR A 75 2.112 -4.134 -6.868 1.00 0.00 C ATOM 1199 C TYR A 75 3.576 -3.803 -6.569 1.00 0.00 C ATOM 1200 O TYR A 75 4.467 -4.375 -7.192 1.00 0.00 O ATOM 1201 CB TYR A 75 1.414 -2.999 -7.624 1.00 0.00 C ATOM 1202 CG TYR A 75 2.050 -2.588 -8.941 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.696 -3.525 -9.775 1.00 0.00 C ATOM 1204 CD2 TYR A 75 1.956 -1.245 -9.353 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.228 -3.128 -11.013 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.458 -0.848 -10.602 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.088 -1.790 -11.442 1.00 0.00 C ATOM 1208 OH TYR A 75 3.488 -1.412 -12.683 1.00 0.00 O ATOM 0 H TYR A 75 0.586 -3.816 -5.470 1.00 0.00 H new ATOM 0 HA TYR A 75 2.113 -5.019 -7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.384 -3.298 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.375 -2.125 -6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.782 -4.554 -9.459 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.495 -0.516 -8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.743 -3.845 -11.635 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.362 0.180 -10.920 1.00 0.00 H new ATOM 0 HH TYR A 75 2.744 -1.516 -13.312 1.00 0.00 H new ATOM 1218 N ALA A 76 3.832 -2.883 -5.634 1.00 0.00 N ATOM 1219 CA ALA A 76 5.191 -2.479 -5.318 1.00 0.00 C ATOM 1220 C ALA A 76 5.972 -3.588 -4.613 1.00 0.00 C ATOM 1221 O ALA A 76 7.142 -3.763 -4.946 1.00 0.00 O ATOM 1222 CB ALA A 76 5.177 -1.223 -4.452 1.00 0.00 C ATOM 0 H ALA A 76 3.113 -2.409 -5.088 1.00 0.00 H new ATOM 0 HA ALA A 76 5.695 -2.269 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.201 -0.929 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.680 -0.416 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.640 -1.426 -3.525 1.00 0.00 H new ATOM 1228 N VAL A 77 5.342 -4.318 -3.678 1.00 0.00 N ATOM 1229 CA VAL A 77 5.957 -5.331 -2.811 1.00 0.00 C ATOM 1230 C VAL A 77 6.920 -6.225 -3.603 1.00 0.00 C ATOM 1231 O VAL A 77 8.069 -6.416 -3.197 1.00 0.00 O ATOM 1232 CB VAL A 77 4.861 -6.143 -2.075 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.470 -7.359 -1.372 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.180 -5.382 -0.931 1.00 0.00 C ATOM 0 H VAL A 77 4.343 -4.211 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 77 6.556 -4.830 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 77 4.148 -6.387 -2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.684 -7.915 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.950 -8.003 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.210 -7.026 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.427 -6.019 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.925 -5.101 -0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.704 -4.484 -1.324 1.00 0.00 H new ATOM 1244 N GLY A 78 6.463 -6.739 -4.743 1.00 0.00 N ATOM 1245 CA GLY A 78 7.213 -7.672 -5.570 1.00 0.00 C ATOM 1246 C GLY A 78 8.337 -7.037 -6.406 1.00 0.00 C ATOM 1247 O GLY A 78 8.793 -7.657 -7.372 1.00 0.00 O ATOM 0 H GLY A 78 5.543 -6.512 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.647 -8.438 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.520 -8.176 -6.243 1.00 0.00 H new ATOM 1251 N LYS A 79 8.738 -5.784 -6.137 1.00 0.00 N ATOM 1252 CA LYS A 79 9.673 -5.004 -6.975 1.00 0.00 C ATOM 1253 C LYS A 79 10.669 -4.211 -6.142 1.00 0.00 C ATOM 1254 O LYS A 79 11.798 -3.963 -6.556 1.00 0.00 O ATOM 1255 CB LYS A 79 8.902 -4.013 -7.866 1.00 0.00 C ATOM 1256 CG LYS A 79 7.910 -4.714 -8.796 1.00 0.00 C ATOM 1257 CD LYS A 79 7.220 -3.742 -9.765 1.00 0.00 C ATOM 1258 CE LYS A 79 6.987 -4.339 -11.159 1.00 0.00 C ATOM 1259 NZ LYS A 79 8.195 -4.250 -12.015 1.00 0.00 N ATOM 0 H LYS A 79 8.417 -5.272 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 79 10.216 -5.727 -7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.366 -3.304 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.610 -3.438 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.433 -5.481 -9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.154 -5.223 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.262 -3.438 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.827 -2.842 -9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.690 -5.383 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.162 -3.817 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.992 -4.665 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.465 -3.252 -12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.977 -4.770 -11.568 1.00 0.00 H new ATOM 1273 N SER A 80 10.233 -3.787 -4.969 1.00 0.00 N ATOM 1274 CA SER A 80 10.818 -2.816 -4.063 1.00 0.00 C ATOM 1275 C SER A 80 12.057 -3.327 -3.297 1.00 0.00 C ATOM 1276 O SER A 80 12.230 -3.009 -2.118 1.00 0.00 O ATOM 1277 CB SER A 80 9.646 -2.428 -3.156 1.00 0.00 C ATOM 1278 OG SER A 80 8.938 -3.576 -2.741 1.00 0.00 O ATOM 0 H SER A 80 9.363 -4.157 -4.587 1.00 0.00 H new ATOM 0 HA SER A 80 11.236 -1.961 -4.594 1.00 0.00 H new ATOM 0 HB2 SER A 80 10.017 -1.888 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.975 -1.753 -3.688 1.00 0.00 H new ATOM 0 HG SER A 80 8.195 -3.310 -2.160 1.00 0.00 H new ATOM 1284 N GLY A 81 12.911 -4.136 -3.931 1.00 0.00 N ATOM 1285 CA GLY A 81 14.080 -4.724 -3.285 1.00 0.00 C ATOM 1286 C GLY A 81 13.641 -5.755 -2.244 1.00 0.00 C ATOM 1287 O GLY A 81 12.649 -6.461 -2.459 1.00 0.00 O ATOM 0 H GLY A 81 12.807 -4.400 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.718 -5.198 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.673 -3.944 -2.808 1.00 0.00 H new ATOM 1291 N SER A 82 14.374 -5.893 -1.137 1.00 0.00 N ATOM 1292 CA SER A 82 14.004 -6.778 -0.032 1.00 0.00 C ATOM 1293 C SER A 82 13.688 -6.004 1.248 1.00 0.00 C ATOM 1294 O SER A 82 12.987 -6.534 2.104 1.00 0.00 O ATOM 1295 CB SER A 82 15.075 -7.849 0.197 1.00 0.00 C ATOM 1296 OG SER A 82 16.314 -7.288 0.580 1.00 0.00 O ATOM 0 H SER A 82 15.247 -5.390 -0.982 1.00 0.00 H new ATOM 0 HA SER A 82 13.083 -7.287 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 82 14.737 -8.540 0.969 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.207 -8.430 -0.716 1.00 0.00 H new ATOM 0 HG SER A 82 16.969 -8.004 0.718 1.00 0.00 H new ATOM 1302 N GLU A 83 14.148 -4.756 1.383 1.00 0.00 N ATOM 1303 CA GLU A 83 13.885 -3.927 2.555 1.00 0.00 C ATOM 1304 C GLU A 83 12.373 -3.717 2.713 1.00 0.00 C ATOM 1305 O GLU A 83 11.810 -3.966 3.782 1.00 0.00 O ATOM 1306 CB GLU A 83 14.591 -2.566 2.408 1.00 0.00 C ATOM 1307 CG GLU A 83 16.039 -2.444 2.898 1.00 0.00 C ATOM 1308 CD GLU A 83 17.073 -3.312 2.186 1.00 0.00 C ATOM 1309 OE1 GLU A 83 17.649 -2.876 1.156 1.00 0.00 O ATOM 1310 OE2 GLU A 83 17.344 -4.429 2.687 1.00 0.00 O ATOM 0 H GLU A 83 14.717 -4.293 0.675 1.00 0.00 H new ATOM 0 HA GLU A 83 14.271 -4.431 3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.573 -2.294 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.996 -1.823 2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.345 -1.402 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.062 -2.688 3.960 1.00 0.00 H new ATOM 1317 N PHE A 84 11.718 -3.235 1.651 1.00 0.00 N ATOM 1318 CA PHE A 84 10.334 -2.776 1.702 1.00 0.00 C ATOM 1319 C PHE A 84 9.374 -3.889 2.067 1.00 0.00 C ATOM 1320 O PHE A 84 8.462 -3.674 2.870 1.00 0.00 O ATOM 1321 CB PHE A 84 9.947 -2.192 0.347 1.00 0.00 C ATOM 1322 CG PHE A 84 8.480 -1.818 0.256 1.00 0.00 C ATOM 1323 CD1 PHE A 84 8.026 -0.600 0.785 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.554 -2.723 -0.290 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.659 -0.284 0.747 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.194 -2.398 -0.351 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.737 -1.183 0.182 1.00 0.00 C ATOM 0 H PHE A 84 12.141 -3.154 0.726 1.00 0.00 H new ATOM 0 HA PHE A 84 10.264 -2.016 2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.554 -1.308 0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.180 -2.916 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.729 0.094 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.894 -3.677 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.313 0.655 1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.496 -3.083 -0.809 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.685 -0.940 0.158 1.00 0.00 H new ATOM 1337 N ARG A 85 9.559 -5.072 1.471 1.00 0.00 N ATOM 1338 CA ARG A 85 8.608 -6.161 1.684 1.00 0.00 C ATOM 1339 C ARG A 85 8.490 -6.439 3.186 1.00 0.00 C ATOM 1340 O ARG A 85 7.406 -6.714 3.691 1.00 0.00 O ATOM 1341 CB ARG A 85 8.955 -7.439 0.881 1.00 0.00 C ATOM 1342 CG ARG A 85 10.410 -7.901 1.046 1.00 0.00 C ATOM 1343 CD ARG A 85 10.751 -9.234 0.373 1.00 0.00 C ATOM 1344 NE ARG A 85 12.062 -9.723 0.847 1.00 0.00 N ATOM 1345 CZ ARG A 85 12.615 -10.909 0.558 1.00 0.00 C ATOM 1346 NH1 ARG A 85 12.095 -11.711 -0.362 1.00 0.00 N ATOM 1347 NH2 ARG A 85 13.699 -11.298 1.212 1.00 0.00 N ATOM 0 H ARG A 85 10.339 -5.294 0.853 1.00 0.00 H new ATOM 0 HA ARG A 85 7.639 -5.843 1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.291 -8.244 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.759 -7.257 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.067 -7.130 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.630 -7.983 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.978 -9.970 0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.771 -9.109 -0.710 1.00 0.00 H new ATOM 0 HE ARG A 85 12.597 -9.099 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.255 -11.430 -0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.535 -12.609 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.106 -10.697 1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.127 -12.199 0.999 1.00 0.00 H new ATOM 1361 N ARG A 86 9.597 -6.336 3.926 1.00 0.00 N ATOM 1362 CA ARG A 86 9.631 -6.637 5.348 1.00 0.00 C ATOM 1363 C ARG A 86 8.999 -5.547 6.196 1.00 0.00 C ATOM 1364 O ARG A 86 8.383 -5.874 7.208 1.00 0.00 O ATOM 1365 CB ARG A 86 11.079 -6.883 5.771 1.00 0.00 C ATOM 1366 CG ARG A 86 11.750 -8.019 4.986 1.00 0.00 C ATOM 1367 CD ARG A 86 10.892 -9.291 4.926 1.00 0.00 C ATOM 1368 NE ARG A 86 11.699 -10.487 4.685 1.00 0.00 N ATOM 1369 CZ ARG A 86 12.455 -11.120 5.583 1.00 0.00 C ATOM 1370 NH1 ARG A 86 12.444 -10.756 6.860 1.00 0.00 N ATOM 1371 NH2 ARG A 86 13.207 -12.142 5.207 1.00 0.00 N ATOM 0 H ARG A 86 10.497 -6.039 3.548 1.00 0.00 H new ATOM 0 HA ARG A 86 9.035 -7.534 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.652 -5.966 5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.106 -7.119 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 86 11.959 -7.679 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.709 -8.255 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.347 -9.405 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.149 -9.190 4.135 1.00 0.00 H new ATOM 0 HE ARG A 86 11.682 -10.873 3.741 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.852 -9.983 7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.027 -11.249 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.207 -12.444 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.786 -12.628 5.892 1.00 0.00 H new ATOM 1385 N GLU A 87 9.081 -4.281 5.794 1.00 0.00 N ATOM 1386 CA GLU A 87 8.346 -3.217 6.481 1.00 0.00 C ATOM 1387 C GLU A 87 6.834 -3.433 6.327 1.00 0.00 C ATOM 1388 O GLU A 87 6.072 -3.272 7.284 1.00 0.00 O ATOM 1389 CB GLU A 87 8.791 -1.856 5.930 1.00 0.00 C ATOM 1390 CG GLU A 87 8.600 -0.679 6.894 1.00 0.00 C ATOM 1391 CD GLU A 87 9.245 -0.894 8.263 1.00 0.00 C ATOM 1392 OE1 GLU A 87 10.469 -0.674 8.415 1.00 0.00 O ATOM 1393 OE2 GLU A 87 8.529 -1.274 9.213 1.00 0.00 O ATOM 0 H GLU A 87 9.643 -3.966 5.003 1.00 0.00 H new ATOM 0 HA GLU A 87 8.568 -3.240 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.845 -1.917 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.236 -1.651 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.019 0.220 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.533 -0.501 7.029 1.00 0.00 H new ATOM 1400 N MET A 88 6.397 -3.897 5.150 1.00 0.00 N ATOM 1401 CA MET A 88 5.016 -4.320 4.955 1.00 0.00 C ATOM 1402 C MET A 88 4.681 -5.481 5.898 1.00 0.00 C ATOM 1403 O MET A 88 3.658 -5.409 6.572 1.00 0.00 O ATOM 1404 CB MET A 88 4.735 -4.671 3.491 1.00 0.00 C ATOM 1405 CG MET A 88 4.867 -3.465 2.563 1.00 0.00 C ATOM 1406 SD MET A 88 3.529 -2.251 2.709 1.00 0.00 S ATOM 1407 CE MET A 88 4.452 -0.912 3.491 1.00 0.00 C ATOM 0 H MET A 88 6.985 -3.987 4.321 1.00 0.00 H new ATOM 0 HA MET A 88 4.362 -3.484 5.203 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.426 -5.450 3.169 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.729 -5.082 3.406 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.815 -2.968 2.768 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.908 -3.819 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.959 0.038 3.285 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.489 -1.076 4.568 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.466 -0.888 3.093 1.00 0.00 H new ATOM 1417 N GLN A 89 5.528 -6.517 6.008 1.00 0.00 N ATOM 1418 CA GLN A 89 5.311 -7.629 6.942 1.00 0.00 C ATOM 1419 C GLN A 89 5.151 -7.130 8.373 1.00 0.00 C ATOM 1420 O GLN A 89 4.185 -7.511 9.041 1.00 0.00 O ATOM 1421 CB GLN A 89 6.448 -8.658 6.901 1.00 0.00 C ATOM 1422 CG GLN A 89 6.534 -9.420 5.584 1.00 0.00 C ATOM 1423 CD GLN A 89 7.564 -10.537 5.637 1.00 0.00 C ATOM 1424 OE1 GLN A 89 8.229 -10.761 6.655 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.705 -11.250 4.540 1.00 0.00 N ATOM 0 H GLN A 89 6.379 -6.606 5.453 1.00 0.00 H new ATOM 0 HA GLN A 89 4.391 -8.115 6.618 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.395 -8.148 7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.312 -9.370 7.715 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.557 -9.839 5.344 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.790 -8.728 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.140 -11.038 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.379 -12.015 4.512 1.00 0.00 H new ATOM 1434 N ARG A 90 6.080 -6.284 8.834 1.00 0.00 N ATOM 1435 CA ARG A 90 6.090 -5.693 10.167 1.00 0.00 C ATOM 1436 C ARG A 90 4.699 -5.167 10.513 1.00 0.00 C ATOM 1437 O ARG A 90 4.102 -5.589 11.506 1.00 0.00 O ATOM 1438 CB ARG A 90 7.178 -4.601 10.245 1.00 0.00 C ATOM 1439 CG ARG A 90 8.561 -5.148 10.637 1.00 0.00 C ATOM 1440 CD ARG A 90 9.667 -4.086 10.497 1.00 0.00 C ATOM 1441 NE ARG A 90 10.699 -4.192 11.551 1.00 0.00 N ATOM 1442 CZ ARG A 90 10.636 -3.600 12.753 1.00 0.00 C ATOM 1443 NH1 ARG A 90 9.643 -2.769 13.044 1.00 0.00 N ATOM 1444 NH2 ARG A 90 11.554 -3.850 13.677 1.00 0.00 N ATOM 0 H ARG A 90 6.872 -5.985 8.264 1.00 0.00 H new ATOM 0 HA ARG A 90 6.339 -6.449 10.912 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.253 -4.102 9.279 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.874 -3.846 10.970 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.530 -5.505 11.667 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.802 -6.006 10.009 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.140 -4.187 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.218 -3.093 10.533 1.00 0.00 H new ATOM 0 HE ARG A 90 11.522 -4.759 11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.920 -2.576 12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.603 -2.323 13.961 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.316 -4.497 13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.498 -3.395 14.588 1.00 0.00 H new ATOM 1458 N ASN A 91 4.146 -4.305 9.665 1.00 0.00 N ATOM 1459 CA ASN A 91 2.929 -3.557 9.976 1.00 0.00 C ATOM 1460 C ASN A 91 1.676 -4.148 9.306 1.00 0.00 C ATOM 1461 O ASN A 91 0.616 -3.525 9.284 1.00 0.00 O ATOM 1462 CB ASN A 91 3.202 -2.075 9.676 1.00 0.00 C ATOM 1463 CG ASN A 91 4.232 -1.504 10.655 1.00 0.00 C ATOM 1464 OD1 ASN A 91 5.135 -0.661 10.190 1.00 0.00 O flip ATOM 1465 ND2 ASN A 91 4.285 -1.874 11.829 1.00 0.00 N flip ATOM 0 H ASN A 91 4.529 -4.104 8.741 1.00 0.00 H new ATOM 0 HA ASN A 91 2.683 -3.643 11.034 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.566 -1.967 8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.274 -1.508 9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.588 -2.525 12.190 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.026 -1.529 12.440 1.00 0.00 H new ATOM 1472 N SER A 92 1.766 -5.375 8.783 1.00 0.00 N ATOM 1473 CA SER A 92 0.748 -6.017 7.951 1.00 0.00 C ATOM 1474 C SER A 92 -0.615 -6.210 8.619 1.00 0.00 C ATOM 1475 O SER A 92 -1.625 -6.320 7.915 1.00 0.00 O ATOM 1476 CB SER A 92 1.271 -7.377 7.487 1.00 0.00 C ATOM 1477 OG SER A 92 1.620 -8.211 8.574 1.00 0.00 O ATOM 0 H SER A 92 2.581 -5.969 8.934 1.00 0.00 H new ATOM 0 HA SER A 92 0.574 -5.334 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.510 -7.870 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.142 -7.231 6.848 1.00 0.00 H new ATOM 0 HG SER A 92 2.592 -8.196 8.699 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.677 -6.265 9.953 1.00 0.00 N ATOM 1484 CA VAL A 93 -1.934 -6.443 10.670 1.00 0.00 C ATOM 1485 C VAL A 93 -2.932 -5.356 10.303 1.00 0.00 C ATOM 1486 O VAL A 93 -4.125 -5.635 10.221 1.00 0.00 O ATOM 1487 CB VAL A 93 -1.690 -6.483 12.189 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.033 -5.220 12.775 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -2.970 -6.804 12.964 1.00 0.00 C ATOM 0 H VAL A 93 0.140 -6.187 10.559 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.364 -7.399 10.371 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.969 -7.291 12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.902 -5.343 13.850 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.061 -5.065 12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.670 -4.356 12.584 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.754 -6.823 14.032 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.721 -6.041 12.759 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.349 -7.778 12.654 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.451 -4.140 10.039 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.311 -3.012 9.759 1.00 0.00 C ATOM 1501 C ALA A 94 -4.190 -3.270 8.532 1.00 0.00 C ATOM 1502 O ALA A 94 -5.323 -2.794 8.469 1.00 0.00 O ATOM 1503 CB ALA A 94 -2.430 -1.790 9.522 1.00 0.00 C ATOM 0 H ALA A 94 -1.455 -3.920 10.016 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.976 -2.848 10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.058 -0.925 9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.833 -1.594 10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.769 -1.977 8.676 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.667 -4.024 7.564 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.345 -4.427 6.344 1.00 0.00 C ATOM 1511 C VAL A 95 -5.245 -5.631 6.645 1.00 0.00 C ATOM 1512 O VAL A 95 -6.416 -5.630 6.270 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.282 -4.741 5.273 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.927 -5.121 3.936 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.309 -3.570 5.039 1.00 0.00 C ATOM 0 H VAL A 95 -2.714 -4.384 7.618 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.983 -3.630 5.962 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.716 -5.587 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.148 -5.336 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.551 -6.004 4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.541 -4.294 3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.583 -3.848 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.867 -2.694 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.788 -3.339 5.968 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.720 -6.656 7.331 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.476 -7.853 7.721 1.00 0.00 C ATOM 1527 C ARG A 96 -6.762 -7.483 8.458 1.00 0.00 C ATOM 1528 O ARG A 96 -7.824 -8.022 8.170 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.600 -8.744 8.613 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.737 -9.691 7.793 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.905 -10.634 8.657 1.00 0.00 C ATOM 1532 NE ARG A 96 -1.669 -9.991 9.142 1.00 0.00 N ATOM 1533 CZ ARG A 96 -0.969 -10.383 10.212 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -1.506 -11.164 11.140 1.00 0.00 N ATOM 1535 NH2 ARG A 96 0.278 -9.967 10.377 1.00 0.00 N ATOM 0 H ARG A 96 -3.746 -6.677 7.634 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.752 -8.394 6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.961 -8.118 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.235 -9.321 9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.376 -10.279 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -3.072 -9.109 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.500 -10.966 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.649 -11.523 8.081 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.322 -9.186 8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.472 -11.478 11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.953 -11.451 11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.704 -9.348 9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.812 -10.266 11.193 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.676 -6.519 9.370 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.772 -6.011 10.188 1.00 0.00 C ATOM 1551 C ASN A 97 -8.947 -5.456 9.357 1.00 0.00 C ATOM 1552 O ASN A 97 -10.051 -5.275 9.875 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.159 -4.953 11.121 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.164 -4.270 12.036 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -8.281 -3.050 12.016 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.833 -5.016 12.899 1.00 0.00 N ATOM 0 H ASN A 97 -5.794 -6.047 9.568 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.222 -6.823 10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.391 -5.426 11.733 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.662 -4.195 10.515 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.465 -4.578 13.569 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.717 -6.029 12.894 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.746 -5.199 8.060 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.731 -4.625 7.140 1.00 0.00 C ATOM 1565 C LEU A 98 -10.346 -5.651 6.193 1.00 0.00 C ATOM 1566 O LEU A 98 -11.289 -5.302 5.483 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.099 -3.472 6.377 1.00 0.00 C ATOM 1568 CG LEU A 98 -9.233 -2.147 7.134 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -10.633 -1.528 7.108 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -8.712 -2.115 8.573 1.00 0.00 C ATOM 0 H LEU A 98 -7.854 -5.394 7.605 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.562 -4.254 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.044 -3.686 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.571 -3.381 5.399 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.556 -1.535 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.628 -0.594 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.924 -1.330 6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.345 -2.219 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.867 -1.122 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.250 -2.850 9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.648 -2.350 8.580 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.909 -6.912 6.263 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.566 -8.065 5.626 1.00 0.00 C ATOM 1584 C PHE A 99 -12.078 -8.033 5.879 1.00 0.00 C ATOM 1585 O PHE A 99 -12.875 -8.390 5.015 1.00 0.00 O ATOM 1586 CB PHE A 99 -10.024 -9.392 6.193 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.748 -9.962 5.595 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.679 -9.137 5.203 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.612 -11.358 5.475 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.496 -9.702 4.699 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.418 -11.924 4.995 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.357 -11.096 4.604 1.00 0.00 C ATOM 0 H PHE A 99 -9.066 -7.169 6.777 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.358 -8.002 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.858 -9.254 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.806 -10.144 6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.768 -8.064 5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.434 -12.001 5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.688 -9.060 4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.318 -12.997 4.928 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.439 -11.527 4.232 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.480 -7.580 7.072 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.860 -7.585 7.531 1.00 0.00 C ATOM 1604 C HIS A 100 -14.425 -6.169 7.652 1.00 0.00 C ATOM 1605 O HIS A 100 -15.292 -5.903 8.489 1.00 0.00 O ATOM 1606 CB HIS A 100 -13.964 -8.457 8.791 1.00 0.00 C ATOM 1607 CG HIS A 100 -13.469 -9.862 8.533 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -13.934 -10.713 7.554 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -12.369 -10.451 9.097 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -13.126 -11.780 7.515 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -12.177 -11.688 8.466 1.00 0.00 N ATOM 0 H HIS A 100 -11.832 -7.191 7.757 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.511 -8.045 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.382 -8.007 9.596 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -15.000 -8.491 9.127 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.759 -10.037 9.886 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.222 -12.600 6.818 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.461 -12.381 8.684 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.947 -5.251 6.806 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.496 -3.913 6.684 1.00 0.00 C ATOM 1621 C TYR A 101 -15.929 -3.971 6.169 1.00 0.00 C ATOM 1622 O TYR A 101 -16.373 -4.984 5.624 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.616 -3.067 5.760 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.994 -1.597 5.748 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -14.061 -0.874 6.955 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.353 -0.969 4.542 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.492 0.460 6.957 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.738 0.381 4.534 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.823 1.098 5.744 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.099 2.425 5.710 1.00 0.00 O ATOM 0 H TYR A 101 -13.159 -5.426 6.183 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.511 -3.445 7.668 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.576 -3.165 6.071 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.683 -3.460 4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.779 -1.349 7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.332 -1.528 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -14.571 1.000 7.889 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.969 0.870 3.599 1.00 0.00 H new ATOM 0 HH TYR A 101 -15.305 2.693 4.790 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.652 -2.870 6.376 1.00 0.00 N ATOM 1641 CA LYS A 102 -18.062 -2.729 6.042 1.00 0.00 C ATOM 1642 C LYS A 102 -18.476 -1.278 5.828 1.00 0.00 C ATOM 1643 O LYS A 102 -19.324 -1.005 4.986 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.922 -3.346 7.146 1.00 0.00 C ATOM 1645 CG LYS A 102 -18.477 -2.990 8.574 1.00 0.00 C ATOM 1646 CD LYS A 102 -19.620 -3.177 9.567 1.00 0.00 C ATOM 1647 CE LYS A 102 -19.046 -3.225 10.979 1.00 0.00 C ATOM 1648 NZ LYS A 102 -20.100 -3.238 12.004 1.00 0.00 N ATOM 0 H LYS A 102 -16.256 -2.028 6.794 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.218 -3.254 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.954 -3.022 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.911 -4.430 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -17.634 -3.617 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.131 -1.957 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.334 -2.358 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.162 -4.097 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.425 -4.114 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.399 -2.362 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -19.666 -3.271 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.678 -2.378 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.703 -4.075 11.871 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.839 -0.334 6.515 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.081 1.086 6.312 1.00 0.00 C ATOM 1664 C GLY A 103 -19.534 1.436 6.601 1.00 0.00 C ATOM 1665 O GLY A 103 -20.110 0.906 7.553 1.00 0.00 O ATOM 0 H GLY A 103 -17.139 -0.536 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.427 1.667 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.834 1.358 5.286 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.104 2.326 5.795 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.535 2.567 5.632 1.00 0.00 C ATOM 1671 C HIS A 104 -21.775 2.591 4.114 1.00 0.00 C ATOM 1672 O HIS A 104 -20.833 2.910 3.375 1.00 0.00 O ATOM 1673 CB HIS A 104 -21.937 3.915 6.256 1.00 0.00 C ATOM 1674 CG HIS A 104 -21.923 4.000 7.762 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -22.975 4.425 8.542 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -20.849 3.810 8.589 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -22.560 4.445 9.816 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -21.258 4.107 9.890 1.00 0.00 N ATOM 0 H HIS A 104 -19.544 2.937 5.200 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.129 1.800 6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -21.268 4.682 5.866 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -22.941 4.163 5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -19.863 3.488 8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.181 4.696 10.663 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -20.683 4.074 10.732 1.00 0.00 H new ATOM 1686 N PRO A 105 -22.986 2.297 3.618 1.00 0.00 N ATOM 1687 CA PRO A 105 -23.259 2.282 2.187 1.00 0.00 C ATOM 1688 C PRO A 105 -23.226 3.692 1.591 1.00 0.00 C ATOM 1689 O PRO A 105 -23.095 4.700 2.292 1.00 0.00 O ATOM 1690 CB PRO A 105 -24.639 1.639 2.033 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.318 1.976 3.363 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.168 1.921 4.371 1.00 0.00 C ATOM 0 HA PRO A 105 -22.497 1.720 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -25.185 2.051 1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -24.569 0.563 1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -25.784 2.961 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.102 1.259 3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.340 2.605 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.064 0.923 4.796 1.00 0.00 H new ATOM 1700 N ASP A 106 -23.373 3.762 0.273 1.00 0.00 N ATOM 1701 CA ASP A 106 -23.164 4.950 -0.546 1.00 0.00 C ATOM 1702 C ASP A 106 -24.393 5.202 -1.433 1.00 0.00 C ATOM 1703 O ASP A 106 -25.103 4.245 -1.756 1.00 0.00 O ATOM 1704 CB ASP A 106 -21.911 4.741 -1.410 1.00 0.00 C ATOM 1705 CG ASP A 106 -20.708 5.509 -0.879 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -20.316 5.315 0.295 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -20.158 6.341 -1.626 1.00 0.00 O ATOM 0 H ASP A 106 -23.655 2.953 -0.280 1.00 0.00 H new ATOM 0 HA ASP A 106 -23.023 5.821 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -21.672 3.678 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -22.120 5.058 -2.432 1.00 0.00 H new ATOM 1712 N PRO A 107 -24.640 6.449 -1.872 1.00 0.00 N ATOM 1713 CA PRO A 107 -25.871 6.849 -2.571 1.00 0.00 C ATOM 1714 C PRO A 107 -26.029 6.255 -3.969 1.00 0.00 C ATOM 1715 O PRO A 107 -27.139 6.225 -4.509 1.00 0.00 O ATOM 1716 CB PRO A 107 -25.809 8.377 -2.692 1.00 0.00 C ATOM 1717 CG PRO A 107 -24.348 8.729 -2.437 1.00 0.00 C ATOM 1718 CD PRO A 107 -23.839 7.613 -1.541 1.00 0.00 C ATOM 0 HA PRO A 107 -26.723 6.480 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -26.129 8.709 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -26.464 8.858 -1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -23.783 8.779 -3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -24.252 9.701 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -22.780 7.422 -1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -23.946 7.876 -0.489 1.00 0.00 H new ATOM 1726 N LEU A 108 -24.925 5.817 -4.572 1.00 0.00 N ATOM 1727 CA LEU A 108 -24.843 5.371 -5.957 1.00 0.00 C ATOM 1728 C LEU A 108 -23.954 4.164 -6.142 1.00 0.00 C ATOM 1729 O LEU A 108 -24.135 3.446 -7.126 1.00 0.00 O ATOM 1730 CB LEU A 108 -24.330 6.483 -6.874 1.00 0.00 C ATOM 1731 CG LEU A 108 -23.271 7.460 -6.338 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -21.850 6.913 -6.265 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -23.271 8.672 -7.258 1.00 0.00 C ATOM 0 H LEU A 108 -24.029 5.762 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 108 -25.863 5.096 -6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.920 6.011 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -25.191 7.072 -7.191 1.00 0.00 H new ATOM 0 HG LEU A 108 -23.548 7.685 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -21.184 7.682 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -21.828 6.045 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -21.521 6.621 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -22.530 9.392 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -23.025 8.359 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -24.258 9.135 -7.250 1.00 0.00 H new ATOM 1745 N LYS A 109 -23.018 3.940 -5.219 1.00 0.00 N ATOM 1746 CA LYS A 109 -22.177 2.758 -5.252 1.00 0.00 C ATOM 1747 C LYS A 109 -22.700 1.644 -4.340 1.00 0.00 C ATOM 1748 O LYS A 109 -22.137 0.551 -4.358 1.00 0.00 O ATOM 1749 CB LYS A 109 -20.723 3.122 -4.921 1.00 0.00 C ATOM 1750 CG LYS A 109 -20.041 3.815 -6.111 1.00 0.00 C ATOM 1751 CD LYS A 109 -19.602 2.883 -7.254 1.00 0.00 C ATOM 1752 CE LYS A 109 -18.338 2.092 -6.924 1.00 0.00 C ATOM 1753 NZ LYS A 109 -17.103 2.879 -7.112 1.00 0.00 N ATOM 0 H LYS A 109 -22.828 4.569 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 109 -22.209 2.363 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -20.698 3.778 -4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -20.171 2.221 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -20.725 4.561 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -19.165 4.350 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -20.411 2.188 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -19.430 3.475 -8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -18.390 1.748 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -18.296 1.204 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.320 2.424 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -16.873 2.927 -8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.245 3.841 -6.744 1.00 0.00 H new ATOM 1767 N GLY A 110 -23.740 1.908 -3.543 1.00 0.00 N ATOM 1768 CA GLY A 110 -24.256 0.983 -2.549 1.00 0.00 C ATOM 1769 C GLY A 110 -23.132 0.603 -1.595 1.00 0.00 C ATOM 1770 O GLY A 110 -22.547 1.472 -0.962 1.00 0.00 O ATOM 0 H GLY A 110 -24.251 2.790 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.078 1.441 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.655 0.092 -3.035 1.00 0.00 H new ATOM 1774 N ASP A 111 -22.800 -0.674 -1.478 1.00 0.00 N ATOM 1775 CA ASP A 111 -21.713 -1.157 -0.621 1.00 0.00 C ATOM 1776 C ASP A 111 -20.422 -1.447 -1.396 1.00 0.00 C ATOM 1777 O ASP A 111 -19.488 -2.003 -0.821 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.159 -2.375 0.202 1.00 0.00 C ATOM 1779 CG ASP A 111 -22.104 -3.696 -0.566 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -22.584 -3.764 -1.722 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -21.713 -4.723 0.036 1.00 0.00 O ATOM 0 H ASP A 111 -23.282 -1.419 -1.981 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.477 -0.346 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -21.528 -2.454 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.178 -2.211 0.551 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.343 -1.124 -2.693 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.201 -1.504 -3.519 1.00 0.00 C ATOM 1788 C ALA A 112 -17.889 -0.887 -3.036 1.00 0.00 C ATOM 1789 O ALA A 112 -16.849 -1.544 -3.117 1.00 0.00 O ATOM 1790 CB ALA A 112 -19.446 -1.092 -4.969 1.00 0.00 C ATOM 0 H ALA A 112 -21.062 -0.598 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.103 -2.587 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.589 -1.379 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -20.341 -1.590 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -19.583 -0.012 -5.022 1.00 0.00 H new ATOM 1796 N LEU A 113 -17.923 0.373 -2.592 1.00 0.00 N ATOM 1797 CA LEU A 113 -16.739 1.153 -2.249 1.00 0.00 C ATOM 1798 C LEU A 113 -16.070 0.549 -1.019 1.00 0.00 C ATOM 1799 O LEU A 113 -14.846 0.397 -0.985 1.00 0.00 O ATOM 1800 CB LEU A 113 -17.130 2.629 -2.005 1.00 0.00 C ATOM 1801 CG LEU A 113 -16.180 3.686 -2.577 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -16.138 3.688 -4.103 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -16.714 5.052 -2.135 1.00 0.00 C ATOM 0 H LEU A 113 -18.794 0.886 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.029 1.126 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -18.121 2.795 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.211 2.788 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.175 3.469 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -15.448 4.458 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -15.802 2.714 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -17.135 3.893 -4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.066 5.838 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -17.723 5.191 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.734 5.100 -1.046 1.00 0.00 H new ATOM 1815 N ASN A 114 -16.858 0.215 0.010 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.345 -0.463 1.197 1.00 0.00 C ATOM 1817 C ASN A 114 -16.030 -1.921 0.906 1.00 0.00 C ATOM 1818 O ASN A 114 -14.987 -2.391 1.356 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.302 -0.365 2.403 1.00 0.00 C ATOM 1820 CG ASN A 114 -18.720 -0.844 2.107 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -19.575 -0.036 1.774 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -19.010 -2.129 2.206 1.00 0.00 N ATOM 0 H ASN A 114 -17.859 0.407 0.040 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.425 0.056 1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -16.895 -0.952 3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -17.342 0.671 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.955 -2.456 2.004 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -18.289 -2.795 2.485 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.870 -2.636 0.153 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.630 -4.043 -0.132 1.00 0.00 C ATOM 1831 C LYS A 115 -15.304 -4.204 -0.859 1.00 0.00 C ATOM 1832 O LYS A 115 -14.553 -5.100 -0.498 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.820 -4.631 -0.897 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.658 -6.124 -1.245 1.00 0.00 C ATOM 1835 CD LYS A 115 -17.169 -6.410 -2.671 1.00 0.00 C ATOM 1836 CE LYS A 115 -18.143 -5.880 -3.725 1.00 0.00 C ATOM 1837 NZ LYS A 115 -19.394 -6.661 -3.818 1.00 0.00 N ATOM 0 H LYS A 115 -17.720 -2.260 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.547 -4.609 0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.723 -4.502 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.963 -4.066 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.957 -6.571 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.617 -6.621 -1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.191 -5.952 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.041 -7.484 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.388 -4.843 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -17.650 -5.882 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.007 -6.248 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.171 -7.646 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.886 -6.639 -2.902 1.00 0.00 H new ATOM 1851 N ALA A 116 -14.963 -3.305 -1.787 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.685 -3.335 -2.480 1.00 0.00 C ATOM 1853 C ALA A 116 -12.499 -3.374 -1.508 1.00 0.00 C ATOM 1854 O ALA A 116 -11.513 -4.038 -1.807 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.562 -2.127 -3.408 1.00 0.00 C ATOM 0 H ALA A 116 -15.570 -2.538 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.656 -4.253 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.601 -2.159 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.367 -2.149 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.630 -1.210 -2.823 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.557 -2.695 -0.357 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.513 -2.794 0.666 1.00 0.00 C ATOM 1863 C VAL A 117 -11.417 -4.231 1.177 1.00 0.00 C ATOM 1864 O VAL A 117 -10.310 -4.718 1.397 1.00 0.00 O ATOM 1865 CB VAL A 117 -11.801 -1.849 1.851 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -10.682 -1.895 2.902 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -11.994 -0.399 1.396 1.00 0.00 C ATOM 0 H VAL A 117 -13.322 -2.067 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.568 -2.500 0.209 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.728 -2.206 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.923 -1.216 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.588 -2.910 3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.740 -1.592 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.194 0.231 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.090 -0.051 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.835 -0.343 0.705 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.566 -4.839 1.493 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.626 -6.035 2.317 1.00 0.00 C ATOM 1879 C ARG A 118 -11.944 -7.168 1.547 1.00 0.00 C ATOM 1880 O ARG A 118 -11.050 -7.825 2.069 1.00 0.00 O ATOM 1881 CB ARG A 118 -14.091 -6.270 2.787 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.841 -7.378 2.037 1.00 0.00 C ATOM 1883 CD ARG A 118 -16.356 -7.439 2.229 1.00 0.00 C ATOM 1884 NE ARG A 118 -16.907 -8.499 1.372 1.00 0.00 N ATOM 1885 CZ ARG A 118 -18.189 -8.652 1.031 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -19.163 -8.154 1.783 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -18.483 -9.279 -0.097 1.00 0.00 N ATOM 0 H ARG A 118 -13.479 -4.509 1.180 1.00 0.00 H new ATOM 0 HA ARG A 118 -12.073 -5.951 3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -14.082 -6.513 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.646 -5.338 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -14.638 -7.264 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -14.422 -8.337 2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -16.595 -7.638 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.806 -6.479 1.976 1.00 0.00 H new ATOM 0 HE ARG A 118 -16.247 -9.183 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -18.938 -7.644 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -20.137 -8.281 1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -17.735 -9.637 -0.691 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -19.457 -9.404 -0.372 1.00 0.00 H new ATOM 1901 N GLU A 119 -12.295 -7.313 0.269 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.826 -8.394 -0.579 1.00 0.00 C ATOM 1903 C GLU A 119 -10.369 -8.126 -0.962 1.00 0.00 C ATOM 1904 O GLU A 119 -9.536 -9.031 -0.964 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.678 -8.498 -1.858 1.00 0.00 C ATOM 1906 CG GLU A 119 -14.193 -8.292 -1.709 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.933 -9.398 -0.951 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -14.544 -9.753 0.178 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -16.034 -9.811 -1.386 1.00 0.00 O ATOM 0 H GLU A 119 -12.925 -6.668 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.910 -9.333 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -12.306 -7.764 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.512 -9.482 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.366 -7.345 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.630 -8.201 -2.703 1.00 0.00 H new ATOM 1916 N THR A 120 -10.038 -6.885 -1.335 1.00 0.00 N ATOM 1917 CA THR A 120 -8.706 -6.551 -1.835 1.00 0.00 C ATOM 1918 C THR A 120 -7.658 -6.699 -0.726 1.00 0.00 C ATOM 1919 O THR A 120 -6.485 -6.905 -1.029 1.00 0.00 O ATOM 1920 CB THR A 120 -8.723 -5.153 -2.468 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.797 -5.111 -3.389 1.00 0.00 O ATOM 1922 CG2 THR A 120 -7.456 -4.771 -3.235 1.00 0.00 C ATOM 0 H THR A 120 -10.680 -6.094 -1.298 1.00 0.00 H new ATOM 0 HA THR A 120 -8.420 -7.253 -2.618 1.00 0.00 H new ATOM 0 HB THR A 120 -8.813 -4.448 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.633 -4.932 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.567 -3.767 -3.644 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.601 -4.796 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.296 -5.478 -4.049 1.00 0.00 H new ATOM 1930 N ALA A 121 -8.040 -6.625 0.555 1.00 0.00 N ATOM 1931 CA ALA A 121 -7.070 -6.762 1.628 1.00 0.00 C ATOM 1932 C ALA A 121 -6.421 -8.152 1.588 1.00 0.00 C ATOM 1933 O ALA A 121 -5.242 -8.275 1.915 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.750 -6.452 2.962 1.00 0.00 C ATOM 0 H ALA A 121 -9.001 -6.473 0.862 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.259 -6.045 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.027 -6.553 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -8.136 -5.433 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.573 -7.149 3.122 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.152 -9.170 1.120 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.623 -10.509 0.900 1.00 0.00 C ATOM 1942 C HIS A 122 -5.491 -10.482 -0.137 1.00 0.00 C ATOM 1943 O HIS A 122 -4.428 -11.062 0.092 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.749 -11.436 0.419 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.797 -11.738 1.458 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -8.885 -12.900 2.190 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.857 -10.946 1.802 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -9.972 -12.806 2.971 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.616 -11.646 2.742 1.00 0.00 N ATOM 0 H HIS A 122 -8.140 -9.080 0.882 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.220 -10.883 1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.233 -10.981 -0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.310 -12.375 0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -10.069 -9.959 1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -10.286 -13.555 3.683 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.489 -11.338 3.172 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.712 -9.815 -1.276 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.726 -9.669 -2.349 1.00 0.00 C ATOM 1959 C GLU A 123 -3.467 -8.979 -1.832 1.00 0.00 C ATOM 1960 O GLU A 123 -2.357 -9.347 -2.218 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.317 -8.848 -3.508 1.00 0.00 C ATOM 1962 CG GLU A 123 -6.140 -9.700 -4.472 1.00 0.00 C ATOM 1963 CD GLU A 123 -5.239 -10.454 -5.448 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -4.647 -9.802 -6.337 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -5.115 -11.694 -5.351 1.00 0.00 O ATOM 0 H GLU A 123 -6.599 -9.354 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.465 -10.665 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.945 -8.055 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.508 -8.365 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.745 -10.410 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.829 -9.063 -5.027 1.00 0.00 H new ATOM 1972 N THR A 124 -3.615 -8.002 -0.940 1.00 0.00 N ATOM 1973 CA THR A 124 -2.464 -7.362 -0.342 1.00 0.00 C ATOM 1974 C THR A 124 -1.632 -8.367 0.465 1.00 0.00 C ATOM 1975 O THR A 124 -0.426 -8.458 0.239 1.00 0.00 O ATOM 1976 CB THR A 124 -2.897 -6.143 0.474 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.654 -5.244 -0.319 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.646 -5.423 0.966 1.00 0.00 C ATOM 0 H THR A 124 -4.516 -7.644 -0.623 1.00 0.00 H new ATOM 0 HA THR A 124 -1.808 -6.995 -1.132 1.00 0.00 H new ATOM 0 HB THR A 124 -3.514 -6.478 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 124 -3.052 -4.735 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 124 -1.935 -4.550 1.551 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.059 -6.098 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.049 -5.106 0.111 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.236 -9.099 1.405 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.493 -10.007 2.284 1.00 0.00 C ATOM 1988 C ILE A 125 -0.803 -11.114 1.484 1.00 0.00 C ATOM 1989 O ILE A 125 0.299 -11.529 1.857 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.422 -10.558 3.385 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.988 -9.418 4.254 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.737 -11.589 4.297 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.965 -8.447 4.846 1.00 0.00 C ATOM 0 H ILE A 125 -3.241 -9.080 1.577 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.697 -9.449 2.778 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.231 -11.065 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.694 -8.846 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.554 -9.861 5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.445 -11.937 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.398 -12.435 3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.881 -11.127 4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.481 -7.690 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.271 -8.994 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.413 -7.964 4.040 1.00 0.00 H new ATOM 2005 N SER A 126 -1.394 -11.520 0.358 1.00 0.00 N ATOM 2006 CA SER A 126 -0.764 -12.439 -0.576 1.00 0.00 C ATOM 2007 C SER A 126 0.660 -11.967 -0.924 1.00 0.00 C ATOM 2008 O SER A 126 1.591 -12.770 -0.864 1.00 0.00 O ATOM 2009 CB SER A 126 -1.661 -12.607 -1.809 1.00 0.00 C ATOM 2010 OG SER A 126 -1.109 -13.508 -2.736 1.00 0.00 O ATOM 0 H SER A 126 -2.325 -11.217 0.073 1.00 0.00 H new ATOM 0 HA SER A 126 -0.653 -13.421 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.644 -12.962 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.808 -11.638 -2.287 1.00 0.00 H new ATOM 0 HG SER A 126 -1.708 -13.591 -3.507 1.00 0.00 H new ATOM 2016 N ALA A 127 0.841 -10.681 -1.246 1.00 0.00 N ATOM 2017 CA ALA A 127 2.126 -10.129 -1.652 1.00 0.00 C ATOM 2018 C ALA A 127 3.050 -9.923 -0.459 1.00 0.00 C ATOM 2019 O ALA A 127 4.232 -10.254 -0.561 1.00 0.00 O ATOM 2020 CB ALA A 127 1.885 -8.801 -2.361 1.00 0.00 C ATOM 0 H ALA A 127 0.088 -9.993 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 127 2.614 -10.835 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.839 -8.376 -2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.259 -8.965 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.384 -8.111 -1.682 1.00 0.00 H new ATOM 2026 N ILE A 128 2.537 -9.378 0.655 1.00 0.00 N ATOM 2027 CA ILE A 128 3.346 -9.043 1.831 1.00 0.00 C ATOM 2028 C ILE A 128 4.224 -10.237 2.256 1.00 0.00 C ATOM 2029 O ILE A 128 5.381 -10.056 2.643 1.00 0.00 O ATOM 2030 CB ILE A 128 2.429 -8.558 2.986 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.741 -7.210 2.660 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.241 -8.448 4.280 1.00 0.00 C ATOM 2033 CD1 ILE A 128 1.019 -6.534 3.844 1.00 0.00 C ATOM 0 H ILE A 128 1.547 -9.158 0.763 1.00 0.00 H new ATOM 0 HA ILE A 128 4.022 -8.228 1.574 1.00 0.00 H new ATOM 0 HB ILE A 128 1.637 -9.296 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.493 -6.522 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 128 1.018 -7.374 1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.594 -8.107 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.655 -9.424 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.053 -7.734 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.571 -5.598 3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.239 -7.196 4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.736 -6.330 4.639 1.00 0.00 H new ATOM 2045 N PHE A 129 3.671 -11.450 2.207 1.00 0.00 N ATOM 2046 CA PHE A 129 4.347 -12.668 2.636 1.00 0.00 C ATOM 2047 C PHE A 129 4.690 -13.573 1.452 1.00 0.00 C ATOM 2048 O PHE A 129 4.967 -14.756 1.667 1.00 0.00 O ATOM 2049 CB PHE A 129 3.500 -13.365 3.705 1.00 0.00 C ATOM 2050 CG PHE A 129 3.316 -12.540 4.963 1.00 0.00 C ATOM 2051 CD1 PHE A 129 4.366 -12.420 5.895 1.00 0.00 C ATOM 2052 CD2 PHE A 129 2.095 -11.885 5.201 1.00 0.00 C ATOM 2053 CE1 PHE A 129 4.180 -11.683 7.076 1.00 0.00 C ATOM 2054 CE2 PHE A 129 1.919 -11.127 6.371 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.955 -11.038 7.316 1.00 0.00 C ATOM 0 H PHE A 129 2.725 -11.613 1.862 1.00 0.00 H new ATOM 0 HA PHE A 129 5.307 -12.412 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.521 -13.598 3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.969 -14.313 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.316 -12.896 5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 129 1.291 -11.965 4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 129 4.979 -11.612 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 129 0.986 -10.612 6.544 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.810 -10.474 8.226 1.00 0.00 H new ATOM 2065 N SER A 130 4.679 -13.035 0.227 1.00 0.00 N ATOM 2066 CA SER A 130 5.084 -13.763 -0.961 1.00 0.00 C ATOM 2067 C SER A 130 6.582 -14.112 -0.887 1.00 0.00 C ATOM 2068 O SER A 130 7.287 -13.742 0.058 1.00 0.00 O ATOM 2069 CB SER A 130 4.708 -12.987 -2.222 1.00 0.00 C ATOM 2070 OG SER A 130 4.566 -13.847 -3.341 1.00 0.00 O ATOM 0 H SER A 130 4.386 -12.076 0.041 1.00 0.00 H new ATOM 0 HA SER A 130 4.544 -14.708 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 130 3.775 -12.450 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.473 -12.239 -2.432 1.00 0.00 H new ATOM 0 HG SER A 130 4.324 -13.319 -4.130 1.00 0.00 H new