USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 643 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 93 CYS SG : rot -152:sc= 0.623 USER MOD Set 1.2: A 96 CYS SG : rot 132:sc= 0.478 USER MOD Set 1.3: A 117 CYS SG : rot 68:sc= -0.608 USER MOD Set 1.4: A 120 CYS SG : rot 38:sc= -3.74! USER MOD Set 2.1: A 106 SER OG : rot -132:sc= 0.304 USER MOD Set 2.2: A 109 GLN : amide:sc= -1.28 K(o=-0.97,f=-7.4!) USER MOD Set 3.1: A 49 LYS NZ :NH3+ -160:sc= -0.141 (180deg=-0.656) USER MOD Set 3.2: A 53 SER OG : rot 160:sc= 0 USER MOD Set 4.1: A 42 CYS SG : rot 153:sc= 1.03 USER MOD Set 4.2: A 45 CYS SG : rot -43:sc= -0.301 USER MOD Set 4.3: A 80 CYS SG : rot -158:sc= 1.64 USER MOD Set 4.4: A 83 CYS SG : rot 81:sc= -0.882 USER MOD Single : A 41 MET CE :methyl 162:sc= -0.0327 (180deg=-0.487) USER MOD Single : A 43 MET CE :methyl -159:sc= -0.021 (180deg=-0.51) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= -1.75 (180deg=-1.78) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0891) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.62! C(o=-2.6!,f=-1.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -90:sc= 0.742 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -24:sc= 0.18 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 98 GLN : amide:sc= -0.0475 K(o=-0.047,f=-1.9!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0301 K(o=-0.03,f=-1.9!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc=-0.00333 X(o=-0.0033,f=-0.37) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 122 HIS : no HD1:sc= -0.81 K(o=-0.81,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 6.591 20.110 -11.504 1.00 0.00 N ATOM 88 CA ASP A 37 6.210 18.694 -11.514 1.00 0.00 C ATOM 89 C ASP A 37 6.533 18.059 -12.860 1.00 0.00 C ATOM 90 O ASP A 37 6.037 16.978 -13.184 1.00 0.00 O ATOM 91 CB ASP A 37 4.713 18.559 -11.223 1.00 0.00 C ATOM 92 CG ASP A 37 4.408 19.080 -9.822 1.00 0.00 C ATOM 93 OD1 ASP A 37 5.279 18.980 -8.973 1.00 0.00 O ATOM 94 OD2 ASP A 37 3.312 19.574 -9.621 1.00 0.00 O1- ATOM 0 HA ASP A 37 6.779 18.176 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.138 19.118 -11.962 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.410 17.515 -11.306 1.00 0.00 H new ATOM 99 N ALA A 38 7.362 18.739 -13.641 1.00 0.00 N ATOM 100 CA ALA A 38 7.741 18.233 -14.955 1.00 0.00 C ATOM 101 C ALA A 38 8.469 16.896 -14.826 1.00 0.00 C ATOM 102 O ALA A 38 8.690 16.413 -13.719 1.00 0.00 O ATOM 103 CB ALA A 38 8.637 19.249 -15.685 1.00 0.00 C ATOM 0 H ALA A 38 7.782 19.634 -13.391 1.00 0.00 H new ATOM 0 HA ALA A 38 6.832 18.083 -15.537 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.911 18.855 -16.664 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.097 20.187 -15.809 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.539 19.425 -15.100 1.00 0.00 H new ATOM 109 N LEU A 39 8.850 16.313 -15.962 1.00 0.00 N ATOM 110 CA LEU A 39 9.575 15.038 -15.964 1.00 0.00 C ATOM 111 C LEU A 39 10.711 15.081 -16.972 1.00 0.00 C ATOM 112 O LEU A 39 10.490 15.088 -18.184 1.00 0.00 O ATOM 113 CB LEU A 39 8.629 13.891 -16.307 1.00 0.00 C ATOM 114 CG LEU A 39 7.638 13.670 -15.154 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.492 12.774 -15.637 1.00 0.00 C ATOM 116 CD2 LEU A 39 8.343 13.009 -13.948 1.00 0.00 C ATOM 0 H LEU A 39 8.671 16.699 -16.889 1.00 0.00 H new ATOM 0 HA LEU A 39 9.987 14.874 -14.968 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.087 14.117 -17.226 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.199 12.980 -16.488 1.00 0.00 H new ATOM 0 HG LEU A 39 7.245 14.636 -14.837 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.786 12.615 -14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.981 13.255 -16.471 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.893 11.814 -15.963 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.624 12.861 -13.142 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.753 12.045 -14.250 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.150 13.654 -13.600 1.00 0.00 H new ATOM 128 N ILE A 40 11.936 15.111 -16.455 1.00 0.00 N ATOM 129 CA ILE A 40 13.131 15.157 -17.305 1.00 0.00 C ATOM 130 C ILE A 40 13.797 13.791 -17.361 1.00 0.00 C ATOM 131 O ILE A 40 13.794 13.043 -16.382 1.00 0.00 O ATOM 132 CB ILE A 40 14.129 16.193 -16.779 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.470 17.585 -16.751 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.367 16.225 -17.679 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.979 18.007 -18.149 1.00 0.00 C ATOM 0 H ILE A 40 12.131 15.104 -15.454 1.00 0.00 H new ATOM 0 HA ILE A 40 12.819 15.444 -18.309 1.00 0.00 H new ATOM 0 HB ILE A 40 14.429 15.918 -15.768 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.630 17.577 -16.057 1.00 0.00 H new ATOM 0 HG13 ILE A 40 14.184 18.319 -16.378 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.073 16.964 -17.300 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.838 15.242 -17.685 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.072 16.492 -18.694 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.520 18.994 -18.091 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.824 18.040 -18.837 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.245 17.286 -18.510 1.00 0.00 H new ATOM 147 N MET A 41 14.368 13.475 -18.517 1.00 0.00 N ATOM 148 CA MET A 41 15.040 12.198 -18.707 1.00 0.00 C ATOM 149 C MET A 41 16.442 12.240 -18.122 1.00 0.00 C ATOM 150 O MET A 41 17.130 13.259 -18.193 1.00 0.00 O ATOM 151 CB MET A 41 15.114 11.863 -20.209 1.00 0.00 C ATOM 152 CG MET A 41 13.815 11.193 -20.656 1.00 0.00 C ATOM 153 SD MET A 41 13.747 11.145 -22.465 1.00 0.00 S ATOM 154 CE MET A 41 15.057 9.921 -22.714 1.00 0.00 C ATOM 0 H MET A 41 14.379 14.085 -19.335 1.00 0.00 H new ATOM 0 HA MET A 41 14.469 11.426 -18.191 1.00 0.00 H new ATOM 0 HB2 MET A 41 15.282 12.773 -20.786 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.959 11.203 -20.402 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.758 10.182 -20.253 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.958 11.741 -20.264 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.977 9.501 -23.717 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.029 10.400 -22.598 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.955 9.124 -21.978 1.00 0.00 H new ATOM 164 N CYS A 42 16.857 11.120 -17.548 1.00 0.00 N ATOM 165 CA CYS A 42 18.189 11.028 -16.957 1.00 0.00 C ATOM 166 C CYS A 42 19.226 10.703 -18.031 1.00 0.00 C ATOM 167 O CYS A 42 19.151 9.672 -18.697 1.00 0.00 O ATOM 168 CB CYS A 42 18.207 9.954 -15.869 1.00 0.00 C ATOM 169 SG CYS A 42 19.852 9.883 -15.120 1.00 0.00 S ATOM 0 H CYS A 42 16.299 10.269 -17.478 1.00 0.00 H new ATOM 0 HA CYS A 42 18.439 11.990 -16.510 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.459 10.179 -15.109 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.947 8.985 -16.295 1.00 0.00 H new ATOM 0 HG CYS A 42 19.755 9.440 -13.902 1.00 0.00 H new ATOM 174 N MET A 43 20.195 11.591 -18.205 1.00 0.00 N ATOM 175 CA MET A 43 21.228 11.384 -19.214 1.00 0.00 C ATOM 176 C MET A 43 21.906 10.027 -19.035 1.00 0.00 C ATOM 177 O MET A 43 22.755 9.642 -19.838 1.00 0.00 O ATOM 178 CB MET A 43 22.284 12.489 -19.115 1.00 0.00 C ATOM 179 CG MET A 43 21.591 13.836 -18.923 1.00 0.00 C ATOM 180 SD MET A 43 22.751 15.175 -19.289 1.00 0.00 S ATOM 181 CE MET A 43 23.860 14.906 -17.886 1.00 0.00 C ATOM 0 H MET A 43 20.289 12.453 -17.668 1.00 0.00 H new ATOM 0 HA MET A 43 20.751 11.412 -20.194 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.956 12.291 -18.280 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.894 12.507 -20.018 1.00 0.00 H new ATOM 0 HG2 MET A 43 20.722 13.905 -19.577 1.00 0.00 H new ATOM 0 HG3 MET A 43 21.227 13.926 -17.899 1.00 0.00 H new ATOM 0 HE1 MET A 43 24.426 15.816 -17.690 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.275 14.646 -17.004 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.548 14.093 -18.117 1.00 0.00 H new ATOM 191 N ARG A 44 21.535 9.307 -17.975 1.00 0.00 N ATOM 192 CA ARG A 44 22.124 7.993 -17.692 1.00 0.00 C ATOM 193 C ARG A 44 21.086 6.882 -17.855 1.00 0.00 C ATOM 194 O ARG A 44 20.995 6.248 -18.907 1.00 0.00 O ATOM 195 CB ARG A 44 22.684 7.975 -16.252 1.00 0.00 C ATOM 196 CG ARG A 44 24.178 8.301 -16.245 1.00 0.00 C ATOM 197 CD ARG A 44 24.397 9.708 -16.793 1.00 0.00 C ATOM 198 NE ARG A 44 25.777 10.118 -16.580 1.00 0.00 N ATOM 199 CZ ARG A 44 26.342 11.054 -17.332 1.00 0.00 C ATOM 200 NH1 ARG A 44 25.661 11.622 -18.289 1.00 0.00 N ATOM 201 NH2 ARG A 44 27.579 11.403 -17.114 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.832 9.608 -17.300 1.00 0.00 H new ATOM 0 HA ARG A 44 22.931 7.816 -18.403 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.147 8.699 -15.639 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.519 6.994 -15.805 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.571 8.229 -15.231 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.722 7.575 -16.850 1.00 0.00 H new ATOM 0 HD2 ARG A 44 24.162 9.733 -17.857 1.00 0.00 H new ATOM 0 HD3 ARG A 44 23.721 10.408 -16.301 1.00 0.00 H new ATOM 0 HE ARG A 44 26.321 9.677 -15.838 1.00 0.00 H new ATOM 0 HH11 ARG A 44 24.694 11.347 -18.459 1.00 0.00 H new ATOM 0 HH12 ARG A 44 26.096 12.341 -18.867 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.111 10.957 -16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.015 12.122 -17.691 1.00 0.00 H new ATOM 215 N CYS A 45 20.322 6.637 -16.799 1.00 0.00 N ATOM 216 CA CYS A 45 19.315 5.586 -16.828 1.00 0.00 C ATOM 217 C CYS A 45 18.062 6.052 -17.562 1.00 0.00 C ATOM 218 O CYS A 45 17.097 5.300 -17.692 1.00 0.00 O ATOM 219 CB CYS A 45 18.964 5.163 -15.401 1.00 0.00 C ATOM 220 SG CYS A 45 18.222 6.551 -14.512 1.00 0.00 S ATOM 0 H CYS A 45 20.380 7.148 -15.918 1.00 0.00 H new ATOM 0 HA CYS A 45 19.724 4.731 -17.365 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.272 4.321 -15.422 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.861 4.825 -14.882 1.00 0.00 H new ATOM 0 HG CYS A 45 18.892 7.636 -14.764 1.00 0.00 H new ATOM 225 N ARG A 46 18.083 7.291 -18.055 1.00 0.00 N ATOM 226 CA ARG A 46 16.937 7.823 -18.793 1.00 0.00 C ATOM 227 C ARG A 46 15.628 7.493 -18.093 1.00 0.00 C ATOM 228 O ARG A 46 14.658 7.079 -18.730 1.00 0.00 O ATOM 229 CB ARG A 46 16.934 7.246 -20.204 1.00 0.00 C ATOM 230 CG ARG A 46 18.120 7.814 -20.991 1.00 0.00 C ATOM 231 CD ARG A 46 18.168 7.168 -22.376 1.00 0.00 C ATOM 232 NE ARG A 46 18.595 5.777 -22.266 1.00 0.00 N ATOM 233 CZ ARG A 46 18.536 4.954 -23.308 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.082 5.384 -24.453 1.00 0.00 N ATOM 235 NH2 ARG A 46 18.932 3.717 -23.186 1.00 0.00 N1+ ATOM 0 H ARG A 46 18.867 7.936 -17.959 1.00 0.00 H new ATOM 0 HA ARG A 46 17.027 8.908 -18.837 1.00 0.00 H new ATOM 0 HB2 ARG A 46 16.998 6.159 -20.164 1.00 0.00 H new ATOM 0 HB3 ARG A 46 15.999 7.492 -20.707 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.023 8.896 -21.085 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.050 7.623 -20.456 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.185 7.219 -22.844 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.856 7.718 -23.019 1.00 0.00 H new ATOM 0 HE ARG A 46 18.945 5.430 -21.373 1.00 0.00 H new ATOM 0 HH11 ARG A 46 17.773 6.351 -24.548 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.036 4.753 -25.253 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.287 3.381 -22.291 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.887 3.086 -23.986 1.00 0.00 H new ATOM 249 N LYS A 47 15.599 7.696 -16.777 1.00 0.00 N ATOM 250 CA LYS A 47 14.394 7.442 -15.992 1.00 0.00 C ATOM 251 C LYS A 47 13.685 8.756 -15.682 1.00 0.00 C ATOM 252 O LYS A 47 14.078 9.486 -14.769 1.00 0.00 O ATOM 253 CB LYS A 47 14.749 6.723 -14.685 1.00 0.00 C ATOM 254 CG LYS A 47 15.059 5.253 -14.974 1.00 0.00 C ATOM 255 CD LYS A 47 15.398 4.539 -13.665 1.00 0.00 C ATOM 256 CE LYS A 47 15.481 3.030 -13.914 1.00 0.00 C ATOM 257 NZ LYS A 47 16.606 2.736 -14.841 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.393 8.034 -16.234 1.00 0.00 H new ATOM 0 HA LYS A 47 13.729 6.805 -16.575 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.610 7.201 -14.218 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.921 6.798 -13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.202 4.776 -15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.894 5.176 -15.670 1.00 0.00 H new ATOM 0 HD2 LYS A 47 16.346 4.906 -13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.638 4.753 -12.914 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.627 2.504 -12.971 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.544 2.670 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.607 1.723 -15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.492 3.292 -15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.506 2.987 -14.385 1.00 0.00 H new ATOM 271 N VAL A 48 12.636 9.042 -16.444 1.00 0.00 N ATOM 272 CA VAL A 48 11.862 10.267 -16.249 1.00 0.00 C ATOM 273 C VAL A 48 11.533 10.431 -14.772 1.00 0.00 C ATOM 274 O VAL A 48 10.949 9.544 -14.152 1.00 0.00 O ATOM 275 CB VAL A 48 10.560 10.204 -17.078 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.772 10.852 -18.449 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.156 8.739 -17.273 1.00 0.00 C ATOM 0 H VAL A 48 12.301 8.446 -17.201 1.00 0.00 H new ATOM 0 HA VAL A 48 12.450 11.122 -16.582 1.00 0.00 H new ATOM 0 HB VAL A 48 9.775 10.742 -16.546 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.847 10.801 -19.023 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.060 11.895 -18.318 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.560 10.322 -18.984 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.237 8.690 -17.858 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.950 8.210 -17.799 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.993 8.274 -16.301 1.00 0.00 H new ATOM 287 N LYS A 49 11.917 11.576 -14.222 1.00 0.00 N ATOM 288 CA LYS A 49 11.679 11.866 -12.812 1.00 0.00 C ATOM 289 C LYS A 49 11.314 13.330 -12.627 1.00 0.00 C ATOM 290 O LYS A 49 11.782 14.191 -13.367 1.00 0.00 O ATOM 291 CB LYS A 49 12.945 11.556 -12.010 1.00 0.00 C ATOM 292 CG LYS A 49 13.088 10.038 -11.798 1.00 0.00 C ATOM 293 CD LYS A 49 14.557 9.671 -11.571 1.00 0.00 C ATOM 294 CE LYS A 49 14.643 8.212 -11.122 1.00 0.00 C ATOM 295 NZ LYS A 49 14.065 8.080 -9.755 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.395 12.320 -14.730 1.00 0.00 H new ATOM 0 HA LYS A 49 10.853 11.248 -12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.819 11.940 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.905 12.062 -11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.491 9.725 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.702 9.504 -12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.127 9.817 -12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.996 10.324 -10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.103 7.573 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.681 7.880 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.413 7.205 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.350 8.896 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.027 8.047 -9.819 1.00 0.00 H new ATOM 309 N GLY A 50 10.484 13.604 -11.631 1.00 0.00 N ATOM 310 CA GLY A 50 10.062 14.971 -11.346 1.00 0.00 C ATOM 311 C GLY A 50 10.837 15.549 -10.166 1.00 0.00 C ATOM 312 O GLY A 50 11.699 14.885 -9.591 1.00 0.00 O ATOM 0 H GLY A 50 10.089 12.901 -11.007 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.216 15.594 -12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.994 14.987 -11.127 1.00 0.00 H new ATOM 316 N ILE A 51 10.528 16.792 -9.817 1.00 0.00 N ATOM 317 CA ILE A 51 11.209 17.452 -8.707 1.00 0.00 C ATOM 318 C ILE A 51 11.231 16.562 -7.460 1.00 0.00 C ATOM 319 O ILE A 51 11.995 16.815 -6.527 1.00 0.00 O ATOM 320 CB ILE A 51 10.510 18.772 -8.377 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.202 19.433 -7.183 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.046 18.501 -8.031 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.747 20.889 -7.072 1.00 0.00 C ATOM 0 H ILE A 51 9.818 17.359 -10.280 1.00 0.00 H new ATOM 0 HA ILE A 51 12.238 17.644 -9.012 1.00 0.00 H new ATOM 0 HB ILE A 51 10.563 19.436 -9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.962 18.895 -6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.284 19.387 -7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.548 19.441 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.552 18.031 -8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.993 17.837 -7.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.240 21.360 -6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.010 21.423 -7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.667 20.923 -6.930 1.00 0.00 H new ATOM 335 N ASP A 52 10.406 15.517 -7.447 1.00 0.00 N ATOM 336 CA ASP A 52 10.359 14.608 -6.309 1.00 0.00 C ATOM 337 C ASP A 52 11.595 13.706 -6.283 1.00 0.00 C ATOM 338 O ASP A 52 12.260 13.570 -5.257 1.00 0.00 O ATOM 339 CB ASP A 52 9.093 13.754 -6.405 1.00 0.00 C ATOM 340 CG ASP A 52 9.050 12.759 -5.253 1.00 0.00 C ATOM 341 OD1 ASP A 52 9.508 13.109 -4.179 1.00 0.00 O1- ATOM 342 OD2 ASP A 52 8.556 11.664 -5.461 1.00 0.00 O ATOM 0 H ASP A 52 9.767 15.282 -8.206 1.00 0.00 H new ATOM 0 HA ASP A 52 10.345 15.191 -5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.210 14.393 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.074 13.223 -7.357 1.00 0.00 H new ATOM 347 N SER A 53 11.890 13.089 -7.430 1.00 0.00 N ATOM 348 CA SER A 53 13.041 12.197 -7.543 1.00 0.00 C ATOM 349 C SER A 53 14.281 12.973 -7.983 1.00 0.00 C ATOM 350 O SER A 53 15.336 12.389 -8.238 1.00 0.00 O ATOM 351 CB SER A 53 12.722 11.054 -8.520 1.00 0.00 C ATOM 352 OG SER A 53 12.388 9.892 -7.774 1.00 0.00 O ATOM 0 H SER A 53 11.349 13.192 -8.289 1.00 0.00 H new ATOM 0 HA SER A 53 13.253 11.764 -6.566 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.894 11.335 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.580 10.856 -9.162 1.00 0.00 H new ATOM 0 HG SER A 53 11.885 9.272 -8.342 1.00 0.00 H new ATOM 358 N TYR A 54 14.145 14.295 -8.062 1.00 0.00 N ATOM 359 CA TYR A 54 15.250 15.167 -8.467 1.00 0.00 C ATOM 360 C TYR A 54 15.465 16.287 -7.455 1.00 0.00 C ATOM 361 O TYR A 54 14.513 16.876 -6.940 1.00 0.00 O ATOM 362 CB TYR A 54 14.954 15.765 -9.864 1.00 0.00 C ATOM 363 CG TYR A 54 15.731 15.028 -10.933 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.526 13.661 -11.130 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.665 15.714 -11.715 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.256 12.980 -12.112 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.388 15.038 -12.687 1.00 0.00 C ATOM 368 CZ TYR A 54 17.189 13.671 -12.890 1.00 0.00 C ATOM 369 OH TYR A 54 17.916 13.002 -13.852 1.00 0.00 O ATOM 0 H TYR A 54 13.278 14.789 -7.850 1.00 0.00 H new ATOM 0 HA TYR A 54 16.162 14.571 -8.510 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.886 15.702 -10.074 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.220 16.822 -9.877 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.805 13.130 -10.526 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.824 16.771 -11.562 1.00 0.00 H new ATOM 0 HE1 TYR A 54 16.098 11.923 -12.268 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.108 15.572 -13.290 1.00 0.00 H new ATOM 0 HH TYR A 54 18.519 13.630 -14.302 1.00 0.00 H new ATOM 379 N SER A 55 16.732 16.583 -7.190 1.00 0.00 N ATOM 380 CA SER A 55 17.081 17.636 -6.257 1.00 0.00 C ATOM 381 C SER A 55 16.614 18.982 -6.798 1.00 0.00 C ATOM 382 O SER A 55 16.528 19.182 -8.010 1.00 0.00 O ATOM 383 CB SER A 55 18.597 17.661 -6.048 1.00 0.00 C ATOM 384 OG SER A 55 18.969 16.580 -5.204 1.00 0.00 O ATOM 0 H SER A 55 17.530 16.107 -7.610 1.00 0.00 H new ATOM 0 HA SER A 55 16.590 17.444 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.110 17.583 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.899 18.608 -5.601 1.00 0.00 H new ATOM 0 HG SER A 55 19.939 16.590 -5.068 1.00 0.00 H new ATOM 390 N LYS A 56 16.307 19.898 -5.889 1.00 0.00 N ATOM 391 CA LYS A 56 15.844 21.222 -6.277 1.00 0.00 C ATOM 392 C LYS A 56 16.917 21.950 -7.079 1.00 0.00 C ATOM 393 O LYS A 56 16.612 22.700 -8.005 1.00 0.00 O ATOM 394 CB LYS A 56 15.493 22.036 -5.031 1.00 0.00 C ATOM 395 CG LYS A 56 14.888 23.378 -5.450 1.00 0.00 C ATOM 396 CD LYS A 56 14.477 24.165 -4.204 1.00 0.00 C ATOM 397 CE LYS A 56 13.859 25.500 -4.624 1.00 0.00 C ATOM 398 NZ LYS A 56 12.483 25.267 -5.147 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.370 19.749 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 56 14.956 21.110 -6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.786 21.485 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.386 22.200 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.612 23.949 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.022 23.214 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.761 23.589 -3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.345 24.338 -3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.826 26.181 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.475 25.974 -5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.989 26.177 -5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.539 24.805 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.960 24.656 -4.488 1.00 0.00 H new ATOM 412 N THR A 57 18.176 21.731 -6.712 1.00 0.00 N ATOM 413 CA THR A 57 19.284 22.381 -7.403 1.00 0.00 C ATOM 414 C THR A 57 19.331 21.959 -8.869 1.00 0.00 C ATOM 415 O THR A 57 19.438 22.799 -9.761 1.00 0.00 O ATOM 416 CB THR A 57 20.605 22.013 -6.727 1.00 0.00 C ATOM 417 OG1 THR A 57 20.492 22.218 -5.326 1.00 0.00 O ATOM 418 CG2 THR A 57 21.728 22.889 -7.283 1.00 0.00 C ATOM 0 H THR A 57 18.453 21.115 -5.948 1.00 0.00 H new ATOM 0 HA THR A 57 19.133 23.459 -7.353 1.00 0.00 H new ATOM 0 HB THR A 57 20.834 20.966 -6.924 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.338 21.981 -4.891 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.669 22.625 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.815 22.730 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.502 23.937 -7.088 1.00 0.00 H new ATOM 426 N GLN A 58 19.255 20.653 -9.113 1.00 0.00 N ATOM 427 CA GLN A 58 19.294 20.137 -10.475 1.00 0.00 C ATOM 428 C GLN A 58 18.040 20.542 -11.239 1.00 0.00 C ATOM 429 O GLN A 58 18.103 20.918 -12.406 1.00 0.00 O ATOM 430 CB GLN A 58 19.402 18.611 -10.449 1.00 0.00 C ATOM 431 CG GLN A 58 20.770 18.207 -9.899 1.00 0.00 C ATOM 432 CD GLN A 58 20.890 16.686 -9.865 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.245 16.070 -10.869 1.00 0.00 O ATOM 434 NE2 GLN A 58 20.616 16.044 -8.763 1.00 0.00 N ATOM 0 H GLN A 58 19.167 19.939 -8.390 1.00 0.00 H new ATOM 0 HA GLN A 58 20.164 20.558 -10.978 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.610 18.190 -9.829 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.269 18.209 -11.453 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.560 18.629 -10.520 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.902 18.613 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 58 20.322 16.558 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 58 20.696 15.028 -8.732 1.00 0.00 H new ATOM 443 N TRP A 59 16.896 20.454 -10.576 1.00 0.00 N ATOM 444 CA TRP A 59 15.633 20.804 -11.210 1.00 0.00 C ATOM 445 C TRP A 59 15.641 22.272 -11.650 1.00 0.00 C ATOM 446 O TRP A 59 15.109 22.620 -12.700 1.00 0.00 O ATOM 447 CB TRP A 59 14.458 20.561 -10.239 1.00 0.00 C ATOM 448 CG TRP A 59 13.225 20.197 -11.007 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.060 20.893 -11.031 1.00 0.00 C ATOM 450 CD2 TRP A 59 13.025 19.049 -11.867 1.00 0.00 C ATOM 451 NE1 TRP A 59 11.163 20.226 -11.845 1.00 0.00 N ATOM 452 CE2 TRP A 59 11.715 19.094 -12.377 1.00 0.00 C ATOM 453 CE3 TRP A 59 13.845 17.976 -12.248 1.00 0.00 C ATOM 454 CZ2 TRP A 59 11.235 18.124 -13.227 1.00 0.00 C ATOM 455 CZ3 TRP A 59 13.360 16.988 -13.117 1.00 0.00 C ATOM 456 CH2 TRP A 59 12.050 17.066 -13.602 1.00 0.00 C ATOM 0 H TRP A 59 16.816 20.146 -9.607 1.00 0.00 H new ATOM 0 HA TRP A 59 15.507 20.171 -12.088 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.711 19.762 -9.542 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.275 21.457 -9.645 1.00 0.00 H new ATOM 0 HD1 TRP A 59 11.866 21.815 -10.502 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.209 20.539 -12.026 1.00 0.00 H new ATOM 0 HE3 TRP A 59 14.855 17.911 -11.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.224 18.186 -13.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 13.997 16.167 -13.412 1.00 0.00 H new ATOM 0 HH2 TRP A 59 11.674 16.303 -14.268 1.00 0.00 H new ATOM 467 N SER A 60 16.240 23.126 -10.826 1.00 0.00 N ATOM 468 CA SER A 60 16.302 24.552 -11.128 1.00 0.00 C ATOM 469 C SER A 60 17.044 24.797 -12.437 1.00 0.00 C ATOM 470 O SER A 60 16.895 25.851 -13.056 1.00 0.00 O ATOM 471 CB SER A 60 17.013 25.295 -9.996 1.00 0.00 C ATOM 472 OG SER A 60 16.764 26.689 -10.119 1.00 0.00 O ATOM 0 H SER A 60 16.687 22.858 -9.949 1.00 0.00 H new ATOM 0 HA SER A 60 15.282 24.923 -11.227 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.659 24.935 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.085 25.101 -10.035 1.00 0.00 H new ATOM 0 HG SER A 60 17.217 27.168 -9.394 1.00 0.00 H new ATOM 478 N LYS A 61 17.848 23.823 -12.851 1.00 0.00 N ATOM 479 CA LYS A 61 18.612 23.956 -14.087 1.00 0.00 C ATOM 480 C LYS A 61 17.722 23.680 -15.293 1.00 0.00 C ATOM 481 O LYS A 61 18.058 24.035 -16.421 1.00 0.00 O ATOM 482 CB LYS A 61 19.780 22.970 -14.089 1.00 0.00 C ATOM 483 CG LYS A 61 20.696 23.269 -12.904 1.00 0.00 C ATOM 484 CD LYS A 61 21.883 22.305 -12.921 1.00 0.00 C ATOM 485 CE LYS A 61 22.773 22.581 -11.711 1.00 0.00 C ATOM 486 NZ LYS A 61 23.947 21.661 -11.736 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.987 22.942 -12.356 1.00 0.00 H new ATOM 0 HA LYS A 61 18.994 24.975 -14.148 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.408 21.947 -14.026 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.337 23.050 -15.023 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.049 24.299 -12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.144 23.167 -11.969 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.530 21.274 -12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.453 22.428 -13.842 1.00 0.00 H new ATOM 0 HE2 LYS A 61 23.110 23.618 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 61 22.207 22.440 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.553 21.849 -10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.616 20.675 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.491 21.816 -12.609 1.00 0.00 H new ATOM 500 N THR A 62 16.584 23.042 -15.044 1.00 0.00 N ATOM 501 CA THR A 62 15.649 22.719 -16.121 1.00 0.00 C ATOM 502 C THR A 62 14.970 23.979 -16.649 1.00 0.00 C ATOM 503 O THR A 62 14.430 23.987 -17.755 1.00 0.00 O ATOM 504 CB THR A 62 14.582 21.740 -15.628 1.00 0.00 C ATOM 505 OG1 THR A 62 13.802 22.358 -14.616 1.00 0.00 O ATOM 506 CG2 THR A 62 15.257 20.490 -15.064 1.00 0.00 C ATOM 0 H THR A 62 16.286 22.740 -14.116 1.00 0.00 H new ATOM 0 HA THR A 62 16.219 22.258 -16.928 1.00 0.00 H new ATOM 0 HB THR A 62 13.936 21.458 -16.460 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.208 22.188 -13.740 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.496 19.793 -14.713 1.00 0.00 H new ATOM 0 HG22 THR A 62 15.853 20.015 -15.844 1.00 0.00 H new ATOM 0 HG23 THR A 62 15.904 20.770 -14.233 1.00 0.00 H new ATOM 514 N PHE A 63 15.002 25.041 -15.851 1.00 0.00 N ATOM 515 CA PHE A 63 14.387 26.309 -16.232 1.00 0.00 C ATOM 516 C PHE A 63 15.173 27.469 -15.633 1.00 0.00 C ATOM 517 O PHE A 63 15.896 27.303 -14.651 1.00 0.00 O ATOM 518 CB PHE A 63 12.939 26.364 -15.738 1.00 0.00 C ATOM 519 CG PHE A 63 12.921 26.360 -14.228 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.129 27.551 -13.525 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.691 25.169 -13.531 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.108 27.553 -12.126 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.669 25.169 -12.132 1.00 0.00 C ATOM 524 CZ PHE A 63 12.878 26.363 -11.428 1.00 0.00 C ATOM 0 H PHE A 63 15.448 25.049 -14.934 1.00 0.00 H new ATOM 0 HA PHE A 63 14.397 26.388 -17.319 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.449 27.261 -16.116 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.380 25.510 -16.121 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.306 28.471 -14.063 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.530 24.249 -14.073 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.269 28.474 -11.585 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.491 24.249 -11.595 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.861 26.364 -10.348 1.00 0.00 H new ATOM 534 N THR A 64 15.029 28.643 -16.240 1.00 0.00 N ATOM 535 CA THR A 64 15.727 29.847 -15.781 1.00 0.00 C ATOM 536 C THR A 64 14.754 31.006 -15.663 1.00 0.00 C ATOM 537 O THR A 64 13.599 30.899 -16.074 1.00 0.00 O ATOM 538 CB THR A 64 16.842 30.212 -16.761 1.00 0.00 C ATOM 539 OG1 THR A 64 16.290 30.400 -18.057 1.00 0.00 O ATOM 540 CG2 THR A 64 17.884 29.095 -16.795 1.00 0.00 C ATOM 0 H THR A 64 14.433 28.790 -17.055 1.00 0.00 H new ATOM 0 HA THR A 64 16.161 29.645 -14.802 1.00 0.00 H new ATOM 0 HB THR A 64 17.323 31.135 -16.438 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.004 30.636 -18.686 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.677 29.359 -17.495 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.308 28.962 -15.799 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.412 28.166 -17.115 1.00 0.00 H new ATOM 548 N PHE A 65 15.223 32.116 -15.094 1.00 0.00 N ATOM 549 CA PHE A 65 14.381 33.299 -14.920 1.00 0.00 C ATOM 550 C PHE A 65 14.898 34.436 -15.792 1.00 0.00 C ATOM 551 O PHE A 65 15.994 34.954 -15.575 1.00 0.00 O ATOM 552 CB PHE A 65 14.387 33.718 -13.433 1.00 0.00 C ATOM 553 CG PHE A 65 13.038 34.285 -13.046 1.00 0.00 C ATOM 554 CD1 PHE A 65 11.911 33.460 -13.107 1.00 0.00 C ATOM 555 CD2 PHE A 65 12.911 35.619 -12.640 1.00 0.00 C ATOM 556 CE1 PHE A 65 10.654 33.966 -12.765 1.00 0.00 C ATOM 557 CE2 PHE A 65 11.652 36.125 -12.293 1.00 0.00 C ATOM 558 CZ PHE A 65 10.523 35.296 -12.357 1.00 0.00 C ATOM 0 H PHE A 65 16.177 32.221 -14.747 1.00 0.00 H new ATOM 0 HA PHE A 65 13.359 33.067 -15.221 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.622 32.858 -12.806 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.166 34.461 -13.260 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.012 32.431 -13.419 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.782 36.256 -12.595 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.783 33.329 -12.816 1.00 0.00 H new ATOM 0 HE2 PHE A 65 11.551 37.153 -11.976 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.552 35.686 -12.091 1.00 0.00 H new ATOM 568 N VAL A 66 14.096 34.815 -16.783 1.00 0.00 N ATOM 569 CA VAL A 66 14.466 35.889 -17.701 1.00 0.00 C ATOM 570 C VAL A 66 13.303 36.853 -17.896 1.00 0.00 C ATOM 571 O VAL A 66 12.137 36.459 -17.846 1.00 0.00 O ATOM 572 CB VAL A 66 14.895 35.301 -19.049 1.00 0.00 C ATOM 573 CG1 VAL A 66 15.905 34.172 -18.820 1.00 0.00 C ATOM 574 CG2 VAL A 66 13.667 34.748 -19.775 1.00 0.00 C ATOM 0 H VAL A 66 13.186 34.395 -16.971 1.00 0.00 H new ATOM 0 HA VAL A 66 15.302 36.441 -17.271 1.00 0.00 H new ATOM 0 HB VAL A 66 15.357 36.081 -19.655 1.00 0.00 H new ATOM 0 HG11 VAL A 66 16.209 33.755 -19.780 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.780 34.566 -18.302 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.446 33.391 -18.214 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.970 34.329 -20.735 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.206 33.969 -19.168 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.949 35.552 -19.940 1.00 0.00 H new ATOM 584 N ARG A 67 13.632 38.116 -18.119 1.00 0.00 N ATOM 585 CA ARG A 67 12.613 39.135 -18.324 1.00 0.00 C ATOM 586 C ARG A 67 11.609 39.121 -17.180 1.00 0.00 C ATOM 587 O ARG A 67 10.503 39.647 -17.304 1.00 0.00 O ATOM 588 CB ARG A 67 11.888 38.887 -19.647 1.00 0.00 C ATOM 589 CG ARG A 67 12.889 38.964 -20.802 1.00 0.00 C ATOM 590 CD ARG A 67 12.147 38.790 -22.130 1.00 0.00 C ATOM 591 NE ARG A 67 11.552 37.459 -22.209 1.00 0.00 N ATOM 592 CZ ARG A 67 12.256 36.412 -22.629 1.00 0.00 C ATOM 593 NH1 ARG A 67 13.503 36.562 -22.984 1.00 0.00 N ATOM 594 NH2 ARG A 67 11.698 35.232 -22.688 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.591 38.459 -18.163 1.00 0.00 H new ATOM 0 HA ARG A 67 13.098 40.110 -18.354 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.408 37.908 -19.633 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.099 39.627 -19.786 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.407 39.923 -20.785 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.648 38.189 -20.692 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.370 39.549 -22.222 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.836 38.937 -22.961 1.00 0.00 H new ATOM 0 HE ARG A 67 10.578 37.330 -21.937 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.939 37.483 -22.939 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.042 35.758 -23.306 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.723 35.114 -22.412 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.237 34.428 -23.010 1.00 0.00 H new ATOM 608 N GLY A 68 12.004 38.522 -16.063 1.00 0.00 N ATOM 609 CA GLY A 68 11.130 38.455 -14.899 1.00 0.00 C ATOM 610 C GLY A 68 10.027 37.423 -15.104 1.00 0.00 C ATOM 611 O GLY A 68 8.955 37.520 -14.504 1.00 0.00 O ATOM 0 H GLY A 68 12.915 38.080 -15.939 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.714 38.198 -14.015 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.688 39.434 -14.715 1.00 0.00 H new ATOM 615 N ARG A 69 10.294 36.436 -15.957 1.00 0.00 N ATOM 616 CA ARG A 69 9.317 35.386 -16.244 1.00 0.00 C ATOM 617 C ARG A 69 9.989 34.019 -16.265 1.00 0.00 C ATOM 618 O ARG A 69 11.123 33.878 -16.724 1.00 0.00 O ATOM 619 CB ARG A 69 8.651 35.655 -17.596 1.00 0.00 C ATOM 620 CG ARG A 69 7.566 34.606 -17.848 1.00 0.00 C ATOM 621 CD ARG A 69 6.870 34.901 -19.177 1.00 0.00 C ATOM 622 NE ARG A 69 5.736 33.999 -19.359 1.00 0.00 N ATOM 623 CZ ARG A 69 5.897 32.784 -19.876 1.00 0.00 C ATOM 624 NH1 ARG A 69 7.086 32.378 -20.228 1.00 0.00 N ATOM 625 NH2 ARG A 69 4.867 31.997 -20.030 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.176 36.341 -16.461 1.00 0.00 H new ATOM 0 HA ARG A 69 8.561 35.390 -15.458 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.215 36.654 -17.606 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.395 35.623 -18.392 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.007 33.609 -17.870 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.840 34.616 -17.035 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.528 35.936 -19.196 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.575 34.783 -20.000 1.00 0.00 H new ATOM 0 HE ARG A 69 4.803 34.306 -19.085 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.891 32.992 -20.107 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.210 31.446 -20.624 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.938 32.314 -19.754 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.992 31.066 -20.427 1.00 0.00 H new ATOM 639 N THR A 70 9.277 33.012 -15.766 1.00 0.00 N ATOM 640 CA THR A 70 9.811 31.658 -15.735 1.00 0.00 C ATOM 641 C THR A 70 9.936 31.108 -17.151 1.00 0.00 C ATOM 642 O THR A 70 8.970 31.112 -17.916 1.00 0.00 O ATOM 643 CB THR A 70 8.891 30.751 -14.916 1.00 0.00 C ATOM 644 OG1 THR A 70 8.607 31.370 -13.669 1.00 0.00 O ATOM 645 CG2 THR A 70 9.577 29.407 -14.673 1.00 0.00 C ATOM 0 H THR A 70 8.337 33.108 -15.381 1.00 0.00 H new ATOM 0 HA THR A 70 10.798 31.684 -15.273 1.00 0.00 H new ATOM 0 HB THR A 70 7.963 30.588 -15.463 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.016 30.791 -13.143 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.919 28.763 -14.089 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.795 28.932 -15.629 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.507 29.567 -14.127 1.00 0.00 H new ATOM 653 N VAL A 71 11.133 30.633 -17.497 1.00 0.00 N ATOM 654 CA VAL A 71 11.385 30.075 -18.827 1.00 0.00 C ATOM 655 C VAL A 71 12.081 28.722 -18.720 1.00 0.00 C ATOM 656 O VAL A 71 13.039 28.560 -17.965 1.00 0.00 O ATOM 657 CB VAL A 71 12.248 31.044 -19.642 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.415 32.272 -20.020 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.450 31.497 -18.810 1.00 0.00 C ATOM 0 H VAL A 71 11.942 30.623 -16.876 1.00 0.00 H new ATOM 0 HA VAL A 71 10.429 29.932 -19.331 1.00 0.00 H new ATOM 0 HB VAL A 71 12.598 30.538 -20.542 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.027 32.963 -20.600 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.557 31.960 -20.615 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.067 32.769 -19.114 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.059 32.186 -19.396 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.100 31.999 -17.908 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.048 30.629 -18.533 1.00 0.00 H new ATOM 669 N SER A 72 11.596 27.748 -19.482 1.00 0.00 N ATOM 670 CA SER A 72 12.187 26.417 -19.461 1.00 0.00 C ATOM 671 C SER A 72 13.479 26.400 -20.267 1.00 0.00 C ATOM 672 O SER A 72 13.623 27.153 -21.230 1.00 0.00 O ATOM 673 CB SER A 72 11.208 25.401 -20.043 1.00 0.00 C ATOM 674 OG SER A 72 10.724 25.883 -21.290 1.00 0.00 O ATOM 0 H SER A 72 10.804 27.854 -20.115 1.00 0.00 H new ATOM 0 HA SER A 72 12.409 26.152 -18.427 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.701 24.438 -20.178 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.379 25.241 -19.354 1.00 0.00 H new ATOM 0 HG SER A 72 10.096 25.234 -21.670 1.00 0.00 H new ATOM 680 N VAL A 73 14.419 25.542 -19.877 1.00 0.00 N ATOM 681 CA VAL A 73 15.693 25.447 -20.584 1.00 0.00 C ATOM 682 C VAL A 73 15.618 24.360 -21.650 1.00 0.00 C ATOM 683 O VAL A 73 15.414 23.188 -21.340 1.00 0.00 O ATOM 684 CB VAL A 73 16.822 25.126 -19.587 1.00 0.00 C ATOM 685 CG1 VAL A 73 18.171 25.039 -20.335 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.892 26.222 -18.483 1.00 0.00 C ATOM 0 H VAL A 73 14.324 24.909 -19.083 1.00 0.00 H new ATOM 0 HA VAL A 73 15.903 26.402 -21.066 1.00 0.00 H new ATOM 0 HB VAL A 73 16.615 24.166 -19.113 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.967 24.812 -19.625 1.00 0.00 H new ATOM 0 HG12 VAL A 73 18.120 24.252 -21.087 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.380 25.992 -20.821 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.694 25.984 -17.784 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.088 27.190 -18.944 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.943 26.260 -17.947 1.00 0.00 H new ATOM 696 N SER A 74 15.772 24.760 -22.907 1.00 0.00 N ATOM 697 CA SER A 74 15.710 23.815 -24.020 1.00 0.00 C ATOM 698 C SER A 74 16.875 22.832 -23.965 1.00 0.00 C ATOM 699 O SER A 74 17.073 22.036 -24.881 1.00 0.00 O ATOM 700 CB SER A 74 15.742 24.571 -25.346 1.00 0.00 C ATOM 701 OG SER A 74 14.600 25.412 -25.434 1.00 0.00 O ATOM 0 H SER A 74 15.940 25.728 -23.182 1.00 0.00 H new ATOM 0 HA SER A 74 14.778 23.255 -23.940 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.653 25.166 -25.417 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.755 23.868 -26.179 1.00 0.00 H new ATOM 0 HG SER A 74 14.618 25.900 -26.283 1.00 0.00 H new ATOM 707 N ASP A 75 17.646 22.899 -22.883 1.00 0.00 N ATOM 708 CA ASP A 75 18.800 22.016 -22.705 1.00 0.00 C ATOM 709 C ASP A 75 18.925 21.586 -21.243 1.00 0.00 C ATOM 710 O ASP A 75 19.868 21.972 -20.550 1.00 0.00 O ATOM 711 CB ASP A 75 20.077 22.737 -23.135 1.00 0.00 C ATOM 712 CG ASP A 75 21.242 21.756 -23.163 1.00 0.00 C ATOM 713 OD1 ASP A 75 21.216 20.860 -23.991 1.00 0.00 O ATOM 714 OD2 ASP A 75 22.143 21.913 -22.356 1.00 0.00 O1- ATOM 0 H ASP A 75 17.495 23.554 -22.116 1.00 0.00 H new ATOM 0 HA ASP A 75 18.656 21.130 -23.323 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.940 23.181 -24.121 1.00 0.00 H new ATOM 0 HB3 ASP A 75 20.294 23.553 -22.446 1.00 0.00 H new ATOM 719 N PRO A 76 17.993 20.800 -20.771 1.00 0.00 N ATOM 720 CA PRO A 76 17.991 20.309 -19.367 1.00 0.00 C ATOM 721 C PRO A 76 18.901 19.099 -19.185 1.00 0.00 C ATOM 722 O PRO A 76 18.450 17.956 -19.245 1.00 0.00 O ATOM 723 CB PRO A 76 16.524 19.938 -19.123 1.00 0.00 C ATOM 724 CG PRO A 76 15.971 19.573 -20.473 1.00 0.00 C ATOM 725 CD PRO A 76 16.838 20.295 -21.528 1.00 0.00 C ATOM 0 HA PRO A 76 18.369 21.053 -18.666 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.441 19.104 -18.426 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.975 20.773 -18.687 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.001 18.494 -20.623 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.928 19.878 -20.557 1.00 0.00 H new ATOM 0 HD2 PRO A 76 17.149 19.614 -22.320 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.289 21.108 -22.004 1.00 0.00 H new ATOM 733 N LYS A 77 20.185 19.355 -18.957 1.00 0.00 N ATOM 734 CA LYS A 77 21.151 18.277 -18.758 1.00 0.00 C ATOM 735 C LYS A 77 21.446 18.105 -17.277 1.00 0.00 C ATOM 736 O LYS A 77 22.249 18.840 -16.705 1.00 0.00 O ATOM 737 CB LYS A 77 22.446 18.601 -19.493 1.00 0.00 C ATOM 738 CG LYS A 77 22.184 18.626 -21.000 1.00 0.00 C ATOM 739 CD LYS A 77 23.452 19.063 -21.745 1.00 0.00 C ATOM 740 CE LYS A 77 24.459 17.906 -21.804 1.00 0.00 C ATOM 741 NZ LYS A 77 25.553 18.250 -22.753 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.581 20.294 -18.905 1.00 0.00 H new ATOM 0 HA LYS A 77 20.728 17.352 -19.151 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.832 19.566 -19.164 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.207 17.857 -19.258 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.875 17.638 -21.340 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.366 19.311 -21.224 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.197 19.384 -22.755 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.901 19.920 -21.242 1.00 0.00 H new ATOM 0 HE2 LYS A 77 24.869 17.716 -20.812 1.00 0.00 H new ATOM 0 HE3 LYS A 77 23.960 16.991 -22.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.236 17.467 -22.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.154 18.411 -23.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.035 19.113 -22.429 1.00 0.00 H new ATOM 755 N VAL A 78 20.793 17.123 -16.661 1.00 0.00 N ATOM 756 CA VAL A 78 20.993 16.849 -15.242 1.00 0.00 C ATOM 757 C VAL A 78 20.981 15.344 -14.988 1.00 0.00 C ATOM 758 O VAL A 78 20.469 14.572 -15.798 1.00 0.00 O ATOM 759 CB VAL A 78 19.890 17.530 -14.424 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.183 19.028 -14.320 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.539 17.335 -15.115 1.00 0.00 C ATOM 0 H VAL A 78 20.123 16.506 -17.121 1.00 0.00 H new ATOM 0 HA VAL A 78 21.961 17.245 -14.937 1.00 0.00 H new ATOM 0 HB VAL A 78 19.860 17.088 -13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.399 19.513 -13.738 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.144 19.177 -13.828 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.215 19.463 -15.319 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.758 17.821 -14.530 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.573 17.775 -16.112 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.322 16.270 -15.196 1.00 0.00 H new ATOM 771 N ILE A 79 21.553 14.933 -13.859 1.00 0.00 N ATOM 772 CA ILE A 79 21.612 13.518 -13.497 1.00 0.00 C ATOM 773 C ILE A 79 20.605 13.202 -12.398 1.00 0.00 C ATOM 774 O ILE A 79 20.206 14.083 -11.635 1.00 0.00 O ATOM 775 CB ILE A 79 23.018 13.165 -13.018 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.017 13.458 -14.139 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.073 11.680 -12.677 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.438 13.330 -13.600 1.00 0.00 C ATOM 0 H ILE A 79 21.983 15.560 -13.178 1.00 0.00 H new ATOM 0 HA ILE A 79 21.366 12.925 -14.378 1.00 0.00 H new ATOM 0 HB ILE A 79 23.266 13.756 -12.136 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.866 12.764 -14.966 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.855 14.462 -14.532 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.075 11.422 -12.334 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.352 11.461 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.831 11.094 -13.564 1.00 0.00 H new ATOM 0 HD11 ILE A 79 26.150 13.539 -14.398 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.585 14.042 -12.788 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.596 12.318 -13.228 1.00 0.00 H new ATOM 790 N CYS A 80 20.191 11.939 -12.326 1.00 0.00 N ATOM 791 CA CYS A 80 19.221 11.511 -11.320 1.00 0.00 C ATOM 792 C CYS A 80 19.917 11.141 -10.015 1.00 0.00 C ATOM 793 O CYS A 80 21.134 10.952 -9.974 1.00 0.00 O ATOM 794 CB CYS A 80 18.414 10.319 -11.840 1.00 0.00 C ATOM 795 SG CYS A 80 19.426 8.831 -11.773 1.00 0.00 S ATOM 0 H CYS A 80 20.510 11.197 -12.949 1.00 0.00 H new ATOM 0 HA CYS A 80 18.544 12.343 -11.124 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.514 10.186 -11.240 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.090 10.505 -12.864 1.00 0.00 H new ATOM 0 HG CYS A 80 18.954 7.948 -12.602 1.00 0.00 H new ATOM 800 N ARG A 81 19.138 11.053 -8.946 1.00 0.00 N ATOM 801 CA ARG A 81 19.684 10.721 -7.639 1.00 0.00 C ATOM 802 C ARG A 81 20.218 9.294 -7.621 1.00 0.00 C ATOM 803 O ARG A 81 21.075 8.952 -6.806 1.00 0.00 O ATOM 804 CB ARG A 81 18.600 10.869 -6.570 1.00 0.00 C ATOM 805 CG ARG A 81 18.149 12.328 -6.501 1.00 0.00 C ATOM 806 CD ARG A 81 17.033 12.464 -5.466 1.00 0.00 C ATOM 807 NE ARG A 81 16.510 13.824 -5.467 1.00 0.00 N ATOM 808 CZ ARG A 81 15.533 14.186 -4.641 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.033 13.320 -3.803 1.00 0.00 N ATOM 810 NH2 ARG A 81 15.070 15.405 -4.672 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.130 11.206 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 81 20.505 11.406 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.752 10.226 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.984 10.549 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.989 12.968 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.796 12.658 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.233 11.758 -5.689 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.413 12.213 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 81 16.900 14.510 -6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.392 12.365 -3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.284 13.598 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.457 16.081 -5.330 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.320 15.682 -4.038 1.00 0.00 H new ATOM 824 N THR A 82 19.705 8.458 -8.524 1.00 0.00 N ATOM 825 CA THR A 82 20.137 7.065 -8.602 1.00 0.00 C ATOM 826 C THR A 82 21.544 6.954 -9.192 1.00 0.00 C ATOM 827 O THR A 82 22.381 6.203 -8.693 1.00 0.00 O ATOM 828 CB THR A 82 19.156 6.262 -9.461 1.00 0.00 C ATOM 829 OG1 THR A 82 17.827 6.534 -9.038 1.00 0.00 O ATOM 830 CG2 THR A 82 19.445 4.771 -9.307 1.00 0.00 C ATOM 0 H THR A 82 18.994 8.720 -9.207 1.00 0.00 H new ATOM 0 HA THR A 82 20.156 6.661 -7.590 1.00 0.00 H new ATOM 0 HB THR A 82 19.271 6.546 -10.507 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.198 6.022 -9.588 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.746 4.200 -9.919 1.00 0.00 H new ATOM 0 HG22 THR A 82 20.465 4.563 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.330 4.484 -8.262 1.00 0.00 H new ATOM 838 N CYS A 83 21.790 7.702 -10.267 1.00 0.00 N ATOM 839 CA CYS A 83 23.087 7.684 -10.940 1.00 0.00 C ATOM 840 C CYS A 83 24.065 8.634 -10.260 1.00 0.00 C ATOM 841 O CYS A 83 25.266 8.589 -10.519 1.00 0.00 O ATOM 842 CB CYS A 83 22.919 8.087 -12.405 1.00 0.00 C ATOM 843 SG CYS A 83 21.854 6.894 -13.256 1.00 0.00 S ATOM 0 H CYS A 83 21.106 8.329 -10.691 1.00 0.00 H new ATOM 0 HA CYS A 83 23.487 6.672 -10.882 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.485 9.085 -12.469 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.893 8.131 -12.893 1.00 0.00 H new ATOM 0 HG CYS A 83 20.609 7.163 -12.998 1.00 0.00 H new ATOM 947 N SER A 90 38.687 0.873 -4.066 1.00 0.00 N ATOM 948 CA SER A 90 39.399 -0.374 -4.346 1.00 0.00 C ATOM 949 C SER A 90 40.839 -0.280 -3.861 1.00 0.00 C ATOM 950 O SER A 90 41.376 0.817 -3.694 1.00 0.00 O ATOM 951 CB SER A 90 39.382 -0.659 -5.849 1.00 0.00 C ATOM 952 OG SER A 90 39.886 0.472 -6.545 1.00 0.00 O ATOM 0 HA SER A 90 38.899 -1.186 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 90 39.988 -1.537 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 90 38.367 -0.880 -6.178 1.00 0.00 H new ATOM 0 HG SER A 90 39.769 1.274 -5.994 1.00 0.00 H new ATOM 958 N ILE A 91 41.457 -1.436 -3.632 1.00 0.00 N ATOM 959 CA ILE A 91 42.839 -1.492 -3.157 1.00 0.00 C ATOM 960 C ILE A 91 43.689 -2.340 -4.096 1.00 0.00 C ATOM 961 O ILE A 91 43.299 -3.442 -4.482 1.00 0.00 O ATOM 962 CB ILE A 91 42.878 -2.084 -1.749 1.00 0.00 C ATOM 963 CG1 ILE A 91 42.086 -1.184 -0.799 1.00 0.00 C ATOM 964 CG2 ILE A 91 44.328 -2.166 -1.266 1.00 0.00 C ATOM 965 CD1 ILE A 91 41.911 -1.893 0.540 1.00 0.00 C ATOM 0 H ILE A 91 41.023 -2.349 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 91 43.243 -0.480 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 91 42.441 -3.082 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 91 42.608 -0.238 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 91 41.112 -0.950 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 91 44.354 -2.588 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 91 44.901 -2.801 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 91 44.763 -1.167 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 91 41.347 -1.254 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 91 41.371 -2.828 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 91 42.890 -2.105 0.970 1.00 0.00 H new ATOM 977 N TRP A 92 44.857 -1.818 -4.449 1.00 0.00 N ATOM 978 CA TRP A 92 45.769 -2.535 -5.334 1.00 0.00 C ATOM 979 C TRP A 92 46.580 -3.554 -4.541 1.00 0.00 C ATOM 980 O TRP A 92 47.048 -3.265 -3.440 1.00 0.00 O ATOM 981 CB TRP A 92 46.720 -1.550 -6.019 1.00 0.00 C ATOM 982 CG TRP A 92 47.478 -2.260 -7.097 1.00 0.00 C ATOM 983 CD1 TRP A 92 48.431 -3.203 -6.891 1.00 0.00 C ATOM 984 CD2 TRP A 92 47.367 -2.101 -8.541 1.00 0.00 C ATOM 985 NE1 TRP A 92 48.912 -3.629 -8.113 1.00 0.00 N ATOM 986 CE2 TRP A 92 48.288 -2.981 -9.162 1.00 0.00 C ATOM 987 CE3 TRP A 92 46.568 -1.288 -9.363 1.00 0.00 C ATOM 988 CZ2 TRP A 92 48.408 -3.049 -10.550 1.00 0.00 C ATOM 989 CZ3 TRP A 92 46.687 -1.356 -10.760 1.00 0.00 C ATOM 990 CH2 TRP A 92 47.605 -2.234 -11.352 1.00 0.00 C ATOM 0 H TRP A 92 45.194 -0.907 -4.139 1.00 0.00 H new ATOM 0 HA TRP A 92 45.181 -3.055 -6.090 1.00 0.00 H new ATOM 0 HB2 TRP A 92 46.157 -0.718 -6.442 1.00 0.00 H new ATOM 0 HB3 TRP A 92 47.412 -1.128 -5.290 1.00 0.00 H new ATOM 0 HD1 TRP A 92 48.760 -3.562 -5.927 1.00 0.00 H new ATOM 0 HE1 TRP A 92 49.639 -4.335 -8.227 1.00 0.00 H new ATOM 0 HE3 TRP A 92 45.858 -0.607 -8.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 49.117 -3.727 -11.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 46.067 -0.728 -11.383 1.00 0.00 H new ATOM 0 HH2 TRP A 92 47.692 -2.281 -12.428 1.00 0.00 H new ATOM 1001 N CYS A 93 46.751 -4.746 -5.114 1.00 0.00 N ATOM 1002 CA CYS A 93 47.517 -5.811 -4.463 1.00 0.00 C ATOM 1003 C CYS A 93 48.785 -6.118 -5.249 1.00 0.00 C ATOM 1004 O CYS A 93 48.752 -6.275 -6.471 1.00 0.00 O ATOM 1005 CB CYS A 93 46.673 -7.078 -4.364 1.00 0.00 C ATOM 1006 SG CYS A 93 47.720 -8.464 -3.844 1.00 0.00 S ATOM 0 H CYS A 93 46.370 -4.999 -6.026 1.00 0.00 H new ATOM 0 HA CYS A 93 47.789 -5.471 -3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 93 45.863 -6.933 -3.650 1.00 0.00 H new ATOM 0 HB3 CYS A 93 46.213 -7.297 -5.328 1.00 0.00 H new ATOM 0 HG CYS A 93 47.228 -9.576 -4.305 1.00 0.00 H new ATOM 1011 N THR A 94 49.902 -6.215 -4.535 1.00 0.00 N ATOM 1012 CA THR A 94 51.183 -6.517 -5.165 1.00 0.00 C ATOM 1013 C THR A 94 51.410 -8.026 -5.213 1.00 0.00 C ATOM 1014 O THR A 94 52.191 -8.523 -6.025 1.00 0.00 O ATOM 1015 CB THR A 94 52.315 -5.853 -4.377 1.00 0.00 C ATOM 1016 OG1 THR A 94 52.513 -6.546 -3.151 1.00 0.00 O ATOM 1017 CG2 THR A 94 51.952 -4.397 -4.088 1.00 0.00 C ATOM 0 H THR A 94 49.947 -6.089 -3.524 1.00 0.00 H new ATOM 0 HA THR A 94 51.172 -6.130 -6.184 1.00 0.00 H new ATOM 0 HB THR A 94 53.233 -5.888 -4.964 1.00 0.00 H new ATOM 0 HG1 THR A 94 53.239 -6.121 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 94 52.759 -3.925 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 94 51.805 -3.865 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 94 51.033 -4.360 -3.503 1.00 0.00 H new ATOM 1025 N ALA A 95 50.714 -8.750 -4.341 1.00 0.00 N ATOM 1026 CA ALA A 95 50.838 -10.201 -4.290 1.00 0.00 C ATOM 1027 C ALA A 95 50.158 -10.842 -5.495 1.00 0.00 C ATOM 1028 O ALA A 95 50.648 -11.832 -6.040 1.00 0.00 O ATOM 1029 CB ALA A 95 50.215 -10.743 -3.000 1.00 0.00 C ATOM 0 H ALA A 95 50.061 -8.356 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 95 51.899 -10.452 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 95 50.315 -11.828 -2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 95 50.727 -10.312 -2.140 1.00 0.00 H new ATOM 0 HB3 ALA A 95 49.159 -10.475 -2.965 1.00 0.00 H new ATOM 1035 N CYS A 96 49.025 -10.270 -5.906 1.00 0.00 N ATOM 1036 CA CYS A 96 48.272 -10.784 -7.050 1.00 0.00 C ATOM 1037 C CYS A 96 48.551 -9.945 -8.293 1.00 0.00 C ATOM 1038 O CYS A 96 48.370 -10.407 -9.417 1.00 0.00 O ATOM 1039 CB CYS A 96 46.773 -10.756 -6.740 1.00 0.00 C ATOM 1040 SG CYS A 96 46.443 -11.713 -5.238 1.00 0.00 S ATOM 0 H CYS A 96 48.609 -9.451 -5.463 1.00 0.00 H new ATOM 0 HA CYS A 96 48.586 -11.810 -7.239 1.00 0.00 H new ATOM 0 HB2 CYS A 96 46.438 -9.727 -6.608 1.00 0.00 H new ATOM 0 HB3 CYS A 96 46.211 -11.169 -7.577 1.00 0.00 H new ATOM 0 HG CYS A 96 45.681 -11.023 -4.443 1.00 0.00 H new ATOM 1045 N GLN A 97 48.983 -8.705 -8.073 1.00 0.00 N ATOM 1046 CA GLN A 97 49.285 -7.792 -9.173 1.00 0.00 C ATOM 1047 C GLN A 97 47.999 -7.388 -9.891 1.00 0.00 C ATOM 1048 O GLN A 97 47.982 -7.210 -11.108 1.00 0.00 O ATOM 1049 CB GLN A 97 50.247 -8.465 -10.165 1.00 0.00 C ATOM 1050 CG GLN A 97 50.958 -7.403 -11.009 1.00 0.00 C ATOM 1051 CD GLN A 97 51.937 -8.073 -11.964 1.00 0.00 C ATOM 1052 OE1 GLN A 97 52.362 -9.205 -11.730 1.00 0.00 O ATOM 1053 NE2 GLN A 97 52.318 -7.438 -13.038 1.00 0.00 N ATOM 0 H GLN A 97 49.132 -8.310 -7.144 1.00 0.00 H new ATOM 0 HA GLN A 97 49.759 -6.898 -8.767 1.00 0.00 H new ATOM 0 HB2 GLN A 97 50.981 -9.062 -9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 97 49.696 -9.147 -10.813 1.00 0.00 H new ATOM 0 HG2 GLN A 97 50.227 -6.823 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 97 51.488 -6.705 -10.361 1.00 0.00 H new ATOM 0 HE21 GLN A 97 51.964 -6.501 -13.229 1.00 0.00 H new ATOM 0 HE22 GLN A 97 52.970 -7.879 -13.687 1.00 0.00 H new ATOM 1062 N GLN A 98 46.917 -7.250 -9.128 1.00 0.00 N ATOM 1063 CA GLN A 98 45.627 -6.871 -9.699 1.00 0.00 C ATOM 1064 C GLN A 98 44.831 -6.028 -8.712 1.00 0.00 C ATOM 1065 O GLN A 98 45.110 -6.026 -7.513 1.00 0.00 O ATOM 1066 CB GLN A 98 44.837 -8.127 -10.089 1.00 0.00 C ATOM 1067 CG GLN A 98 43.490 -7.727 -10.699 1.00 0.00 C ATOM 1068 CD GLN A 98 42.826 -8.936 -11.348 1.00 0.00 C ATOM 1069 OE1 GLN A 98 43.496 -9.922 -11.661 1.00 0.00 O ATOM 1070 NE2 GLN A 98 41.541 -8.918 -11.565 1.00 0.00 N ATOM 0 H GLN A 98 46.907 -7.394 -8.118 1.00 0.00 H new ATOM 0 HA GLN A 98 45.803 -6.273 -10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 98 45.408 -8.719 -10.804 1.00 0.00 H new ATOM 0 HB3 GLN A 98 44.677 -8.754 -9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 98 42.840 -7.317 -9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 98 43.637 -6.942 -11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 98 40.991 -8.099 -11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 98 41.085 -9.722 -11.996 1.00 0.00 H new ATOM 1079 N THR A 99 43.831 -5.324 -9.227 1.00 0.00 N ATOM 1080 CA THR A 99 42.987 -4.483 -8.389 1.00 0.00 C ATOM 1081 C THR A 99 41.958 -5.330 -7.655 1.00 0.00 C ATOM 1082 O THR A 99 41.383 -6.256 -8.227 1.00 0.00 O ATOM 1083 CB THR A 99 42.268 -3.439 -9.240 1.00 0.00 C ATOM 1084 OG1 THR A 99 43.222 -2.707 -9.996 1.00 0.00 O ATOM 1085 CG2 THR A 99 41.493 -2.486 -8.327 1.00 0.00 C ATOM 0 H THR A 99 43.585 -5.319 -10.217 1.00 0.00 H new ATOM 0 HA THR A 99 43.623 -3.979 -7.661 1.00 0.00 H new ATOM 0 HB THR A 99 41.574 -3.935 -9.918 1.00 0.00 H new ATOM 0 HG1 THR A 99 42.761 -2.038 -10.544 1.00 0.00 H new ATOM 0 HG21 THR A 99 40.979 -1.740 -8.933 1.00 0.00 H new ATOM 0 HG22 THR A 99 40.762 -3.051 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 99 42.186 -1.988 -7.649 1.00 0.00 H new ATOM 1093 N LYS A 100 41.723 -5.009 -6.383 1.00 0.00 N ATOM 1094 CA LYS A 100 40.754 -5.757 -5.579 1.00 0.00 C ATOM 1095 C LYS A 100 39.852 -4.797 -4.802 1.00 0.00 C ATOM 1096 O LYS A 100 40.312 -3.778 -4.287 1.00 0.00 O ATOM 1097 CB LYS A 100 41.499 -6.682 -4.595 1.00 0.00 C ATOM 1098 CG LYS A 100 40.675 -7.958 -4.330 1.00 0.00 C ATOM 1099 CD LYS A 100 40.982 -9.001 -5.408 1.00 0.00 C ATOM 1100 CE LYS A 100 40.208 -10.281 -5.117 1.00 0.00 C ATOM 1101 NZ LYS A 100 40.532 -11.297 -6.158 1.00 0.00 N1+ ATOM 0 H LYS A 100 42.184 -4.244 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 100 40.135 -6.358 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 100 42.474 -6.949 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 100 41.679 -6.156 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 100 40.913 -8.358 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 100 39.611 -7.722 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 100 40.709 -8.615 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 100 42.052 -9.209 -5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 100 40.467 -10.660 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 100 39.137 -10.079 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 40.006 -12.173 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 40.264 -10.932 -7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 41.553 -11.496 -6.143 1.00 0.00 H new ATOM 1115 N GLY A 101 38.571 -5.133 -4.719 1.00 0.00 N ATOM 1116 CA GLY A 101 37.623 -4.295 -4.002 1.00 0.00 C ATOM 1117 C GLY A 101 38.006 -4.180 -2.534 1.00 0.00 C ATOM 1118 O GLY A 101 38.720 -5.024 -1.993 1.00 0.00 O ATOM 0 H GLY A 101 38.169 -5.973 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 101 37.593 -3.303 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 101 36.621 -4.715 -4.089 1.00 0.00 H new ATOM 1122 N ILE A 102 37.519 -3.124 -1.900 1.00 0.00 N ATOM 1123 CA ILE A 102 37.801 -2.887 -0.489 1.00 0.00 C ATOM 1124 C ILE A 102 37.051 -3.881 0.390 1.00 0.00 C ATOM 1125 O ILE A 102 37.518 -4.248 1.469 1.00 0.00 O ATOM 1126 CB ILE A 102 37.412 -1.460 -0.100 1.00 0.00 C ATOM 1127 CG1 ILE A 102 37.890 -1.174 1.330 1.00 0.00 C ATOM 1128 CG2 ILE A 102 35.895 -1.305 -0.172 1.00 0.00 C ATOM 1129 CD1 ILE A 102 37.820 0.330 1.601 1.00 0.00 C ATOM 0 H ILE A 102 36.927 -2.418 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 102 38.871 -3.022 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 102 37.879 -0.756 -0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 102 37.270 -1.712 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 102 38.912 -1.531 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 102 35.620 -0.288 0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 102 35.556 -1.508 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 102 35.424 -2.008 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 102 38.160 0.533 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 102 38.459 0.857 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 102 36.792 0.673 1.487 1.00 0.00 H new ATOM 1141 N ASN A 103 35.878 -4.301 -0.071 1.00 0.00 N ATOM 1142 CA ASN A 103 35.061 -5.240 0.692 1.00 0.00 C ATOM 1143 C ASN A 103 35.813 -6.550 0.907 1.00 0.00 C ATOM 1144 O ASN A 103 35.772 -7.128 1.994 1.00 0.00 O ATOM 1145 CB ASN A 103 33.758 -5.520 -0.061 1.00 0.00 C ATOM 1146 CG ASN A 103 32.857 -4.290 -0.024 1.00 0.00 C ATOM 1147 OD1 ASN A 103 33.054 -3.398 0.802 1.00 0.00 O ATOM 1148 ND2 ASN A 103 31.872 -4.188 -0.874 1.00 0.00 N ATOM 0 H ASN A 103 35.473 -4.010 -0.961 1.00 0.00 H new ATOM 0 HA ASN A 103 34.837 -4.797 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 103 33.977 -5.789 -1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 103 33.245 -6.370 0.388 1.00 0.00 H new ATOM 0 HD21 ASN A 103 31.264 -3.369 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 103 31.710 -4.927 -1.558 1.00 0.00 H new ATOM 1155 N GLU A 104 36.503 -7.012 -0.130 1.00 0.00 N ATOM 1156 CA GLU A 104 37.268 -8.253 -0.044 1.00 0.00 C ATOM 1157 C GLU A 104 38.652 -7.993 0.534 1.00 0.00 C ATOM 1158 O GLU A 104 39.579 -8.773 0.318 1.00 0.00 O ATOM 1159 CB GLU A 104 37.396 -8.887 -1.428 1.00 0.00 C ATOM 1160 CG GLU A 104 36.022 -9.371 -1.890 1.00 0.00 C ATOM 1161 CD GLU A 104 36.118 -9.940 -3.299 1.00 0.00 C ATOM 1162 OE1 GLU A 104 37.207 -9.926 -3.846 1.00 0.00 O1- ATOM 1163 OE2 GLU A 104 35.103 -10.381 -3.811 1.00 0.00 O ATOM 0 H GLU A 104 36.549 -6.549 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 104 36.738 -8.938 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 104 37.797 -8.162 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 104 38.096 -9.722 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 104 35.646 -10.132 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 104 35.311 -8.545 -1.870 1.00 0.00 H new ATOM 1170 N PHE A 105 38.788 -6.886 1.268 1.00 0.00 N ATOM 1171 CA PHE A 105 40.071 -6.523 1.875 1.00 0.00 C ATOM 1172 C PHE A 105 39.901 -6.268 3.372 1.00 0.00 C ATOM 1173 O PHE A 105 38.880 -5.744 3.816 1.00 0.00 O ATOM 1174 CB PHE A 105 40.637 -5.260 1.178 1.00 0.00 C ATOM 1175 CG PHE A 105 42.002 -5.552 0.601 1.00 0.00 C ATOM 1176 CD1 PHE A 105 43.134 -5.455 1.413 1.00 0.00 C ATOM 1177 CD2 PHE A 105 42.125 -5.928 -0.736 1.00 0.00 C ATOM 1178 CE1 PHE A 105 44.395 -5.737 0.884 1.00 0.00 C ATOM 1179 CE2 PHE A 105 43.383 -6.208 -1.265 1.00 0.00 C ATOM 1180 CZ PHE A 105 44.519 -6.114 -0.458 1.00 0.00 C ATOM 0 H PHE A 105 38.031 -6.229 1.456 1.00 0.00 H new ATOM 0 HA PHE A 105 40.770 -7.349 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 105 39.960 -4.938 0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 105 40.704 -4.440 1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 105 43.034 -5.163 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 105 41.247 -6.002 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 105 45.273 -5.664 1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 105 43.480 -6.498 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 105 45.493 -6.332 -0.870 1.00 0.00 H new ATOM 1190 N SER A 106 40.921 -6.637 4.136 1.00 0.00 N ATOM 1191 CA SER A 106 40.896 -6.440 5.576 1.00 0.00 C ATOM 1192 C SER A 106 41.196 -4.986 5.919 1.00 0.00 C ATOM 1193 O SER A 106 41.862 -4.280 5.160 1.00 0.00 O ATOM 1194 CB SER A 106 41.921 -7.352 6.245 1.00 0.00 C ATOM 1195 OG SER A 106 42.083 -6.956 7.600 1.00 0.00 O ATOM 0 H SER A 106 41.773 -7.073 3.782 1.00 0.00 H new ATOM 0 HA SER A 106 39.901 -6.689 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 106 41.591 -8.390 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 106 42.875 -7.294 5.720 1.00 0.00 H new ATOM 0 HG SER A 106 43.038 -6.881 7.807 1.00 0.00 H new ATOM 1201 N LYS A 107 40.714 -4.551 7.076 1.00 0.00 N ATOM 1202 CA LYS A 107 40.945 -3.185 7.531 1.00 0.00 C ATOM 1203 C LYS A 107 42.377 -3.007 8.024 1.00 0.00 C ATOM 1204 O LYS A 107 43.010 -1.981 7.777 1.00 0.00 O ATOM 1205 CB LYS A 107 39.970 -2.833 8.647 1.00 0.00 C ATOM 1206 CG LYS A 107 38.556 -2.744 8.071 1.00 0.00 C ATOM 1207 CD LYS A 107 37.549 -2.502 9.203 1.00 0.00 C ATOM 1208 CE LYS A 107 37.624 -1.046 9.681 1.00 0.00 C ATOM 1209 NZ LYS A 107 36.434 -0.741 10.524 1.00 0.00 N1+ ATOM 0 H LYS A 107 40.162 -5.122 7.716 1.00 0.00 H new ATOM 0 HA LYS A 107 40.785 -2.516 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 107 40.009 -3.589 9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 107 40.250 -1.884 9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 107 38.500 -1.935 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 107 38.310 -3.665 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 107 36.540 -2.726 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 107 37.757 -3.176 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 107 38.539 -0.886 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 107 37.660 -0.372 8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 36.483 0.246 10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 35.568 -0.879 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 36.420 -1.377 11.347 1.00 0.00 H new ATOM 1223 N ALA A 108 42.875 -4.012 8.739 1.00 0.00 N ATOM 1224 CA ALA A 108 44.228 -3.961 9.280 1.00 0.00 C ATOM 1225 C ALA A 108 45.256 -3.885 8.158 1.00 0.00 C ATOM 1226 O ALA A 108 46.287 -3.229 8.297 1.00 0.00 O ATOM 1227 CB ALA A 108 44.498 -5.198 10.138 1.00 0.00 C ATOM 0 H ALA A 108 42.364 -4.868 8.956 1.00 0.00 H new ATOM 0 HA ALA A 108 44.314 -3.066 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 108 45.511 -5.150 10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 108 43.785 -5.232 10.962 1.00 0.00 H new ATOM 0 HB3 ALA A 108 44.391 -6.095 9.528 1.00 0.00 H new ATOM 1233 N GLN A 109 44.978 -4.565 7.053 1.00 0.00 N ATOM 1234 CA GLN A 109 45.901 -4.570 5.923 1.00 0.00 C ATOM 1235 C GLN A 109 46.138 -3.148 5.422 1.00 0.00 C ATOM 1236 O GLN A 109 47.279 -2.706 5.308 1.00 0.00 O ATOM 1237 CB GLN A 109 45.316 -5.445 4.788 1.00 0.00 C ATOM 1238 CG GLN A 109 45.960 -6.834 4.800 1.00 0.00 C ATOM 1239 CD GLN A 109 45.831 -7.447 6.189 1.00 0.00 C ATOM 1240 OE1 GLN A 109 44.876 -7.160 6.910 1.00 0.00 O ATOM 1241 NE2 GLN A 109 46.744 -8.275 6.609 1.00 0.00 N ATOM 0 H GLN A 109 44.130 -5.115 6.914 1.00 0.00 H new ATOM 0 HA GLN A 109 46.857 -4.984 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 109 44.237 -5.536 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 109 45.488 -4.965 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 109 45.478 -7.476 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 109 47.011 -6.761 4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 109 47.534 -8.510 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 109 46.669 -8.688 7.539 1.00 0.00 H new ATOM 1250 N ARG A 110 45.057 -2.437 5.128 1.00 0.00 N ATOM 1251 CA ARG A 110 45.165 -1.066 4.637 1.00 0.00 C ATOM 1252 C ARG A 110 46.261 -0.309 5.382 1.00 0.00 C ATOM 1253 O ARG A 110 46.815 0.666 4.874 1.00 0.00 O ATOM 1254 CB ARG A 110 43.828 -0.343 4.812 1.00 0.00 C ATOM 1255 CG ARG A 110 42.777 -0.981 3.904 1.00 0.00 C ATOM 1256 CD ARG A 110 41.421 -0.316 4.152 1.00 0.00 C ATOM 1257 NE ARG A 110 41.472 1.087 3.761 1.00 0.00 N ATOM 1258 CZ ARG A 110 40.455 1.906 4.009 1.00 0.00 C ATOM 1259 NH1 ARG A 110 39.390 1.459 4.614 1.00 0.00 N ATOM 1260 NH2 ARG A 110 40.523 3.160 3.646 1.00 0.00 N1+ ATOM 0 H ARG A 110 44.101 -2.782 5.219 1.00 0.00 H new ATOM 0 HA ARG A 110 45.424 -1.099 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 110 43.507 -0.399 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 110 43.940 0.714 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 110 43.065 -0.866 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 110 42.711 -2.051 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 110 40.645 -0.831 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 110 41.154 -0.398 5.206 1.00 0.00 H new ATOM 0 HE ARG A 110 42.302 1.446 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 110 39.337 0.481 4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 110 38.610 2.088 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 110 41.356 3.509 3.173 1.00 0.00 H new ATOM 0 HH22 ARG A 110 39.743 3.789 3.836 1.00 0.00 H new ATOM 1274 N HIS A 111 46.567 -0.770 6.591 1.00 0.00 N ATOM 1275 CA HIS A 111 47.601 -0.137 7.406 1.00 0.00 C ATOM 1276 C HIS A 111 48.980 -0.330 6.782 1.00 0.00 C ATOM 1277 O HIS A 111 49.803 0.585 6.775 1.00 0.00 O ATOM 1278 CB HIS A 111 47.593 -0.728 8.816 1.00 0.00 C ATOM 1279 CG HIS A 111 48.430 0.131 9.721 1.00 0.00 C ATOM 1280 ND1 HIS A 111 49.794 -0.061 9.870 1.00 0.00 N ATOM 1281 CD2 HIS A 111 48.109 1.193 10.528 1.00 0.00 C ATOM 1282 CE1 HIS A 111 50.239 0.867 10.738 1.00 0.00 C ATOM 1283 NE2 HIS A 111 49.253 1.656 11.170 1.00 0.00 N ATOM 0 H HIS A 111 46.117 -1.575 7.027 1.00 0.00 H new ATOM 0 HA HIS A 111 47.386 0.930 7.456 1.00 0.00 H new ATOM 0 HB2 HIS A 111 46.572 -0.785 9.193 1.00 0.00 H new ATOM 0 HB3 HIS A 111 47.984 -1.745 8.798 1.00 0.00 H new ATOM 0 HD2 HIS A 111 47.119 1.607 10.647 1.00 0.00 H new ATOM 0 HE1 HIS A 111 51.269 0.962 11.047 1.00 0.00 H new ATOM 0 HE2 HIS A 111 49.323 2.431 11.829 1.00 0.00 H new ATOM 1291 N VAL A 112 49.230 -1.532 6.271 1.00 0.00 N ATOM 1292 CA VAL A 112 50.514 -1.844 5.657 1.00 0.00 C ATOM 1293 C VAL A 112 50.712 -1.040 4.377 1.00 0.00 C ATOM 1294 O VAL A 112 49.760 -0.485 3.830 1.00 0.00 O ATOM 1295 CB VAL A 112 50.586 -3.349 5.344 1.00 0.00 C ATOM 1296 CG1 VAL A 112 50.316 -4.138 6.632 1.00 0.00 C ATOM 1297 CG2 VAL A 112 49.549 -3.751 4.245 1.00 0.00 C ATOM 0 H VAL A 112 48.562 -2.303 6.270 1.00 0.00 H new ATOM 0 HA VAL A 112 51.307 -1.578 6.356 1.00 0.00 H new ATOM 0 HB VAL A 112 51.580 -3.581 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 112 50.365 -5.206 6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.066 -3.881 7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 112 49.325 -3.888 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 112 49.625 -4.820 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 112 48.542 -3.517 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 112 49.756 -3.197 3.330 1.00 0.00 H new ATOM 1307 N LEU A 113 51.951 -0.987 3.894 1.00 0.00 N ATOM 1308 CA LEU A 113 52.253 -0.254 2.667 1.00 0.00 C ATOM 1309 C LEU A 113 52.021 -1.134 1.440 1.00 0.00 C ATOM 1310 O LEU A 113 52.087 -0.658 0.307 1.00 0.00 O ATOM 1311 CB LEU A 113 53.706 0.210 2.689 1.00 0.00 C ATOM 1312 CG LEU A 113 53.990 0.929 4.012 1.00 0.00 C ATOM 1313 CD1 LEU A 113 55.457 1.362 4.048 1.00 0.00 C ATOM 1314 CD2 LEU A 113 53.079 2.162 4.143 1.00 0.00 C ATOM 0 H LEU A 113 52.756 -1.438 4.329 1.00 0.00 H new ATOM 0 HA LEU A 113 51.590 0.609 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 113 54.374 -0.644 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 113 53.899 0.879 1.850 1.00 0.00 H new ATOM 0 HG LEU A 113 53.790 0.252 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 113 55.662 1.874 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 113 56.098 0.484 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 113 55.658 2.037 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 113 53.286 2.669 5.086 1.00 0.00 H new ATOM 0 HD22 LEU A 113 53.269 2.845 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 113 52.036 1.847 4.122 1.00 0.00 H new ATOM 1326 N ASP A 114 51.748 -2.417 1.669 1.00 0.00 N ATOM 1327 CA ASP A 114 51.506 -3.358 0.573 1.00 0.00 C ATOM 1328 C ASP A 114 50.297 -4.229 0.889 1.00 0.00 C ATOM 1329 O ASP A 114 50.435 -5.401 1.237 1.00 0.00 O ATOM 1330 CB ASP A 114 52.737 -4.244 0.365 1.00 0.00 C ATOM 1331 CG ASP A 114 53.223 -4.788 1.704 1.00 0.00 C ATOM 1332 OD1 ASP A 114 52.637 -4.432 2.714 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 54.175 -5.551 1.700 1.00 0.00 O ATOM 0 H ASP A 114 51.689 -2.830 2.600 1.00 0.00 H new ATOM 0 HA ASP A 114 51.311 -2.793 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 114 52.492 -5.069 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 114 53.531 -3.670 -0.113 1.00 0.00 H new ATOM 1338 N PRO A 115 49.117 -3.672 0.780 1.00 0.00 N ATOM 1339 CA PRO A 115 47.852 -4.408 1.065 1.00 0.00 C ATOM 1340 C PRO A 115 47.746 -5.698 0.253 1.00 0.00 C ATOM 1341 O PRO A 115 48.068 -5.726 -0.936 1.00 0.00 O ATOM 1342 CB PRO A 115 46.750 -3.410 0.659 1.00 0.00 C ATOM 1343 CG PRO A 115 47.392 -2.061 0.718 1.00 0.00 C ATOM 1344 CD PRO A 115 48.868 -2.278 0.380 1.00 0.00 C ATOM 0 HA PRO A 115 47.784 -4.722 2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 115 46.377 -3.624 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 115 45.898 -3.469 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 115 46.926 -1.377 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 115 47.280 -1.619 1.708 1.00 0.00 H new ATOM 0 HD2 PRO A 115 49.062 -2.125 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 115 49.509 -1.585 0.924 1.00 0.00 H new ATOM 1352 N ARG A 116 47.298 -6.764 0.911 1.00 0.00 N ATOM 1353 CA ARG A 116 47.151 -8.066 0.260 1.00 0.00 C ATOM 1354 C ARG A 116 45.722 -8.582 0.409 1.00 0.00 C ATOM 1355 O ARG A 116 45.150 -8.549 1.499 1.00 0.00 O ATOM 1356 CB ARG A 116 48.125 -9.071 0.883 1.00 0.00 C ATOM 1357 CG ARG A 116 49.485 -8.401 1.106 1.00 0.00 C ATOM 1358 CD ARG A 116 50.456 -9.411 1.716 1.00 0.00 C ATOM 1359 NE ARG A 116 50.036 -9.749 3.069 1.00 0.00 N ATOM 1360 CZ ARG A 116 50.713 -10.629 3.799 1.00 0.00 C ATOM 1361 NH1 ARG A 116 51.772 -11.208 3.304 1.00 0.00 N ATOM 1362 NH2 ARG A 116 50.319 -10.913 5.010 1.00 0.00 N1+ ATOM 0 H ARG A 116 47.030 -6.753 1.895 1.00 0.00 H new ATOM 0 HA ARG A 116 47.374 -7.950 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 116 47.729 -9.437 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 116 48.238 -9.936 0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 116 49.878 -8.028 0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 116 49.375 -7.541 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 116 50.492 -10.311 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 116 51.464 -8.996 1.732 1.00 0.00 H new ATOM 0 HE ARG A 116 49.208 -9.302 3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 116 52.080 -10.985 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 116 52.292 -11.884 3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 116 49.491 -10.459 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 116 50.839 -11.589 5.570 1.00 0.00 H new ATOM 1376 N CYS A 117 45.159 -9.064 -0.697 1.00 0.00 N ATOM 1377 CA CYS A 117 43.799 -9.595 -0.685 1.00 0.00 C ATOM 1378 C CYS A 117 43.698 -10.795 0.256 1.00 0.00 C ATOM 1379 O CYS A 117 44.677 -11.511 0.471 1.00 0.00 O ATOM 1380 CB CYS A 117 43.380 -10.024 -2.107 1.00 0.00 C ATOM 1381 SG CYS A 117 44.289 -9.066 -3.339 1.00 0.00 S ATOM 0 H CYS A 117 45.620 -9.098 -1.606 1.00 0.00 H new ATOM 0 HA CYS A 117 43.132 -8.809 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 117 43.574 -11.087 -2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 117 42.308 -9.876 -2.239 1.00 0.00 H new ATOM 0 HG CYS A 117 45.548 -9.388 -3.297 1.00 0.00 H new ATOM 1386 N GLN A 118 42.510 -11.008 0.805 1.00 0.00 N ATOM 1387 CA GLN A 118 42.298 -12.129 1.710 1.00 0.00 C ATOM 1388 C GLN A 118 42.680 -13.448 1.043 1.00 0.00 C ATOM 1389 O GLN A 118 42.726 -14.492 1.694 1.00 0.00 O ATOM 1390 CB GLN A 118 40.840 -12.182 2.157 1.00 0.00 C ATOM 1391 CG GLN A 118 40.551 -10.986 3.061 1.00 0.00 C ATOM 1392 CD GLN A 118 39.107 -11.033 3.534 1.00 0.00 C ATOM 1393 OE1 GLN A 118 38.392 -11.993 3.250 1.00 0.00 O ATOM 1394 NE2 GLN A 118 38.634 -10.049 4.244 1.00 0.00 N ATOM 0 H GLN A 118 41.687 -10.427 0.642 1.00 0.00 H new ATOM 0 HA GLN A 118 42.936 -11.982 2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 118 40.180 -12.166 1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 118 40.644 -13.112 2.690 1.00 0.00 H new ATOM 0 HG2 GLN A 118 41.224 -10.996 3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 118 40.736 -10.057 2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 118 39.231 -9.255 4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 118 37.667 -10.072 4.567 1.00 0.00 H new ATOM 1403 N ILE A 119 42.936 -13.397 -0.260 1.00 0.00 N ATOM 1404 CA ILE A 119 43.300 -14.597 -1.020 1.00 0.00 C ATOM 1405 C ILE A 119 44.807 -14.851 -1.001 1.00 0.00 C ATOM 1406 O ILE A 119 45.248 -15.998 -0.908 1.00 0.00 O ATOM 1407 CB ILE A 119 42.836 -14.441 -2.472 1.00 0.00 C ATOM 1408 CG1 ILE A 119 41.315 -14.154 -2.516 1.00 0.00 C ATOM 1409 CG2 ILE A 119 43.161 -15.722 -3.256 1.00 0.00 C ATOM 1410 CD1 ILE A 119 40.506 -15.459 -2.438 1.00 0.00 C ATOM 0 H ILE A 119 42.899 -12.542 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 119 42.809 -15.449 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 119 43.360 -13.602 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 119 41.040 -13.501 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 119 41.068 -13.623 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 119 42.831 -15.610 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 119 44.237 -15.898 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 119 42.647 -16.568 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 119 39.441 -15.229 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 119 40.765 -16.099 -3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 119 40.737 -15.975 -1.506 1.00 0.00 H new ATOM 1422 N CYS A 120 45.593 -13.785 -1.103 1.00 0.00 N ATOM 1423 CA CYS A 120 47.052 -13.917 -1.113 1.00 0.00 C ATOM 1424 C CYS A 120 47.574 -14.210 0.294 1.00 0.00 C ATOM 1425 O CYS A 120 48.610 -14.853 0.459 1.00 0.00 O ATOM 1426 CB CYS A 120 47.695 -12.622 -1.665 1.00 0.00 C ATOM 1427 SG CYS A 120 46.543 -11.249 -1.479 1.00 0.00 S ATOM 0 H CYS A 120 45.252 -12.827 -1.179 1.00 0.00 H new ATOM 0 HA CYS A 120 47.323 -14.751 -1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 120 48.621 -12.408 -1.132 1.00 0.00 H new ATOM 0 HB3 CYS A 120 47.955 -12.752 -2.716 1.00 0.00 H new ATOM 0 HG CYS A 120 45.910 -11.363 -0.349 1.00 0.00 H new ATOM 1432 N VAL A 121 46.856 -13.736 1.304 1.00 0.00 N ATOM 1433 CA VAL A 121 47.270 -13.955 2.684 1.00 0.00 C ATOM 1434 C VAL A 121 47.058 -15.409 3.090 1.00 0.00 C ATOM 1435 O VAL A 121 47.888 -16.001 3.780 1.00 0.00 O ATOM 1436 CB VAL A 121 46.488 -13.033 3.624 1.00 0.00 C ATOM 1437 CG1 VAL A 121 46.586 -11.584 3.129 1.00 0.00 C ATOM 1438 CG2 VAL A 121 45.021 -13.460 3.655 1.00 0.00 C ATOM 0 H VAL A 121 45.993 -13.203 1.196 1.00 0.00 H new ATOM 0 HA VAL A 121 48.333 -13.726 2.760 1.00 0.00 H new ATOM 0 HB VAL A 121 46.910 -13.102 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 121 46.028 -10.932 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 121 47.631 -11.276 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 121 46.168 -11.514 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 121 44.465 -12.803 4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 121 44.602 -13.394 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 121 44.949 -14.487 4.012 1.00 0.00 H new ATOM 1448 N HIS A 122 45.937 -15.978 2.657 1.00 0.00 N ATOM 1449 CA HIS A 122 45.613 -17.363 2.978 1.00 0.00 C ATOM 1450 C HIS A 122 46.321 -18.315 2.024 1.00 0.00 C ATOM 1451 O HIS A 122 46.206 -19.534 2.150 1.00 0.00 O ATOM 1452 CB HIS A 122 44.100 -17.580 2.888 1.00 0.00 C ATOM 1453 CG HIS A 122 43.740 -18.882 3.550 1.00 0.00 C ATOM 1454 ND1 HIS A 122 43.674 -20.077 2.851 1.00 0.00 N ATOM 1455 CD2 HIS A 122 43.431 -19.190 4.850 1.00 0.00 C ATOM 1456 CE1 HIS A 122 43.337 -21.041 3.727 1.00 0.00 C ATOM 1457 NE2 HIS A 122 43.176 -20.554 4.961 1.00 0.00 N ATOM 0 H HIS A 122 45.240 -15.502 2.084 1.00 0.00 H new ATOM 0 HA HIS A 122 45.951 -17.568 3.994 1.00 0.00 H new ATOM 0 HB2 HIS A 122 43.574 -16.756 3.371 1.00 0.00 H new ATOM 0 HB3 HIS A 122 43.785 -17.591 1.845 1.00 0.00 H new ATOM 0 HD2 HIS A 122 43.391 -18.482 5.664 1.00 0.00 H new ATOM 0 HE1 HIS A 122 43.212 -22.081 3.465 1.00 0.00 H new ATOM 0 HE2 HIS A 122 42.921 -21.070 5.803 1.00 0.00 H new