USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1067 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 Single : A 16 SER OG : rot -160:sc= -0.0751 USER MOD Single : A 17 HIS : no HD1:sc=-0.00621 X(o=-0.0062,f=-0.014) USER MOD Single : A 22 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.48) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.423 F(o=-1.2,f=-0.42) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 31 THR OG1 : rot 5:sc= 0.597 USER MOD Single : A 33 ASN : amide:sc= 1.47 K(o=1.5,f=-0.011) USER MOD Single : A 37 GLN : amide:sc= 0.374 K(o=0.37,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ -125:sc= 0.34 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0943 K(o=-0.094,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ -120:sc= -3.54! (180deg=-4.16!) USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= 0.139 (180deg=-1.79!) USER MOD Single : A 59 GLN : amide:sc= -0.33 K(o=-0.33,f=-1.7) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -1.67! (180deg=-2.41!) USER MOD Single : A 67 ASN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : B 123 SER OG : rot 35:sc= 1.26 USER MOD Single : B 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 125 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0224) USER MOD Single : C 216 SER OG : rot -119:sc= 0.298 USER MOD Single : C 217 HIS : no HD1:sc= -0.0631 X(o=-0.063,f=-0.016) USER MOD Single : C 222 ASN : amide:sc= -0.0423 X(o=-0.042,f=-0.48) USER MOD Single : C 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 225 HIS :FLIP no HD1:sc= -1.4 F(o=-2.5,f=-1.4) USER MOD Single : C 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 230 ASN : amide:sc= -0.0481 K(o=-0.048,f=-0.68) USER MOD Single : C 231 THR OG1 : rot 25:sc= 0.0799 USER MOD Single : C 233 ASN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : C 237 GLN : amide:sc= -1.25 K(o=-1.2,f=-6.2!) USER MOD Single : C 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 248 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.92) USER MOD Single : C 254 LYS NZ :NH3+ 167:sc= -2.01! (180deg=-3.22!) USER MOD Single : C 256 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 259 GLN : amide:sc= -0.776 X(o=-0.78,f=-1.2) USER MOD Single : C 261 TYR OH : rot 180:sc= 0 USER MOD Single : C 264 LYS NZ :NH3+ -160:sc= -2.49! (180deg=-3.39!) USER MOD Single : C 267 ASN : amide:sc= -0.0349 X(o=-0.035,f=-0.04) USER MOD Single : D 323 SER OG : rot 76:sc= 1.33 USER MOD Single : D 324 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 325 LYS NZ :NH3+ -173:sc= 0.991 (180deg=0.918) USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 8 2.048 10.577 -15.719 1.00 62.25 N ATOM 116 CA ARG A 8 0.729 10.042 -15.952 1.00 4.41 C ATOM 117 C ARG A 8 0.182 9.473 -14.670 1.00 53.22 C ATOM 118 O ARG A 8 0.900 8.793 -13.925 1.00 3.03 O ATOM 119 CB ARG A 8 0.730 8.945 -17.009 1.00 25.54 C ATOM 120 CG ARG A 8 1.108 9.365 -18.415 1.00 25.32 C ATOM 121 CD ARG A 8 1.020 8.163 -19.343 1.00 30.34 C ATOM 122 NE ARG A 8 -0.324 7.566 -19.306 1.00 40.44 N ATOM 123 CZ ARG A 8 -0.597 6.258 -19.135 1.00 21.20 C ATOM 124 NH1 ARG A 8 0.389 5.352 -19.079 1.00 11.45 N ATOM 125 NH2 ARG A 8 -1.855 5.863 -19.036 1.00 43.21 N ATOM 0 HA ARG A 8 0.107 10.862 -16.312 1.00 4.41 H new ATOM 0 HB2 ARG A 8 1.419 8.163 -16.689 1.00 25.54 H new ATOM 0 HB3 ARG A 8 -0.265 8.500 -17.041 1.00 25.54 H new ATOM 0 HG2 ARG A 8 0.442 10.155 -18.762 1.00 25.32 H new ATOM 0 HG3 ARG A 8 2.119 9.773 -18.425 1.00 25.32 H new ATOM 0 HD2 ARG A 8 1.259 8.468 -20.362 1.00 30.34 H new ATOM 0 HD3 ARG A 8 1.761 7.419 -19.051 1.00 30.34 H new ATOM 0 HE ARG A 8 -1.117 8.197 -19.420 1.00 40.44 H new ATOM 0 HH11 ARG A 8 1.361 5.650 -19.166 1.00 11.45 H new ATOM 0 HH12 ARG A 8 0.168 4.365 -18.949 1.00 11.45 H new ATOM 0 HH21 ARG A 8 -2.610 6.547 -19.089 1.00 43.21 H new ATOM 0 HH22 ARG A 8 -2.070 4.874 -18.906 1.00 43.21 H new ATOM 139 N CYS A 9 -1.051 9.740 -14.409 1.00 3.22 N ATOM 140 CA CYS A 9 -1.670 9.251 -13.226 1.00 1.21 C ATOM 141 C CYS A 9 -2.569 8.078 -13.602 1.00 32.14 C ATOM 142 O CYS A 9 -3.310 8.154 -14.588 1.00 42.44 O ATOM 143 CB CYS A 9 -2.455 10.380 -12.575 1.00 2.02 C ATOM 144 SG CYS A 9 -1.431 11.875 -12.285 1.00 21.44 S ATOM 0 H CYS A 9 -1.657 10.302 -15.007 1.00 3.22 H new ATOM 0 HA CYS A 9 -0.929 8.901 -12.507 1.00 1.21 H new ATOM 0 HB2 CYS A 9 -3.302 10.642 -13.209 1.00 2.02 H new ATOM 0 HB3 CYS A 9 -2.863 10.034 -11.625 1.00 2.02 H new ATOM 149 N PRO A 10 -2.482 6.964 -12.856 1.00 54.11 N ATOM 150 CA PRO A 10 -3.253 5.757 -13.145 1.00 33.04 C ATOM 151 C PRO A 10 -4.788 5.958 -13.052 1.00 74.31 C ATOM 152 O PRO A 10 -5.479 5.944 -14.073 1.00 55.31 O ATOM 153 CB PRO A 10 -2.712 4.718 -12.123 1.00 45.52 C ATOM 154 CG PRO A 10 -2.070 5.522 -11.052 1.00 1.54 C ATOM 155 CD PRO A 10 -1.591 6.790 -11.696 1.00 30.41 C ATOM 0 HA PRO A 10 -3.124 5.433 -14.178 1.00 33.04 H new ATOM 0 HB2 PRO A 10 -3.518 4.102 -11.724 1.00 45.52 H new ATOM 0 HB3 PRO A 10 -1.996 4.042 -12.590 1.00 45.52 H new ATOM 0 HG2 PRO A 10 -2.778 5.737 -10.252 1.00 1.54 H new ATOM 0 HG3 PRO A 10 -1.239 4.977 -10.604 1.00 1.54 H new ATOM 0 HD2 PRO A 10 -1.659 7.635 -11.011 1.00 30.41 H new ATOM 0 HD3 PRO A 10 -0.548 6.712 -12.003 1.00 30.41 H new ATOM 163 N CYS A 11 -5.303 6.172 -11.857 1.00 33.11 N ATOM 164 CA CYS A 11 -6.735 6.319 -11.663 1.00 22.12 C ATOM 165 C CYS A 11 -7.136 7.791 -11.565 1.00 34.55 C ATOM 166 O CYS A 11 -6.871 8.451 -10.562 1.00 64.14 O ATOM 167 CB CYS A 11 -7.180 5.571 -10.412 1.00 11.45 C ATOM 168 SG CYS A 11 -6.762 3.795 -10.422 1.00 35.00 S ATOM 0 H CYS A 11 -4.751 6.248 -11.003 1.00 33.11 H new ATOM 0 HA CYS A 11 -7.234 5.890 -12.532 1.00 22.12 H new ATOM 0 HB2 CYS A 11 -6.721 6.037 -9.540 1.00 11.45 H new ATOM 0 HB3 CYS A 11 -8.259 5.679 -10.301 1.00 11.45 H new ATOM 173 N ARG A 12 -7.766 8.302 -12.593 1.00 1.24 N ATOM 174 CA ARG A 12 -8.213 9.682 -12.582 1.00 64.04 C ATOM 175 C ARG A 12 -9.486 9.723 -11.734 1.00 12.44 C ATOM 176 O ARG A 12 -9.720 10.663 -10.977 1.00 32.32 O ATOM 177 CB ARG A 12 -8.497 10.161 -14.036 1.00 35.42 C ATOM 178 CG ARG A 12 -8.554 11.693 -14.264 1.00 25.34 C ATOM 179 CD ARG A 12 -9.635 12.401 -13.466 1.00 43.04 C ATOM 180 NE ARG A 12 -9.594 13.848 -13.670 1.00 23.22 N ATOM 181 CZ ARG A 12 -9.918 14.774 -12.758 1.00 2.31 C ATOM 182 NH1 ARG A 12 -10.321 14.415 -11.538 1.00 30.21 N ATOM 183 NH2 ARG A 12 -9.839 16.061 -13.074 1.00 64.40 N ATOM 0 H ARG A 12 -7.983 7.789 -13.448 1.00 1.24 H new ATOM 0 HA ARG A 12 -7.454 10.345 -12.166 1.00 64.04 H new ATOM 0 HB2 ARG A 12 -7.726 9.748 -14.687 1.00 35.42 H new ATOM 0 HB3 ARG A 12 -9.447 9.733 -14.356 1.00 35.42 H new ATOM 0 HG2 ARG A 12 -7.587 12.124 -14.006 1.00 25.34 H new ATOM 0 HG3 ARG A 12 -8.716 11.885 -15.325 1.00 25.34 H new ATOM 0 HD2 ARG A 12 -10.613 12.019 -13.759 1.00 43.04 H new ATOM 0 HD3 ARG A 12 -9.510 12.179 -12.406 1.00 43.04 H new ATOM 0 HE ARG A 12 -9.293 14.181 -14.586 1.00 23.22 H new ATOM 0 HH11 ARG A 12 -10.385 13.427 -11.292 1.00 30.21 H new ATOM 0 HH12 ARG A 12 -10.565 15.128 -10.851 1.00 30.21 H new ATOM 0 HH21 ARG A 12 -9.533 16.339 -14.006 1.00 64.40 H new ATOM 0 HH22 ARG A 12 -10.084 16.771 -12.384 1.00 64.40 H new ATOM 197 N PHE A 13 -10.282 8.682 -11.859 1.00 42.20 N ATOM 198 CA PHE A 13 -11.513 8.556 -11.120 1.00 12.25 C ATOM 199 C PHE A 13 -11.362 7.450 -10.096 1.00 24.32 C ATOM 200 O PHE A 13 -10.932 6.336 -10.428 1.00 33.10 O ATOM 201 CB PHE A 13 -12.681 8.263 -12.067 1.00 21.14 C ATOM 202 CG PHE A 13 -12.907 9.334 -13.098 1.00 43.22 C ATOM 203 CD1 PHE A 13 -13.704 10.425 -12.814 1.00 30.43 C ATOM 204 CD2 PHE A 13 -12.321 9.247 -14.346 1.00 4.21 C ATOM 205 CE1 PHE A 13 -13.912 11.412 -13.757 1.00 24.02 C ATOM 206 CE2 PHE A 13 -12.523 10.229 -15.290 1.00 2.00 C ATOM 207 CZ PHE A 13 -13.321 11.314 -14.996 1.00 0.42 C ATOM 0 H PHE A 13 -10.089 7.897 -12.481 1.00 42.20 H new ATOM 0 HA PHE A 13 -11.728 9.494 -10.608 1.00 12.25 H new ATOM 0 HB2 PHE A 13 -12.497 7.316 -12.574 1.00 21.14 H new ATOM 0 HB3 PHE A 13 -13.591 8.139 -11.480 1.00 21.14 H new ATOM 0 HD1 PHE A 13 -14.170 10.507 -11.843 1.00 30.43 H new ATOM 0 HD2 PHE A 13 -11.697 8.398 -14.584 1.00 4.21 H new ATOM 0 HE1 PHE A 13 -14.538 12.260 -13.522 1.00 24.02 H new ATOM 0 HE2 PHE A 13 -12.056 10.149 -16.261 1.00 2.00 H new ATOM 0 HZ PHE A 13 -13.482 12.085 -15.735 1.00 0.42 H new ATOM 217 N PHE A 14 -11.715 7.742 -8.883 1.00 4.55 N ATOM 218 CA PHE A 14 -11.521 6.827 -7.787 1.00 62.13 C ATOM 219 C PHE A 14 -12.754 6.702 -6.898 1.00 4.14 C ATOM 220 O PHE A 14 -13.536 7.619 -6.789 1.00 11.02 O ATOM 221 CB PHE A 14 -10.280 7.242 -6.963 1.00 55.21 C ATOM 222 CG PHE A 14 -10.250 8.708 -6.569 1.00 73.04 C ATOM 223 CD1 PHE A 14 -11.023 9.186 -5.524 1.00 40.11 C ATOM 224 CD2 PHE A 14 -9.438 9.603 -7.255 1.00 54.03 C ATOM 225 CE1 PHE A 14 -10.992 10.525 -5.171 1.00 53.34 C ATOM 226 CE2 PHE A 14 -9.403 10.938 -6.903 1.00 13.13 C ATOM 227 CZ PHE A 14 -10.180 11.399 -5.861 1.00 62.20 C ATOM 0 H PHE A 14 -12.149 8.626 -8.617 1.00 4.55 H new ATOM 0 HA PHE A 14 -11.352 5.839 -8.214 1.00 62.13 H new ATOM 0 HB2 PHE A 14 -10.240 6.635 -6.059 1.00 55.21 H new ATOM 0 HB3 PHE A 14 -9.383 7.015 -7.540 1.00 55.21 H new ATOM 0 HD1 PHE A 14 -11.659 8.505 -4.977 1.00 40.11 H new ATOM 0 HD2 PHE A 14 -8.827 9.251 -8.073 1.00 54.03 H new ATOM 0 HE1 PHE A 14 -11.603 10.884 -4.356 1.00 53.34 H new ATOM 0 HE2 PHE A 14 -8.766 11.622 -7.444 1.00 13.13 H new ATOM 0 HZ PHE A 14 -10.152 12.443 -5.586 1.00 62.20 H new ATOM 237 N GLU A 15 -12.897 5.547 -6.314 1.00 61.15 N ATOM 238 CA GLU A 15 -13.922 5.206 -5.350 1.00 75.31 C ATOM 239 C GLU A 15 -13.668 5.862 -4.017 1.00 53.42 C ATOM 240 O GLU A 15 -12.525 6.202 -3.672 1.00 34.45 O ATOM 241 CB GLU A 15 -13.969 3.693 -5.122 1.00 33.22 C ATOM 242 CG GLU A 15 -14.707 2.883 -6.160 1.00 12.53 C ATOM 243 CD GLU A 15 -14.241 3.069 -7.596 1.00 71.40 C ATOM 244 OE1 GLU A 15 -13.034 2.887 -7.892 1.00 63.14 O ATOM 245 OE2 GLU A 15 -15.089 3.341 -8.459 1.00 32.33 O ATOM 0 H GLU A 15 -12.268 4.767 -6.504 1.00 61.15 H new ATOM 0 HA GLU A 15 -14.867 5.561 -5.761 1.00 75.31 H new ATOM 0 HB2 GLU A 15 -12.945 3.324 -5.064 1.00 33.22 H new ATOM 0 HB3 GLU A 15 -14.430 3.507 -4.152 1.00 33.22 H new ATOM 0 HG2 GLU A 15 -14.617 1.828 -5.902 1.00 12.53 H new ATOM 0 HG3 GLU A 15 -15.766 3.135 -6.106 1.00 12.53 H new ATOM 252 N SER A 16 -14.721 6.064 -3.271 1.00 53.31 N ATOM 253 CA SER A 16 -14.584 6.597 -1.956 1.00 63.24 C ATOM 254 C SER A 16 -15.363 5.756 -0.918 1.00 2.42 C ATOM 255 O SER A 16 -14.782 5.242 0.037 1.00 73.13 O ATOM 256 CB SER A 16 -14.974 8.054 -1.926 1.00 0.34 C ATOM 257 OG SER A 16 -14.222 8.784 -2.872 1.00 63.13 O ATOM 0 H SER A 16 -15.680 5.865 -3.557 1.00 53.31 H new ATOM 0 HA SER A 16 -13.533 6.538 -1.673 1.00 63.24 H new ATOM 0 HB2 SER A 16 -16.038 8.157 -2.140 1.00 0.34 H new ATOM 0 HB3 SER A 16 -14.809 8.461 -0.928 1.00 0.34 H new ATOM 0 HG SER A 16 -14.239 9.736 -2.639 1.00 63.13 H new ATOM 263 N HIS A 17 -16.666 5.609 -1.106 1.00 63.11 N ATOM 264 CA HIS A 17 -17.457 4.771 -0.212 1.00 21.41 C ATOM 265 C HIS A 17 -17.362 3.333 -0.604 1.00 72.41 C ATOM 266 O HIS A 17 -18.156 2.821 -1.388 1.00 65.10 O ATOM 267 CB HIS A 17 -18.917 5.205 -0.071 1.00 3.42 C ATOM 268 CG HIS A 17 -19.137 6.362 0.849 1.00 43.33 C ATOM 269 ND1 HIS A 17 -19.874 6.261 2.002 1.00 70.04 N ATOM 270 CD2 HIS A 17 -18.755 7.654 0.771 1.00 0.43 C ATOM 271 CE1 HIS A 17 -19.938 7.426 2.584 1.00 33.32 C ATOM 272 NE2 HIS A 17 -19.267 8.293 1.864 1.00 51.04 N ATOM 0 H HIS A 17 -17.194 6.052 -1.858 1.00 63.11 H new ATOM 0 HA HIS A 17 -17.017 4.903 0.777 1.00 21.41 H new ATOM 0 HB2 HIS A 17 -19.302 5.464 -1.057 1.00 3.42 H new ATOM 0 HB3 HIS A 17 -19.501 4.357 0.287 1.00 3.42 H new ATOM 0 HD2 HIS A 17 -18.156 8.099 -0.010 1.00 0.43 H new ATOM 0 HE1 HIS A 17 -20.457 7.641 3.506 1.00 33.32 H new ATOM 0 HE2 HIS A 17 -19.147 9.282 2.084 1.00 51.04 H new ATOM 281 N VAL A 18 -16.365 2.713 -0.099 1.00 13.24 N ATOM 282 CA VAL A 18 -16.094 1.356 -0.354 1.00 35.32 C ATOM 283 C VAL A 18 -15.687 0.744 0.982 1.00 22.13 C ATOM 284 O VAL A 18 -15.165 1.458 1.854 1.00 62.42 O ATOM 285 CB VAL A 18 -14.978 1.224 -1.444 1.00 61.31 C ATOM 286 CG1 VAL A 18 -13.653 1.762 -0.987 1.00 34.33 C ATOM 287 CG2 VAL A 18 -14.863 -0.177 -2.007 1.00 33.01 C ATOM 0 H VAL A 18 -15.691 3.155 0.526 1.00 13.24 H new ATOM 0 HA VAL A 18 -16.961 0.829 -0.752 1.00 35.32 H new ATOM 0 HB VAL A 18 -15.301 1.858 -2.270 1.00 61.31 H new ATOM 0 HG11 VAL A 18 -12.918 1.644 -1.783 1.00 34.33 H new ATOM 0 HG12 VAL A 18 -13.755 2.819 -0.741 1.00 34.33 H new ATOM 0 HG13 VAL A 18 -13.323 1.214 -0.104 1.00 34.33 H new ATOM 0 HG21 VAL A 18 -14.073 -0.204 -2.757 1.00 33.01 H new ATOM 0 HG22 VAL A 18 -14.624 -0.874 -1.203 1.00 33.01 H new ATOM 0 HG23 VAL A 18 -15.809 -0.463 -2.466 1.00 33.01 H new ATOM 297 N ALA A 19 -15.933 -0.509 1.170 1.00 34.33 N ATOM 298 CA ALA A 19 -15.702 -1.104 2.450 1.00 60.03 C ATOM 299 C ALA A 19 -14.355 -1.760 2.509 1.00 34.01 C ATOM 300 O ALA A 19 -13.973 -2.491 1.598 1.00 34.53 O ATOM 301 CB ALA A 19 -16.802 -2.102 2.777 1.00 34.03 C ATOM 0 H ALA A 19 -16.294 -1.143 0.457 1.00 34.33 H new ATOM 0 HA ALA A 19 -15.718 -0.312 3.199 1.00 60.03 H new ATOM 0 HB1 ALA A 19 -16.612 -2.546 3.754 1.00 34.03 H new ATOM 0 HB2 ALA A 19 -17.765 -1.591 2.792 1.00 34.03 H new ATOM 0 HB3 ALA A 19 -16.819 -2.886 2.020 1.00 34.03 H new ATOM 307 N ARG A 20 -13.631 -1.512 3.586 1.00 42.24 N ATOM 308 CA ARG A 20 -12.336 -2.141 3.791 1.00 44.33 C ATOM 309 C ARG A 20 -12.508 -3.633 4.051 1.00 64.33 C ATOM 310 O ARG A 20 -11.583 -4.409 3.944 1.00 5.41 O ATOM 311 CB ARG A 20 -11.497 -1.405 4.880 1.00 33.42 C ATOM 312 CG ARG A 20 -12.133 -1.238 6.268 1.00 24.51 C ATOM 313 CD ARG A 20 -12.199 -2.536 7.033 1.00 45.31 C ATOM 314 NE ARG A 20 -12.900 -2.394 8.319 1.00 54.34 N ATOM 315 CZ ARG A 20 -12.498 -2.913 9.496 1.00 40.33 C ATOM 316 NH1 ARG A 20 -11.327 -3.530 9.602 1.00 35.21 N ATOM 317 NH2 ARG A 20 -13.255 -2.775 10.569 1.00 24.24 N ATOM 0 H ARG A 20 -13.917 -0.879 4.333 1.00 42.24 H new ATOM 0 HA ARG A 20 -11.751 -2.048 2.876 1.00 44.33 H new ATOM 0 HB2 ARG A 20 -10.557 -1.944 5.003 1.00 33.42 H new ATOM 0 HB3 ARG A 20 -11.249 -0.413 4.501 1.00 33.42 H new ATOM 0 HG2 ARG A 20 -11.559 -0.511 6.842 1.00 24.51 H new ATOM 0 HG3 ARG A 20 -13.139 -0.834 6.157 1.00 24.51 H new ATOM 0 HD2 ARG A 20 -12.706 -3.287 6.427 1.00 45.31 H new ATOM 0 HD3 ARG A 20 -11.188 -2.901 7.212 1.00 45.31 H new ATOM 0 HE ARG A 20 -13.766 -1.855 8.320 1.00 54.34 H new ATOM 0 HH11 ARG A 20 -10.720 -3.615 8.787 1.00 35.21 H new ATOM 0 HH12 ARG A 20 -11.035 -3.918 10.499 1.00 35.21 H new ATOM 0 HH21 ARG A 20 -14.143 -2.276 10.506 1.00 24.24 H new ATOM 0 HH22 ARG A 20 -12.952 -3.167 11.461 1.00 24.24 H new ATOM 331 N ALA A 21 -13.720 -4.001 4.408 1.00 65.55 N ATOM 332 CA ALA A 21 -14.097 -5.377 4.595 1.00 63.23 C ATOM 333 C ALA A 21 -14.447 -6.028 3.249 1.00 34.42 C ATOM 334 O ALA A 21 -14.646 -7.232 3.174 1.00 2.34 O ATOM 335 CB ALA A 21 -15.264 -5.479 5.559 1.00 3.23 C ATOM 0 H ALA A 21 -14.478 -3.340 4.578 1.00 65.55 H new ATOM 0 HA ALA A 21 -13.250 -5.913 5.023 1.00 63.23 H new ATOM 0 HB1 ALA A 21 -15.537 -6.526 5.690 1.00 3.23 H new ATOM 0 HB2 ALA A 21 -14.979 -5.055 6.522 1.00 3.23 H new ATOM 0 HB3 ALA A 21 -16.116 -4.929 5.159 1.00 3.23 H new ATOM 341 N ASN A 22 -14.560 -5.213 2.201 1.00 55.20 N ATOM 342 CA ASN A 22 -14.934 -5.711 0.870 1.00 24.05 C ATOM 343 C ASN A 22 -13.715 -5.719 -0.078 1.00 63.33 C ATOM 344 O ASN A 22 -13.766 -6.267 -1.174 1.00 34.20 O ATOM 345 CB ASN A 22 -16.090 -4.868 0.277 1.00 34.23 C ATOM 346 CG ASN A 22 -16.638 -5.404 -1.052 1.00 34.22 C ATOM 347 OD1 ASN A 22 -16.629 -6.608 -1.316 1.00 55.33 O ATOM 348 ND2 ASN A 22 -17.133 -4.518 -1.879 1.00 24.32 N ATOM 0 H ASN A 22 -14.399 -4.207 2.243 1.00 55.20 H new ATOM 0 HA ASN A 22 -15.282 -6.738 0.977 1.00 24.05 H new ATOM 0 HB2 ASN A 22 -16.903 -4.825 1.002 1.00 34.23 H new ATOM 0 HB3 ASN A 22 -15.741 -3.846 0.128 1.00 34.23 H new ATOM 0 HD21 ASN A 22 -17.526 -4.817 -2.771 1.00 24.32 H new ATOM 0 HD22 ASN A 22 -17.126 -3.529 -1.631 1.00 24.32 H new ATOM 355 N VAL A 23 -12.623 -5.122 0.353 1.00 4.22 N ATOM 356 CA VAL A 23 -11.399 -5.125 -0.458 1.00 71.44 C ATOM 357 C VAL A 23 -10.473 -6.283 -0.042 1.00 33.41 C ATOM 358 O VAL A 23 -10.552 -6.761 1.072 1.00 34.51 O ATOM 359 CB VAL A 23 -10.621 -3.791 -0.341 1.00 21.13 C ATOM 360 CG1 VAL A 23 -11.461 -2.623 -0.843 1.00 52.34 C ATOM 361 CG2 VAL A 23 -10.187 -3.552 1.089 1.00 53.13 C ATOM 0 H VAL A 23 -12.546 -4.633 1.245 1.00 4.22 H new ATOM 0 HA VAL A 23 -11.711 -5.254 -1.495 1.00 71.44 H new ATOM 0 HB VAL A 23 -9.732 -3.864 -0.967 1.00 21.13 H new ATOM 0 HG11 VAL A 23 -10.891 -1.698 -0.750 1.00 52.34 H new ATOM 0 HG12 VAL A 23 -11.721 -2.785 -1.889 1.00 52.34 H new ATOM 0 HG13 VAL A 23 -12.372 -2.549 -0.250 1.00 52.34 H new ATOM 0 HG21 VAL A 23 -9.642 -2.610 1.151 1.00 53.13 H new ATOM 0 HG22 VAL A 23 -11.065 -3.506 1.733 1.00 53.13 H new ATOM 0 HG23 VAL A 23 -9.541 -4.367 1.414 1.00 53.13 H new ATOM 371 N LYS A 24 -9.633 -6.738 -0.964 1.00 4.50 N ATOM 372 CA LYS A 24 -8.675 -7.816 -0.703 1.00 74.41 C ATOM 373 C LYS A 24 -7.285 -7.268 -0.388 1.00 30.31 C ATOM 374 O LYS A 24 -6.553 -7.843 0.392 1.00 43.13 O ATOM 375 CB LYS A 24 -8.584 -8.774 -1.892 1.00 53.24 C ATOM 376 CG LYS A 24 -9.879 -9.457 -2.213 1.00 60.55 C ATOM 377 CD LYS A 24 -9.754 -10.462 -3.371 1.00 11.42 C ATOM 378 CE LYS A 24 -9.462 -9.783 -4.695 1.00 74.22 C ATOM 379 NZ LYS A 24 -9.361 -10.750 -5.819 1.00 52.45 N ATOM 0 H LYS A 24 -9.593 -6.373 -1.915 1.00 4.50 H new ATOM 0 HA LYS A 24 -9.042 -8.360 0.167 1.00 74.41 H new ATOM 0 HB2 LYS A 24 -8.248 -8.221 -2.769 1.00 53.24 H new ATOM 0 HB3 LYS A 24 -7.827 -9.529 -1.682 1.00 53.24 H new ATOM 0 HG2 LYS A 24 -10.240 -9.976 -1.325 1.00 60.55 H new ATOM 0 HG3 LYS A 24 -10.626 -8.706 -2.469 1.00 60.55 H new ATOM 0 HD2 LYS A 24 -8.959 -11.173 -3.147 1.00 11.42 H new ATOM 0 HD3 LYS A 24 -10.679 -11.033 -3.455 1.00 11.42 H new ATOM 0 HE2 LYS A 24 -10.249 -9.061 -4.911 1.00 74.22 H new ATOM 0 HE3 LYS A 24 -8.530 -9.224 -4.615 1.00 74.22 H new ATOM 0 HZ1 LYS A 24 -9.161 -10.237 -6.701 1.00 52.45 H new ATOM 0 HZ2 LYS A 24 -8.593 -11.425 -5.629 1.00 52.45 H new ATOM 0 HZ3 LYS A 24 -10.259 -11.266 -5.915 1.00 52.45 H new ATOM 393 N HIS A 25 -6.912 -6.173 -1.028 1.00 5.20 N ATOM 394 CA HIS A 25 -5.600 -5.543 -0.739 1.00 13.01 C ATOM 395 C HIS A 25 -5.600 -4.105 -1.162 1.00 42.55 C ATOM 396 O HIS A 25 -6.470 -3.689 -1.908 1.00 15.14 O ATOM 397 CB HIS A 25 -4.385 -6.265 -1.430 1.00 55.11 C ATOM 398 CG HIS A 25 -4.195 -6.045 -2.940 1.00 70.04 C ATOM 399 ND1 HIS A 25 -4.007 -4.901 -3.676 1.00 73.21 N flip ATOM 400 CD2 HIS A 25 -4.073 -7.064 -3.836 1.00 65.23 C flip ATOM 401 CE1 HIS A 25 -3.780 -5.279 -4.966 1.00 75.13 C flip ATOM 402 NE2 HIS A 25 -3.823 -6.589 -5.026 1.00 62.20 N flip ATOM 0 H HIS A 25 -7.471 -5.698 -1.737 1.00 5.20 H new ATOM 0 HA HIS A 25 -5.468 -5.632 0.339 1.00 13.01 H new ATOM 0 HB2 HIS A 25 -3.473 -5.946 -0.926 1.00 55.11 H new ATOM 0 HB3 HIS A 25 -4.487 -7.336 -1.256 1.00 55.11 H new ATOM 0 HD2 HIS A 25 -4.169 -8.113 -3.597 1.00 65.23 H new ATOM 0 HE1 HIS A 25 -3.596 -4.614 -5.797 1.00 75.13 H new ATOM 0 HE2 HIS A 25 -3.683 -7.147 -5.868 1.00 62.20 H new ATOM 411 N LEU A 26 -4.583 -3.371 -0.737 1.00 42.13 N ATOM 412 CA LEU A 26 -4.375 -1.986 -1.163 1.00 34.12 C ATOM 413 C LEU A 26 -3.018 -1.874 -1.844 1.00 23.11 C ATOM 414 O LEU A 26 -2.047 -2.422 -1.365 1.00 61.43 O ATOM 415 CB LEU A 26 -4.416 -0.983 0.024 1.00 44.53 C ATOM 416 CG LEU A 26 -5.770 -0.680 0.708 1.00 0.34 C ATOM 417 CD1 LEU A 26 -6.377 -1.897 1.370 1.00 52.50 C ATOM 418 CD2 LEU A 26 -5.595 0.436 1.718 1.00 54.02 C ATOM 0 H LEU A 26 -3.876 -3.714 -0.087 1.00 42.13 H new ATOM 0 HA LEU A 26 -5.186 -1.731 -1.845 1.00 34.12 H new ATOM 0 HB2 LEU A 26 -3.736 -1.354 0.791 1.00 44.53 H new ATOM 0 HB3 LEU A 26 -4.009 -0.037 -0.332 1.00 44.53 H new ATOM 0 HG LEU A 26 -6.465 -0.369 -0.072 1.00 0.34 H new ATOM 0 HD11 LEU A 26 -7.325 -1.624 1.833 1.00 52.50 H new ATOM 0 HD12 LEU A 26 -6.548 -2.671 0.622 1.00 52.50 H new ATOM 0 HD13 LEU A 26 -5.696 -2.274 2.133 1.00 52.50 H new ATOM 0 HD21 LEU A 26 -6.551 0.646 2.197 1.00 54.02 H new ATOM 0 HD22 LEU A 26 -4.869 0.133 2.473 1.00 54.02 H new ATOM 0 HD23 LEU A 26 -5.238 1.333 1.211 1.00 54.02 H new ATOM 430 N LYS A 27 -2.959 -1.212 -2.969 1.00 34.34 N ATOM 431 CA LYS A 27 -1.683 -0.979 -3.634 1.00 74.12 C ATOM 432 C LYS A 27 -1.506 0.484 -3.942 1.00 65.51 C ATOM 433 O LYS A 27 -2.346 1.084 -4.586 1.00 52.21 O ATOM 434 CB LYS A 27 -1.492 -1.855 -4.890 1.00 13.35 C ATOM 435 CG LYS A 27 -0.192 -1.557 -5.643 1.00 51.51 C ATOM 436 CD LYS A 27 0.169 -2.626 -6.670 1.00 2.11 C ATOM 437 CE LYS A 27 -0.904 -2.865 -7.695 1.00 23.11 C ATOM 438 NZ LYS A 27 -0.501 -3.916 -8.663 1.00 53.32 N ATOM 0 H LYS A 27 -3.769 -0.822 -3.450 1.00 34.34 H new ATOM 0 HA LYS A 27 -0.899 -1.281 -2.939 1.00 74.12 H new ATOM 0 HB2 LYS A 27 -1.502 -2.905 -4.597 1.00 13.35 H new ATOM 0 HB3 LYS A 27 -2.336 -1.703 -5.562 1.00 13.35 H new ATOM 0 HG2 LYS A 27 -0.285 -0.595 -6.147 1.00 51.51 H new ATOM 0 HG3 LYS A 27 0.623 -1.463 -4.925 1.00 51.51 H new ATOM 0 HD2 LYS A 27 1.087 -2.333 -7.179 1.00 2.11 H new ATOM 0 HD3 LYS A 27 0.378 -3.561 -6.150 1.00 2.11 H new ATOM 0 HE2 LYS A 27 -1.827 -3.162 -7.196 1.00 23.11 H new ATOM 0 HE3 LYS A 27 -1.114 -1.938 -8.228 1.00 23.11 H new ATOM 0 HZ1 LYS A 27 -1.262 -4.058 -9.358 1.00 53.32 H new ATOM 0 HZ2 LYS A 27 0.366 -3.621 -9.155 1.00 53.32 H new ATOM 0 HZ3 LYS A 27 -0.325 -4.806 -8.155 1.00 53.32 H new ATOM 452 N ILE A 28 -0.407 1.039 -3.494 1.00 30.40 N ATOM 453 CA ILE A 28 -0.165 2.445 -3.617 1.00 63.15 C ATOM 454 C ILE A 28 0.855 2.743 -4.730 1.00 30.41 C ATOM 455 O ILE A 28 2.006 2.246 -4.716 1.00 72.12 O ATOM 456 CB ILE A 28 0.339 3.045 -2.275 1.00 62.45 C ATOM 457 CG1 ILE A 28 -0.607 2.645 -1.123 1.00 62.41 C ATOM 458 CG2 ILE A 28 0.413 4.571 -2.379 1.00 63.23 C ATOM 459 CD1 ILE A 28 -0.175 3.144 0.243 1.00 3.03 C ATOM 0 H ILE A 28 0.343 0.523 -3.034 1.00 30.40 H new ATOM 0 HA ILE A 28 -1.114 2.912 -3.879 1.00 63.15 H new ATOM 0 HB ILE A 28 1.334 2.652 -2.068 1.00 62.45 H new ATOM 0 HG12 ILE A 28 -1.604 3.029 -1.338 1.00 62.41 H new ATOM 0 HG13 ILE A 28 -0.683 1.558 -1.092 1.00 62.41 H new ATOM 0 HG21 ILE A 28 0.767 4.983 -1.434 1.00 63.23 H new ATOM 0 HG22 ILE A 28 1.102 4.848 -3.177 1.00 63.23 H new ATOM 0 HG23 ILE A 28 -0.577 4.969 -2.600 1.00 63.23 H new ATOM 0 HD11 ILE A 28 -0.895 2.818 0.994 1.00 3.03 H new ATOM 0 HD12 ILE A 28 0.808 2.740 0.484 1.00 3.03 H new ATOM 0 HD13 ILE A 28 -0.127 4.233 0.234 1.00 3.03 H new ATOM 471 N LEU A 29 0.403 3.512 -5.688 1.00 71.41 N ATOM 472 CA LEU A 29 1.200 4.041 -6.776 1.00 63.21 C ATOM 473 C LEU A 29 1.351 5.549 -6.562 1.00 61.34 C ATOM 474 O LEU A 29 0.456 6.324 -6.890 1.00 4.10 O ATOM 475 CB LEU A 29 0.531 3.773 -8.171 1.00 43.23 C ATOM 476 CG LEU A 29 0.614 2.349 -8.804 1.00 63.23 C ATOM 477 CD1 LEU A 29 2.032 1.991 -9.148 1.00 31.41 C ATOM 478 CD2 LEU A 29 -0.013 1.267 -7.936 1.00 20.41 C ATOM 0 H LEU A 29 -0.574 3.802 -5.737 1.00 71.41 H new ATOM 0 HA LEU A 29 2.170 3.544 -6.779 1.00 63.21 H new ATOM 0 HB2 LEU A 29 -0.525 4.029 -8.081 1.00 43.23 H new ATOM 0 HB3 LEU A 29 0.969 4.473 -8.883 1.00 43.23 H new ATOM 0 HG LEU A 29 0.026 2.394 -9.721 1.00 63.23 H new ATOM 0 HD11 LEU A 29 2.059 0.994 -9.587 1.00 31.41 H new ATOM 0 HD12 LEU A 29 2.426 2.713 -9.863 1.00 31.41 H new ATOM 0 HD13 LEU A 29 2.641 2.006 -8.244 1.00 31.41 H new ATOM 0 HD21 LEU A 29 0.079 0.302 -8.434 1.00 20.41 H new ATOM 0 HD22 LEU A 29 0.500 1.229 -6.975 1.00 20.41 H new ATOM 0 HD23 LEU A 29 -1.067 1.494 -7.776 1.00 20.41 H new ATOM 490 N ASN A 30 2.437 5.968 -5.966 1.00 45.04 N ATOM 491 CA ASN A 30 2.618 7.386 -5.716 1.00 55.02 C ATOM 492 C ASN A 30 3.377 8.028 -6.855 1.00 31.22 C ATOM 493 O ASN A 30 4.565 7.810 -7.032 1.00 21.34 O ATOM 494 CB ASN A 30 3.280 7.664 -4.351 1.00 33.50 C ATOM 495 CG ASN A 30 3.467 9.167 -4.041 1.00 4.13 C ATOM 496 OD1 ASN A 30 2.592 10.017 -4.551 1.00 53.51 O flip ATOM 497 ND2 ASN A 30 4.387 9.549 -3.327 1.00 51.44 N flip ATOM 0 H ASN A 30 3.198 5.368 -5.648 1.00 45.04 H new ATOM 0 HA ASN A 30 1.629 7.842 -5.666 1.00 55.02 H new ATOM 0 HB2 ASN A 30 2.673 7.214 -3.565 1.00 33.50 H new ATOM 0 HB3 ASN A 30 4.253 7.173 -4.323 1.00 33.50 H new ATOM 0 HD21 ASN A 30 5.050 8.875 -2.945 1.00 51.44 H new ATOM 0 HD22 ASN A 30 4.490 10.541 -3.115 1.00 51.44 H new ATOM 504 N THR A 31 2.651 8.778 -7.644 1.00 11.51 N ATOM 505 CA THR A 31 3.200 9.472 -8.779 1.00 61.44 C ATOM 506 C THR A 31 3.700 10.857 -8.350 1.00 25.35 C ATOM 507 O THR A 31 3.240 11.389 -7.345 1.00 61.14 O ATOM 508 CB THR A 31 2.100 9.646 -9.848 1.00 13.53 C ATOM 509 OG1 THR A 31 0.992 10.371 -9.273 1.00 53.22 O ATOM 510 CG2 THR A 31 1.606 8.290 -10.351 1.00 43.51 C ATOM 0 H THR A 31 1.650 8.925 -7.514 1.00 11.51 H new ATOM 0 HA THR A 31 4.031 8.895 -9.185 1.00 61.44 H new ATOM 0 HB THR A 31 2.518 10.197 -10.691 1.00 13.53 H new ATOM 0 HG1 THR A 31 1.225 10.658 -8.365 1.00 53.22 H new ATOM 0 HG21 THR A 31 0.832 8.441 -11.103 1.00 43.51 H new ATOM 0 HG22 THR A 31 2.438 7.740 -10.792 1.00 43.51 H new ATOM 0 HG23 THR A 31 1.196 7.720 -9.517 1.00 43.51 H new ATOM 518 N PRO A 32 4.622 11.463 -9.104 1.00 35.03 N ATOM 519 CA PRO A 32 5.121 12.807 -8.808 1.00 62.43 C ATOM 520 C PRO A 32 4.236 13.893 -9.457 1.00 42.21 C ATOM 521 O PRO A 32 4.697 15.004 -9.758 1.00 21.41 O ATOM 522 CB PRO A 32 6.506 12.786 -9.456 1.00 71.00 C ATOM 523 CG PRO A 32 6.364 11.885 -10.640 1.00 53.14 C ATOM 524 CD PRO A 32 5.284 10.884 -10.299 1.00 22.21 C ATOM 0 HA PRO A 32 5.130 13.040 -7.743 1.00 62.43 H new ATOM 0 HB2 PRO A 32 6.817 13.787 -9.756 1.00 71.00 H new ATOM 0 HB3 PRO A 32 7.260 12.412 -8.764 1.00 71.00 H new ATOM 0 HG2 PRO A 32 6.096 12.455 -11.530 1.00 53.14 H new ATOM 0 HG3 PRO A 32 7.305 11.380 -10.857 1.00 53.14 H new ATOM 0 HD2 PRO A 32 4.582 10.759 -11.123 1.00 22.21 H new ATOM 0 HD3 PRO A 32 5.704 9.901 -10.086 1.00 22.21 H new ATOM 532 N ASN A 33 2.965 13.580 -9.638 1.00 72.55 N ATOM 533 CA ASN A 33 2.026 14.501 -10.286 1.00 13.23 C ATOM 534 C ASN A 33 0.654 14.433 -9.610 1.00 61.53 C ATOM 535 O ASN A 33 -0.048 15.437 -9.499 1.00 35.31 O ATOM 536 CB ASN A 33 1.912 14.172 -11.787 1.00 14.25 C ATOM 537 CG ASN A 33 1.010 15.133 -12.556 1.00 0.41 C ATOM 538 OD1 ASN A 33 1.464 16.171 -13.039 1.00 10.40 O ATOM 539 ND2 ASN A 33 -0.246 14.784 -12.710 1.00 74.44 N ATOM 0 H ASN A 33 2.551 12.694 -9.347 1.00 72.55 H new ATOM 0 HA ASN A 33 2.404 15.518 -10.182 1.00 13.23 H new ATOM 0 HB2 ASN A 33 2.908 14.188 -12.231 1.00 14.25 H new ATOM 0 HB3 ASN A 33 1.529 13.158 -11.900 1.00 14.25 H new ATOM 0 HD21 ASN A 33 -0.879 15.380 -13.244 1.00 74.44 H new ATOM 0 HD22 ASN A 33 -0.589 13.917 -12.296 1.00 74.44 H new ATOM 546 N CYS A 34 0.296 13.255 -9.158 1.00 51.01 N ATOM 547 CA CYS A 34 -0.958 13.021 -8.466 1.00 11.12 C ATOM 548 C CYS A 34 -0.675 12.373 -7.125 1.00 72.40 C ATOM 549 O CYS A 34 0.435 11.857 -6.912 1.00 20.25 O ATOM 550 CB CYS A 34 -1.904 12.149 -9.307 1.00 23.04 C ATOM 551 SG CYS A 34 -2.435 12.918 -10.875 1.00 54.00 S ATOM 0 H CYS A 34 0.871 12.419 -9.259 1.00 51.01 H new ATOM 0 HA CYS A 34 -1.457 13.977 -8.306 1.00 11.12 H new ATOM 0 HB2 CYS A 34 -1.408 11.204 -9.529 1.00 23.04 H new ATOM 0 HB3 CYS A 34 -2.787 11.914 -8.713 1.00 23.04 H new ATOM 556 N ALA A 35 -1.650 12.427 -6.223 1.00 13.34 N ATOM 557 CA ALA A 35 -1.526 11.899 -4.861 1.00 43.51 C ATOM 558 C ALA A 35 -1.186 10.396 -4.826 1.00 3.31 C ATOM 559 O ALA A 35 -0.971 9.752 -5.862 1.00 22.13 O ATOM 560 CB ALA A 35 -2.814 12.161 -4.091 1.00 74.42 C ATOM 0 H ALA A 35 -2.561 12.843 -6.416 1.00 13.34 H new ATOM 0 HA ALA A 35 -0.692 12.420 -4.390 1.00 43.51 H new ATOM 0 HB1 ALA A 35 -2.719 11.768 -3.079 1.00 74.42 H new ATOM 0 HB2 ALA A 35 -3.000 13.234 -4.047 1.00 74.42 H new ATOM 0 HB3 ALA A 35 -3.646 11.669 -4.595 1.00 74.42 H new ATOM 566 N CYS A 36 -1.133 9.844 -3.627 1.00 31.43 N ATOM 567 CA CYS A 36 -0.824 8.445 -3.451 1.00 3.22 C ATOM 568 C CYS A 36 -1.997 7.580 -3.911 1.00 2.54 C ATOM 569 O CYS A 36 -2.923 7.329 -3.167 1.00 41.23 O ATOM 570 CB CYS A 36 -0.438 8.155 -1.991 1.00 22.20 C ATOM 571 SG CYS A 36 0.979 9.158 -1.393 1.00 13.01 S ATOM 0 H CYS A 36 -1.302 10.351 -2.758 1.00 31.43 H new ATOM 0 HA CYS A 36 0.036 8.192 -4.071 1.00 3.22 H new ATOM 0 HB2 CYS A 36 -1.301 8.342 -1.352 1.00 22.20 H new ATOM 0 HB3 CYS A 36 -0.192 7.098 -1.892 1.00 22.20 H new ATOM 576 N GLN A 37 -1.958 7.230 -5.175 1.00 15.24 N ATOM 577 CA GLN A 37 -2.952 6.400 -5.835 1.00 30.12 C ATOM 578 C GLN A 37 -3.042 5.058 -5.187 1.00 62.54 C ATOM 579 O GLN A 37 -2.095 4.296 -5.209 1.00 10.13 O ATOM 580 CB GLN A 37 -2.549 6.215 -7.287 1.00 35.11 C ATOM 581 CG GLN A 37 -2.594 7.473 -8.111 1.00 23.42 C ATOM 582 CD GLN A 37 -4.002 7.873 -8.419 1.00 45.11 C ATOM 583 OE1 GLN A 37 -4.546 7.461 -9.427 1.00 21.12 O ATOM 584 NE2 GLN A 37 -4.605 8.655 -7.571 1.00 72.40 N ATOM 0 H GLN A 37 -1.207 7.524 -5.800 1.00 15.24 H new ATOM 0 HA GLN A 37 -3.922 6.891 -5.760 1.00 30.12 H new ATOM 0 HB2 GLN A 37 -1.538 5.809 -7.322 1.00 35.11 H new ATOM 0 HB3 GLN A 37 -3.206 5.474 -7.742 1.00 35.11 H new ATOM 0 HG2 GLN A 37 -2.094 8.279 -7.574 1.00 23.42 H new ATOM 0 HG3 GLN A 37 -2.046 7.321 -9.041 1.00 23.42 H new ATOM 0 HE21 GLN A 37 -4.114 8.979 -6.738 1.00 72.40 H new ATOM 0 HE22 GLN A 37 -5.568 8.944 -7.740 1.00 72.40 H new ATOM 593 N ILE A 38 -4.151 4.774 -4.603 1.00 11.12 N ATOM 594 CA ILE A 38 -4.336 3.505 -3.991 1.00 31.51 C ATOM 595 C ILE A 38 -5.305 2.725 -4.843 1.00 62.14 C ATOM 596 O ILE A 38 -6.372 3.218 -5.170 1.00 54.41 O ATOM 597 CB ILE A 38 -4.904 3.645 -2.560 1.00 25.11 C ATOM 598 CG1 ILE A 38 -4.064 4.657 -1.768 1.00 53.42 C ATOM 599 CG2 ILE A 38 -4.870 2.288 -1.855 1.00 1.13 C ATOM 600 CD1 ILE A 38 -4.498 4.854 -0.336 1.00 21.14 C ATOM 0 H ILE A 38 -4.949 5.406 -4.535 1.00 11.12 H new ATOM 0 HA ILE A 38 -3.375 2.996 -3.914 1.00 31.51 H new ATOM 0 HB ILE A 38 -5.935 3.995 -2.616 1.00 25.11 H new ATOM 0 HG12 ILE A 38 -3.024 4.331 -1.776 1.00 53.42 H new ATOM 0 HG13 ILE A 38 -4.101 5.619 -2.280 1.00 53.42 H new ATOM 0 HG21 ILE A 38 -5.271 2.392 -0.847 1.00 1.13 H new ATOM 0 HG22 ILE A 38 -5.473 1.572 -2.414 1.00 1.13 H new ATOM 0 HG23 ILE A 38 -3.841 1.932 -1.801 1.00 1.13 H new ATOM 0 HD11 ILE A 38 -3.848 5.585 0.144 1.00 21.14 H new ATOM 0 HD12 ILE A 38 -5.527 5.213 -0.314 1.00 21.14 H new ATOM 0 HD13 ILE A 38 -4.433 3.906 0.198 1.00 21.14 H new ATOM 612 N VAL A 39 -4.926 1.554 -5.244 1.00 12.31 N ATOM 613 CA VAL A 39 -5.787 0.715 -6.038 1.00 73.04 C ATOM 614 C VAL A 39 -6.011 -0.605 -5.300 1.00 31.14 C ATOM 615 O VAL A 39 -5.047 -1.273 -4.885 1.00 11.44 O ATOM 616 CB VAL A 39 -5.200 0.461 -7.453 1.00 55.21 C ATOM 617 CG1 VAL A 39 -6.195 -0.305 -8.314 1.00 51.23 C ATOM 618 CG2 VAL A 39 -4.807 1.783 -8.129 1.00 31.52 C ATOM 0 H VAL A 39 -4.015 1.146 -5.035 1.00 12.31 H new ATOM 0 HA VAL A 39 -6.740 1.226 -6.179 1.00 73.04 H new ATOM 0 HB VAL A 39 -4.300 -0.144 -7.343 1.00 55.21 H new ATOM 0 HG11 VAL A 39 -5.767 -0.474 -9.302 1.00 51.23 H new ATOM 0 HG12 VAL A 39 -6.418 -1.264 -7.846 1.00 51.23 H new ATOM 0 HG13 VAL A 39 -7.114 0.274 -8.411 1.00 51.23 H new ATOM 0 HG21 VAL A 39 -4.399 1.578 -9.119 1.00 31.52 H new ATOM 0 HG22 VAL A 39 -5.687 2.419 -8.224 1.00 31.52 H new ATOM 0 HG23 VAL A 39 -4.056 2.291 -7.525 1.00 31.52 H new ATOM 628 N ALA A 40 -7.256 -0.972 -5.138 1.00 15.22 N ATOM 629 CA ALA A 40 -7.630 -2.125 -4.361 1.00 5.30 C ATOM 630 C ALA A 40 -8.461 -3.100 -5.169 1.00 2.30 C ATOM 631 O ALA A 40 -9.242 -2.710 -6.007 1.00 42.51 O ATOM 632 CB ALA A 40 -8.417 -1.684 -3.138 1.00 31.02 C ATOM 0 H ALA A 40 -8.047 -0.473 -5.546 1.00 15.22 H new ATOM 0 HA ALA A 40 -6.715 -2.632 -4.056 1.00 5.30 H new ATOM 0 HB1 ALA A 40 -8.699 -2.559 -2.552 1.00 31.02 H new ATOM 0 HB2 ALA A 40 -7.802 -1.022 -2.529 1.00 31.02 H new ATOM 0 HB3 ALA A 40 -9.316 -1.155 -3.455 1.00 31.02 H new ATOM 638 N ARG A 41 -8.285 -4.357 -4.898 1.00 11.21 N ATOM 639 CA ARG A 41 -9.080 -5.392 -5.526 1.00 60.13 C ATOM 640 C ARG A 41 -10.203 -5.759 -4.592 1.00 4.34 C ATOM 641 O ARG A 41 -9.947 -6.020 -3.443 1.00 0.23 O ATOM 642 CB ARG A 41 -8.252 -6.659 -5.775 1.00 64.41 C ATOM 643 CG ARG A 41 -7.224 -6.611 -6.873 1.00 23.13 C ATOM 644 CD ARG A 41 -6.538 -7.964 -6.945 1.00 41.50 C ATOM 645 NE ARG A 41 -5.619 -8.094 -8.065 1.00 10.24 N ATOM 646 CZ ARG A 41 -4.727 -9.087 -8.212 1.00 3.35 C ATOM 647 NH1 ARG A 41 -4.504 -9.962 -7.210 1.00 22.51 N ATOM 648 NH2 ARG A 41 -4.043 -9.180 -9.351 1.00 4.30 N ATOM 0 H ARG A 41 -7.590 -4.704 -4.237 1.00 11.21 H new ATOM 0 HA ARG A 41 -9.447 -5.012 -6.480 1.00 60.13 H new ATOM 0 HB2 ARG A 41 -7.741 -6.915 -4.847 1.00 64.41 H new ATOM 0 HB3 ARG A 41 -8.942 -7.474 -5.995 1.00 64.41 H new ATOM 0 HG2 ARG A 41 -7.697 -6.374 -7.826 1.00 23.13 H new ATOM 0 HG3 ARG A 41 -6.494 -5.826 -6.676 1.00 23.13 H new ATOM 0 HD2 ARG A 41 -5.992 -8.135 -6.017 1.00 41.50 H new ATOM 0 HD3 ARG A 41 -7.297 -8.743 -7.017 1.00 41.50 H new ATOM 0 HE ARG A 41 -5.655 -7.379 -8.792 1.00 10.24 H new ATOM 0 HH11 ARG A 41 -5.015 -9.873 -6.332 1.00 22.51 H new ATOM 0 HH12 ARG A 41 -3.825 -10.713 -7.331 1.00 22.51 H new ATOM 0 HH21 ARG A 41 -4.200 -8.502 -10.097 1.00 4.30 H new ATOM 0 HH22 ARG A 41 -3.362 -9.929 -9.477 1.00 4.30 H new ATOM 662 N LEU A 42 -11.422 -5.753 -5.067 1.00 5.25 N ATOM 663 CA LEU A 42 -12.558 -6.173 -4.251 1.00 74.21 C ATOM 664 C LEU A 42 -12.644 -7.704 -4.185 1.00 62.45 C ATOM 665 O LEU A 42 -12.211 -8.404 -5.118 1.00 43.03 O ATOM 666 CB LEU A 42 -13.867 -5.587 -4.776 1.00 41.31 C ATOM 667 CG LEU A 42 -14.020 -4.065 -4.752 1.00 51.11 C ATOM 668 CD1 LEU A 42 -15.363 -3.666 -5.344 1.00 34.15 C ATOM 669 CD2 LEU A 42 -13.905 -3.544 -3.339 1.00 4.24 C ATOM 0 H LEU A 42 -11.665 -5.463 -6.014 1.00 5.25 H new ATOM 0 HA LEU A 42 -12.399 -5.790 -3.243 1.00 74.21 H new ATOM 0 HB2 LEU A 42 -13.996 -5.922 -5.805 1.00 41.31 H new ATOM 0 HB3 LEU A 42 -14.684 -6.016 -4.196 1.00 41.31 H new ATOM 0 HG LEU A 42 -13.222 -3.627 -5.351 1.00 51.11 H new ATOM 0 HD11 LEU A 42 -15.462 -2.581 -5.322 1.00 34.15 H new ATOM 0 HD12 LEU A 42 -15.425 -4.015 -6.375 1.00 34.15 H new ATOM 0 HD13 LEU A 42 -16.166 -4.115 -4.760 1.00 34.15 H new ATOM 0 HD21 LEU A 42 -14.016 -2.460 -3.341 1.00 4.24 H new ATOM 0 HD22 LEU A 42 -14.687 -3.988 -2.723 1.00 4.24 H new ATOM 0 HD23 LEU A 42 -12.929 -3.808 -2.932 1.00 4.24 H new ATOM 681 N LYS A 43 -13.174 -8.203 -3.079 1.00 21.43 N ATOM 682 CA LYS A 43 -13.285 -9.632 -2.789 1.00 23.05 C ATOM 683 C LYS A 43 -14.100 -10.441 -3.794 1.00 21.54 C ATOM 684 O LYS A 43 -14.974 -9.919 -4.508 1.00 22.21 O ATOM 685 CB LYS A 43 -13.849 -9.808 -1.395 1.00 1.01 C ATOM 686 CG LYS A 43 -12.960 -9.210 -0.336 1.00 44.34 C ATOM 687 CD LYS A 43 -13.644 -9.118 0.991 1.00 45.33 C ATOM 688 CE LYS A 43 -13.945 -10.468 1.616 1.00 65.23 C ATOM 689 NZ LYS A 43 -14.678 -10.321 2.905 1.00 43.13 N ATOM 0 H LYS A 43 -13.550 -7.613 -2.336 1.00 21.43 H new ATOM 0 HA LYS A 43 -12.275 -10.034 -2.867 1.00 23.05 H new ATOM 0 HB2 LYS A 43 -14.834 -9.344 -1.343 1.00 1.01 H new ATOM 0 HB3 LYS A 43 -13.986 -10.870 -1.193 1.00 1.01 H new ATOM 0 HG2 LYS A 43 -12.059 -9.815 -0.237 1.00 44.34 H new ATOM 0 HG3 LYS A 43 -12.643 -8.215 -0.649 1.00 44.34 H new ATOM 0 HD2 LYS A 43 -13.018 -8.543 1.673 1.00 45.33 H new ATOM 0 HD3 LYS A 43 -14.577 -8.566 0.872 1.00 45.33 H new ATOM 0 HE2 LYS A 43 -14.539 -11.066 0.925 1.00 65.23 H new ATOM 0 HE3 LYS A 43 -13.013 -11.008 1.785 1.00 65.23 H new ATOM 0 HZ1 LYS A 43 -14.161 -10.819 3.657 1.00 43.13 H new ATOM 0 HZ2 LYS A 43 -14.755 -9.313 3.147 1.00 43.13 H new ATOM 0 HZ3 LYS A 43 -15.630 -10.729 2.811 1.00 43.13 H new ATOM 745 N ARG A 47 -14.735 -6.304 -8.960 1.00 55.42 N ATOM 746 CA ARG A 47 -13.648 -5.717 -9.741 1.00 23.14 C ATOM 747 C ARG A 47 -12.667 -4.924 -8.868 1.00 30.53 C ATOM 748 O ARG A 47 -12.782 -4.909 -7.645 1.00 74.11 O ATOM 749 CB ARG A 47 -14.196 -4.905 -10.973 1.00 72.11 C ATOM 750 CG ARG A 47 -15.119 -3.678 -10.711 1.00 33.23 C ATOM 751 CD ARG A 47 -14.359 -2.441 -10.220 1.00 75.03 C ATOM 752 NE ARG A 47 -15.231 -1.256 -10.053 1.00 31.03 N ATOM 753 CZ ARG A 47 -14.804 0.022 -9.861 1.00 14.32 C ATOM 754 NH1 ARG A 47 -13.505 0.324 -9.901 1.00 53.14 N ATOM 755 NH2 ARG A 47 -15.692 0.985 -9.639 1.00 23.15 N ATOM 0 HA ARG A 47 -13.061 -6.536 -10.157 1.00 23.14 H new ATOM 0 HB2 ARG A 47 -13.337 -4.556 -11.547 1.00 72.11 H new ATOM 0 HB3 ARG A 47 -14.743 -5.600 -11.610 1.00 72.11 H new ATOM 0 HG2 ARG A 47 -15.650 -3.429 -11.630 1.00 33.23 H new ATOM 0 HG3 ARG A 47 -15.872 -3.950 -9.972 1.00 33.23 H new ATOM 0 HD2 ARG A 47 -13.880 -2.670 -9.268 1.00 75.03 H new ATOM 0 HD3 ARG A 47 -13.565 -2.204 -10.928 1.00 75.03 H new ATOM 0 HE ARG A 47 -16.239 -1.411 -10.085 1.00 31.03 H new ATOM 0 HH11 ARG A 47 -12.817 -0.408 -10.077 1.00 53.14 H new ATOM 0 HH12 ARG A 47 -13.200 1.286 -9.755 1.00 53.14 H new ATOM 0 HH21 ARG A 47 -16.688 0.765 -9.613 1.00 23.15 H new ATOM 0 HH22 ARG A 47 -15.378 1.945 -9.494 1.00 23.15 H new ATOM 769 N GLN A 48 -11.708 -4.286 -9.488 1.00 30.41 N ATOM 770 CA GLN A 48 -10.735 -3.515 -8.762 1.00 21.43 C ATOM 771 C GLN A 48 -11.084 -2.036 -8.747 1.00 53.44 C ATOM 772 O GLN A 48 -11.449 -1.459 -9.764 1.00 1.22 O ATOM 773 CB GLN A 48 -9.273 -3.816 -9.225 1.00 54.34 C ATOM 774 CG GLN A 48 -9.029 -3.963 -10.753 1.00 52.32 C ATOM 775 CD GLN A 48 -9.471 -2.791 -11.611 1.00 71.42 C ATOM 776 OE1 GLN A 48 -10.606 -2.756 -12.075 1.00 2.32 O ATOM 777 NE2 GLN A 48 -8.589 -1.853 -11.852 1.00 3.43 N ATOM 0 H GLN A 48 -11.581 -4.286 -10.500 1.00 30.41 H new ATOM 0 HA GLN A 48 -10.773 -3.837 -7.721 1.00 21.43 H new ATOM 0 HB2 GLN A 48 -8.630 -3.017 -8.855 1.00 54.34 H new ATOM 0 HB3 GLN A 48 -8.948 -4.737 -8.741 1.00 54.34 H new ATOM 0 HG2 GLN A 48 -7.964 -4.127 -10.917 1.00 52.32 H new ATOM 0 HG3 GLN A 48 -9.546 -4.858 -11.100 1.00 52.32 H new ATOM 0 HE21 GLN A 48 -7.654 -1.916 -11.449 1.00 3.43 H new ATOM 0 HE22 GLN A 48 -8.837 -1.060 -12.443 1.00 3.43 H new ATOM 786 N VAL A 49 -11.022 -1.442 -7.591 1.00 34.55 N ATOM 787 CA VAL A 49 -11.394 -0.065 -7.441 1.00 12.44 C ATOM 788 C VAL A 49 -10.195 0.761 -7.067 1.00 11.13 C ATOM 789 O VAL A 49 -9.221 0.253 -6.513 1.00 62.12 O ATOM 790 CB VAL A 49 -12.539 0.162 -6.391 1.00 14.24 C ATOM 791 CG1 VAL A 49 -13.752 -0.697 -6.679 1.00 73.22 C ATOM 792 CG2 VAL A 49 -12.085 0.000 -4.948 1.00 43.30 C ATOM 0 H VAL A 49 -10.714 -1.895 -6.730 1.00 34.55 H new ATOM 0 HA VAL A 49 -11.784 0.252 -8.408 1.00 12.44 H new ATOM 0 HB VAL A 49 -12.828 1.207 -6.505 1.00 14.24 H new ATOM 0 HG11 VAL A 49 -14.519 -0.507 -5.928 1.00 73.22 H new ATOM 0 HG12 VAL A 49 -14.144 -0.454 -7.667 1.00 73.22 H new ATOM 0 HG13 VAL A 49 -13.468 -1.749 -6.650 1.00 73.22 H new ATOM 0 HG21 VAL A 49 -12.929 0.171 -4.280 1.00 43.30 H new ATOM 0 HG22 VAL A 49 -11.703 -1.010 -4.798 1.00 43.30 H new ATOM 0 HG23 VAL A 49 -11.298 0.722 -4.731 1.00 43.30 H new ATOM 802 N CYS A 50 -10.251 2.001 -7.365 1.00 53.10 N ATOM 803 CA CYS A 50 -9.192 2.895 -7.019 1.00 54.44 C ATOM 804 C CYS A 50 -9.696 3.711 -5.865 1.00 32.52 C ATOM 805 O CYS A 50 -10.820 4.090 -5.875 1.00 33.33 O ATOM 806 CB CYS A 50 -8.860 3.797 -8.209 1.00 11.21 C ATOM 807 SG CYS A 50 -8.444 2.888 -9.747 1.00 55.00 S ATOM 0 H CYS A 50 -11.031 2.437 -7.857 1.00 53.10 H new ATOM 0 HA CYS A 50 -8.282 2.358 -6.753 1.00 54.44 H new ATOM 0 HB2 CYS A 50 -9.711 4.450 -8.405 1.00 11.21 H new ATOM 0 HB3 CYS A 50 -8.021 4.439 -7.941 1.00 11.21 H new ATOM 812 N ILE A 51 -8.906 3.945 -4.873 1.00 12.20 N ATOM 813 CA ILE A 51 -9.383 4.682 -3.724 1.00 52.23 C ATOM 814 C ILE A 51 -8.652 5.940 -3.458 1.00 52.55 C ATOM 815 O ILE A 51 -7.461 6.082 -3.788 1.00 61.44 O ATOM 816 CB ILE A 51 -9.565 3.870 -2.396 1.00 53.44 C ATOM 817 CG1 ILE A 51 -8.380 2.998 -1.981 1.00 13.31 C ATOM 818 CG2 ILE A 51 -10.772 3.053 -2.440 1.00 74.11 C ATOM 819 CD1 ILE A 51 -8.131 1.789 -2.867 1.00 71.34 C ATOM 0 H ILE A 51 -7.933 3.645 -4.822 1.00 12.20 H new ATOM 0 HA ILE A 51 -10.390 4.934 -4.055 1.00 52.23 H new ATOM 0 HB ILE A 51 -9.645 4.643 -1.631 1.00 53.44 H new ATOM 0 HG12 ILE A 51 -7.481 3.614 -1.971 1.00 13.31 H new ATOM 0 HG13 ILE A 51 -8.542 2.654 -0.959 1.00 13.31 H new ATOM 0 HG21 ILE A 51 -10.872 2.501 -1.505 1.00 74.11 H new ATOM 0 HG22 ILE A 51 -11.642 3.696 -2.577 1.00 74.11 H new ATOM 0 HG23 ILE A 51 -10.706 2.351 -3.271 1.00 74.11 H new ATOM 0 HD11 ILE A 51 -7.271 1.234 -2.492 1.00 71.34 H new ATOM 0 HD12 ILE A 51 -9.010 1.145 -2.859 1.00 71.34 H new ATOM 0 HD13 ILE A 51 -7.933 2.120 -3.887 1.00 71.34 H new ATOM 831 N ASP A 52 -9.380 6.867 -2.878 1.00 72.11 N ATOM 832 CA ASP A 52 -8.845 8.135 -2.483 1.00 23.21 C ATOM 833 C ASP A 52 -7.983 7.978 -1.231 1.00 62.14 C ATOM 834 O ASP A 52 -8.435 7.422 -0.232 1.00 22.22 O ATOM 835 CB ASP A 52 -9.997 9.112 -2.238 1.00 60.10 C ATOM 836 CG ASP A 52 -9.556 10.437 -1.691 1.00 72.44 C ATOM 837 OD1 ASP A 52 -8.632 11.050 -2.247 1.00 75.14 O ATOM 838 OD2 ASP A 52 -10.108 10.880 -0.683 1.00 31.13 O ATOM 0 H ASP A 52 -10.372 6.753 -2.668 1.00 72.11 H new ATOM 0 HA ASP A 52 -8.211 8.530 -3.277 1.00 23.21 H new ATOM 0 HB2 ASP A 52 -10.530 9.275 -3.175 1.00 60.10 H new ATOM 0 HB3 ASP A 52 -10.705 8.659 -1.543 1.00 60.10 H new ATOM 843 N PRO A 53 -6.718 8.451 -1.271 1.00 12.14 N ATOM 844 CA PRO A 53 -5.801 8.362 -0.123 1.00 13.11 C ATOM 845 C PRO A 53 -6.247 9.235 1.063 1.00 43.50 C ATOM 846 O PRO A 53 -5.626 9.237 2.126 1.00 74.25 O ATOM 847 CB PRO A 53 -4.458 8.865 -0.677 1.00 41.25 C ATOM 848 CG PRO A 53 -4.796 9.650 -1.904 1.00 52.02 C ATOM 849 CD PRO A 53 -6.081 9.084 -2.445 1.00 1.13 C ATOM 0 HA PRO A 53 -5.759 7.346 0.270 1.00 13.11 H new ATOM 0 HB2 PRO A 53 -3.940 9.485 0.055 1.00 41.25 H new ATOM 0 HB3 PRO A 53 -3.796 8.032 -0.915 1.00 41.25 H new ATOM 0 HG2 PRO A 53 -4.910 10.708 -1.667 1.00 52.02 H new ATOM 0 HG3 PRO A 53 -3.999 9.573 -2.643 1.00 52.02 H new ATOM 0 HD2 PRO A 53 -6.713 9.864 -2.869 1.00 1.13 H new ATOM 0 HD3 PRO A 53 -5.895 8.359 -3.237 1.00 1.13 H new ATOM 857 N LYS A 54 -7.318 9.952 0.863 1.00 41.23 N ATOM 858 CA LYS A 54 -7.866 10.840 1.841 1.00 12.33 C ATOM 859 C LYS A 54 -9.114 10.251 2.528 1.00 50.13 C ATOM 860 O LYS A 54 -9.724 10.906 3.380 1.00 51.12 O ATOM 861 CB LYS A 54 -8.166 12.173 1.173 1.00 42.10 C ATOM 862 CG LYS A 54 -6.931 12.924 0.731 1.00 61.21 C ATOM 863 CD LYS A 54 -7.256 14.275 0.088 1.00 12.33 C ATOM 864 CE LYS A 54 -7.856 14.169 -1.321 1.00 74.42 C ATOM 865 NZ LYS A 54 -9.163 13.484 -1.404 1.00 10.02 N ATOM 0 H LYS A 54 -7.845 9.932 -0.010 1.00 41.23 H new ATOM 0 HA LYS A 54 -7.135 10.988 2.635 1.00 12.33 H new ATOM 0 HB2 LYS A 54 -8.804 11.999 0.307 1.00 42.10 H new ATOM 0 HB3 LYS A 54 -8.731 12.797 1.865 1.00 42.10 H new ATOM 0 HG2 LYS A 54 -6.281 13.083 1.591 1.00 61.21 H new ATOM 0 HG3 LYS A 54 -6.375 12.313 0.020 1.00 61.21 H new ATOM 0 HD2 LYS A 54 -7.955 14.812 0.730 1.00 12.33 H new ATOM 0 HD3 LYS A 54 -6.345 14.871 0.040 1.00 12.33 H new ATOM 0 HE2 LYS A 54 -7.966 15.174 -1.727 1.00 74.42 H new ATOM 0 HE3 LYS A 54 -7.148 13.642 -1.960 1.00 74.42 H new ATOM 0 HZ1 LYS A 54 -9.080 12.651 -2.021 1.00 10.02 H new ATOM 0 HZ2 LYS A 54 -9.458 13.182 -0.453 1.00 10.02 H new ATOM 0 HZ3 LYS A 54 -9.872 14.136 -1.796 1.00 10.02 H new ATOM 879 N LEU A 55 -9.486 9.013 2.163 1.00 42.41 N ATOM 880 CA LEU A 55 -10.611 8.332 2.784 1.00 43.51 C ATOM 881 C LEU A 55 -10.348 8.099 4.240 1.00 3.30 C ATOM 882 O LEU A 55 -9.223 7.816 4.621 1.00 63.42 O ATOM 883 CB LEU A 55 -10.863 7.003 2.107 1.00 74.53 C ATOM 884 CG LEU A 55 -11.344 7.062 0.684 1.00 32.54 C ATOM 885 CD1 LEU A 55 -11.512 5.660 0.118 1.00 32.03 C ATOM 886 CD2 LEU A 55 -12.644 7.804 0.634 1.00 21.51 C ATOM 0 H LEU A 55 -9.016 8.470 1.438 1.00 42.41 H new ATOM 0 HA LEU A 55 -11.490 8.967 2.674 1.00 43.51 H new ATOM 0 HB2 LEU A 55 -9.939 6.425 2.132 1.00 74.53 H new ATOM 0 HB3 LEU A 55 -11.599 6.454 2.694 1.00 74.53 H new ATOM 0 HG LEU A 55 -10.605 7.584 0.077 1.00 32.54 H new ATOM 0 HD11 LEU A 55 -11.861 5.723 -0.913 1.00 32.03 H new ATOM 0 HD12 LEU A 55 -10.555 5.139 0.146 1.00 32.03 H new ATOM 0 HD13 LEU A 55 -12.241 5.112 0.715 1.00 32.03 H new ATOM 0 HD21 LEU A 55 -12.997 7.850 -0.396 1.00 21.51 H new ATOM 0 HD22 LEU A 55 -13.382 7.287 1.248 1.00 21.51 H new ATOM 0 HD23 LEU A 55 -12.500 8.816 1.014 1.00 21.51 H new ATOM 898 N LYS A 56 -11.389 8.180 5.051 1.00 73.31 N ATOM 899 CA LYS A 56 -11.240 8.046 6.486 1.00 21.23 C ATOM 900 C LYS A 56 -10.780 6.633 6.825 1.00 22.13 C ATOM 901 O LYS A 56 -9.898 6.468 7.646 1.00 44.52 O ATOM 902 CB LYS A 56 -12.547 8.396 7.206 1.00 23.22 C ATOM 903 CG LYS A 56 -12.404 8.948 8.642 1.00 2.10 C ATOM 904 CD LYS A 56 -11.830 7.994 9.670 1.00 11.20 C ATOM 905 CE LYS A 56 -11.754 8.717 11.018 1.00 5.20 C ATOM 906 NZ LYS A 56 -11.371 7.854 12.153 1.00 25.52 N ATOM 0 H LYS A 56 -12.347 8.338 4.738 1.00 73.31 H new ATOM 0 HA LYS A 56 -10.482 8.749 6.832 1.00 21.23 H new ATOM 0 HB2 LYS A 56 -13.082 9.133 6.607 1.00 23.22 H new ATOM 0 HB3 LYS A 56 -13.169 7.502 7.242 1.00 23.22 H new ATOM 0 HG2 LYS A 56 -11.772 9.835 8.607 1.00 2.10 H new ATOM 0 HG3 LYS A 56 -13.387 9.271 8.985 1.00 2.10 H new ATOM 0 HD2 LYS A 56 -12.455 7.105 9.752 1.00 11.20 H new ATOM 0 HD3 LYS A 56 -10.839 7.659 9.364 1.00 11.20 H new ATOM 0 HE2 LYS A 56 -11.035 9.533 10.939 1.00 5.20 H new ATOM 0 HE3 LYS A 56 -12.724 9.167 11.230 1.00 5.20 H new ATOM 0 HZ1 LYS A 56 -11.722 8.270 13.039 1.00 25.52 H new ATOM 0 HZ2 LYS A 56 -11.786 6.909 12.026 1.00 25.52 H new ATOM 0 HZ3 LYS A 56 -10.335 7.774 12.194 1.00 25.52 H new ATOM 920 N TRP A 57 -11.348 5.602 6.166 1.00 72.14 N ATOM 921 CA TRP A 57 -10.883 4.240 6.442 1.00 21.44 C ATOM 922 C TRP A 57 -9.450 4.065 5.961 1.00 11.13 C ATOM 923 O TRP A 57 -8.710 3.272 6.496 1.00 34.02 O ATOM 924 CB TRP A 57 -11.795 3.122 5.878 1.00 24.21 C ATOM 925 CG TRP A 57 -11.900 3.036 4.385 1.00 1.44 C ATOM 926 CD1 TRP A 57 -12.765 3.705 3.565 1.00 13.45 C ATOM 927 CD2 TRP A 57 -11.110 2.199 3.536 1.00 44.52 C ATOM 928 NE1 TRP A 57 -12.565 3.320 2.272 1.00 50.50 N ATOM 929 CE2 TRP A 57 -11.552 2.400 2.228 1.00 11.23 C ATOM 930 CE3 TRP A 57 -10.068 1.294 3.763 1.00 15.52 C ATOM 931 CZ2 TRP A 57 -10.998 1.729 1.149 1.00 11.51 C ATOM 932 CZ3 TRP A 57 -9.516 0.629 2.688 1.00 34.24 C ATOM 933 CH2 TRP A 57 -9.983 0.851 1.393 1.00 43.22 C ATOM 0 H TRP A 57 -12.092 5.683 5.473 1.00 72.14 H new ATOM 0 HA TRP A 57 -10.928 4.124 7.525 1.00 21.44 H new ATOM 0 HB2 TRP A 57 -11.431 2.164 6.250 1.00 24.21 H new ATOM 0 HB3 TRP A 57 -12.797 3.262 6.283 1.00 24.21 H new ATOM 0 HD1 TRP A 57 -13.497 4.429 3.892 1.00 13.45 H new ATOM 0 HE1 TRP A 57 -13.087 3.663 1.466 1.00 50.50 H new ATOM 0 HE3 TRP A 57 -9.702 1.119 4.764 1.00 15.52 H new ATOM 0 HZ2 TRP A 57 -11.359 1.896 0.145 1.00 11.51 H new ATOM 0 HZ3 TRP A 57 -8.712 -0.073 2.851 1.00 34.24 H new ATOM 0 HH2 TRP A 57 -9.533 0.318 0.568 1.00 43.22 H new ATOM 944 N ILE A 58 -9.072 4.833 4.948 1.00 52.53 N ATOM 945 CA ILE A 58 -7.706 4.839 4.463 1.00 44.35 C ATOM 946 C ILE A 58 -6.802 5.495 5.501 1.00 20.31 C ATOM 947 O ILE A 58 -5.731 4.977 5.802 1.00 55.32 O ATOM 948 CB ILE A 58 -7.572 5.543 3.071 1.00 21.14 C ATOM 949 CG1 ILE A 58 -8.222 4.693 1.948 1.00 21.03 C ATOM 950 CG2 ILE A 58 -6.116 5.850 2.745 1.00 21.03 C ATOM 951 CD1 ILE A 58 -7.537 3.371 1.715 1.00 63.14 C ATOM 0 H ILE A 58 -9.699 5.462 4.446 1.00 52.53 H new ATOM 0 HA ILE A 58 -7.394 3.805 4.314 1.00 44.35 H new ATOM 0 HB ILE A 58 -8.109 6.490 3.129 1.00 21.14 H new ATOM 0 HG12 ILE A 58 -9.267 4.511 2.201 1.00 21.03 H new ATOM 0 HG13 ILE A 58 -8.213 5.265 1.020 1.00 21.03 H new ATOM 0 HG21 ILE A 58 -6.056 6.338 1.772 1.00 21.03 H new ATOM 0 HG22 ILE A 58 -5.703 6.510 3.508 1.00 21.03 H new ATOM 0 HG23 ILE A 58 -5.545 4.922 2.721 1.00 21.03 H new ATOM 0 HD11 ILE A 58 -8.047 2.833 0.916 1.00 63.14 H new ATOM 0 HD12 ILE A 58 -6.499 3.544 1.431 1.00 63.14 H new ATOM 0 HD13 ILE A 58 -7.569 2.779 2.629 1.00 63.14 H new ATOM 963 N GLN A 59 -7.268 6.622 6.069 1.00 40.34 N ATOM 964 CA GLN A 59 -6.548 7.320 7.141 1.00 21.41 C ATOM 965 C GLN A 59 -6.295 6.319 8.269 1.00 73.24 C ATOM 966 O GLN A 59 -5.166 6.093 8.688 1.00 13.01 O ATOM 967 CB GLN A 59 -7.417 8.472 7.706 1.00 63.44 C ATOM 968 CG GLN A 59 -7.868 9.536 6.701 1.00 2.30 C ATOM 969 CD GLN A 59 -6.753 10.393 6.160 1.00 51.02 C ATOM 970 OE1 GLN A 59 -6.444 11.431 6.725 1.00 31.21 O ATOM 971 NE2 GLN A 59 -6.165 9.994 5.062 1.00 61.34 N ATOM 0 H GLN A 59 -8.145 7.068 5.799 1.00 40.34 H new ATOM 0 HA GLN A 59 -5.616 7.727 6.750 1.00 21.41 H new ATOM 0 HB2 GLN A 59 -8.305 8.037 8.166 1.00 63.44 H new ATOM 0 HB3 GLN A 59 -6.856 8.966 8.499 1.00 63.44 H new ATOM 0 HG2 GLN A 59 -8.368 9.042 5.867 1.00 2.30 H new ATOM 0 HG3 GLN A 59 -8.606 10.180 7.179 1.00 2.30 H new ATOM 0 HE21 GLN A 59 -6.451 9.121 4.619 1.00 61.34 H new ATOM 0 HE22 GLN A 59 -5.421 10.556 4.649 1.00 61.34 H new ATOM 980 N GLU A 60 -7.366 5.671 8.676 1.00 34.12 N ATOM 981 CA GLU A 60 -7.360 4.676 9.723 1.00 62.42 C ATOM 982 C GLU A 60 -6.462 3.501 9.382 1.00 15.44 C ATOM 983 O GLU A 60 -5.735 3.002 10.234 1.00 62.25 O ATOM 984 CB GLU A 60 -8.785 4.181 9.929 1.00 11.51 C ATOM 985 CG GLU A 60 -9.722 5.245 10.434 1.00 35.15 C ATOM 986 CD GLU A 60 -9.414 5.643 11.832 1.00 24.10 C ATOM 987 OE1 GLU A 60 -9.741 4.891 12.748 1.00 35.13 O ATOM 988 OE2 GLU A 60 -8.874 6.740 12.036 1.00 63.30 O ATOM 0 H GLU A 60 -8.291 5.828 8.275 1.00 34.12 H new ATOM 0 HA GLU A 60 -6.971 5.134 10.632 1.00 62.42 H new ATOM 0 HB2 GLU A 60 -9.166 3.791 8.985 1.00 11.51 H new ATOM 0 HB3 GLU A 60 -8.775 3.352 10.636 1.00 11.51 H new ATOM 0 HG2 GLU A 60 -9.660 6.120 9.786 1.00 35.15 H new ATOM 0 HG3 GLU A 60 -10.748 4.880 10.379 1.00 35.15 H new ATOM 995 N TYR A 61 -6.512 3.064 8.141 1.00 71.23 N ATOM 996 CA TYR A 61 -5.782 1.896 7.732 1.00 5.45 C ATOM 997 C TYR A 61 -4.282 2.164 7.699 1.00 3.54 C ATOM 998 O TYR A 61 -3.484 1.351 8.183 1.00 54.53 O ATOM 999 CB TYR A 61 -6.269 1.373 6.382 1.00 32.51 C ATOM 1000 CG TYR A 61 -5.825 -0.032 6.136 1.00 40.31 C ATOM 1001 CD1 TYR A 61 -6.532 -1.075 6.700 1.00 33.04 C ATOM 1002 CD2 TYR A 61 -4.695 -0.330 5.385 1.00 12.34 C ATOM 1003 CE1 TYR A 61 -6.150 -2.370 6.529 1.00 30.05 C ATOM 1004 CE2 TYR A 61 -4.297 -1.637 5.210 1.00 75.14 C ATOM 1005 CZ TYR A 61 -5.037 -2.652 5.789 1.00 1.25 C ATOM 1006 OH TYR A 61 -4.653 -3.941 5.644 1.00 72.53 O ATOM 0 H TYR A 61 -7.055 3.507 7.400 1.00 71.23 H new ATOM 0 HA TYR A 61 -5.970 1.122 8.476 1.00 5.45 H new ATOM 0 HB2 TYR A 61 -7.357 1.422 6.345 1.00 32.51 H new ATOM 0 HB3 TYR A 61 -5.894 2.017 5.586 1.00 32.51 H new ATOM 0 HD1 TYR A 61 -7.409 -0.858 7.291 1.00 33.04 H new ATOM 0 HD2 TYR A 61 -4.124 0.469 4.935 1.00 12.34 H new ATOM 0 HE1 TYR A 61 -6.723 -3.169 6.975 1.00 30.05 H new ATOM 0 HE2 TYR A 61 -3.417 -1.867 4.627 1.00 75.14 H new ATOM 0 HH TYR A 61 -3.845 -3.981 5.091 1.00 72.53 H new ATOM 1016 N LEU A 62 -3.898 3.302 7.163 1.00 4.54 N ATOM 1017 CA LEU A 62 -2.495 3.653 7.087 1.00 72.43 C ATOM 1018 C LEU A 62 -1.952 3.840 8.491 1.00 75.40 C ATOM 1019 O LEU A 62 -0.908 3.289 8.841 1.00 42.33 O ATOM 1020 CB LEU A 62 -2.289 4.923 6.265 1.00 61.44 C ATOM 1021 CG LEU A 62 -2.820 4.901 4.827 1.00 0.15 C ATOM 1022 CD1 LEU A 62 -2.521 6.216 4.127 1.00 74.41 C ATOM 1023 CD2 LEU A 62 -2.258 3.726 4.034 1.00 3.04 C ATOM 0 H LEU A 62 -4.534 3.998 6.774 1.00 4.54 H new ATOM 0 HA LEU A 62 -1.956 2.846 6.589 1.00 72.43 H new ATOM 0 HB2 LEU A 62 -2.764 5.751 6.791 1.00 61.44 H new ATOM 0 HB3 LEU A 62 -1.221 5.138 6.231 1.00 61.44 H new ATOM 0 HG LEU A 62 -3.901 4.771 4.878 1.00 0.15 H new ATOM 0 HD11 LEU A 62 -2.905 6.181 3.108 1.00 74.41 H new ATOM 0 HD12 LEU A 62 -2.999 7.033 4.668 1.00 74.41 H new ATOM 0 HD13 LEU A 62 -1.443 6.379 4.103 1.00 74.41 H new ATOM 0 HD21 LEU A 62 -2.659 3.746 3.020 1.00 3.04 H new ATOM 0 HD22 LEU A 62 -1.171 3.799 3.996 1.00 3.04 H new ATOM 0 HD23 LEU A 62 -2.542 2.791 4.518 1.00 3.04 H new ATOM 1035 N GLU A 63 -2.688 4.595 9.302 1.00 70.32 N ATOM 1036 CA GLU A 63 -2.317 4.811 10.700 1.00 42.14 C ATOM 1037 C GLU A 63 -2.205 3.500 11.515 1.00 41.12 C ATOM 1038 O GLU A 63 -1.328 3.382 12.381 1.00 71.43 O ATOM 1039 CB GLU A 63 -3.257 5.800 11.387 1.00 21.10 C ATOM 1040 CG GLU A 63 -3.214 7.200 10.797 1.00 12.44 C ATOM 1041 CD GLU A 63 -4.027 8.187 11.586 1.00 20.25 C ATOM 1042 OE1 GLU A 63 -5.268 8.215 11.453 1.00 12.15 O ATOM 1043 OE2 GLU A 63 -3.428 8.940 12.388 1.00 34.34 O ATOM 0 H GLU A 63 -3.545 5.068 9.016 1.00 70.32 H new ATOM 0 HA GLU A 63 -1.318 5.247 10.674 1.00 42.14 H new ATOM 0 HB2 GLU A 63 -4.277 5.421 11.324 1.00 21.10 H new ATOM 0 HB3 GLU A 63 -3.002 5.854 12.445 1.00 21.10 H new ATOM 0 HG2 GLU A 63 -2.179 7.540 10.754 1.00 12.44 H new ATOM 0 HG3 GLU A 63 -3.583 7.169 9.772 1.00 12.44 H new ATOM 1050 N LYS A 64 -3.066 2.513 11.244 1.00 71.51 N ATOM 1051 CA LYS A 64 -2.994 1.258 11.982 1.00 2.43 C ATOM 1052 C LYS A 64 -1.806 0.412 11.524 1.00 71.22 C ATOM 1053 O LYS A 64 -1.139 -0.211 12.334 1.00 52.21 O ATOM 1054 CB LYS A 64 -4.356 0.492 11.966 1.00 62.32 C ATOM 1055 CG LYS A 64 -4.858 0.013 10.598 1.00 24.44 C ATOM 1056 CD LYS A 64 -4.275 -1.329 10.149 1.00 52.01 C ATOM 1057 CE LYS A 64 -4.977 -2.530 10.804 1.00 32.12 C ATOM 1058 NZ LYS A 64 -4.906 -2.550 12.281 1.00 2.51 N ATOM 0 H LYS A 64 -3.800 2.559 10.538 1.00 71.51 H new ATOM 0 HA LYS A 64 -2.809 1.493 13.030 1.00 2.43 H new ATOM 0 HB2 LYS A 64 -4.266 -0.376 12.619 1.00 62.32 H new ATOM 0 HB3 LYS A 64 -5.117 1.141 12.400 1.00 62.32 H new ATOM 0 HG2 LYS A 64 -5.944 -0.069 10.631 1.00 24.44 H new ATOM 0 HG3 LYS A 64 -4.617 0.769 9.850 1.00 24.44 H new ATOM 0 HD2 LYS A 64 -4.357 -1.412 9.065 1.00 52.01 H new ATOM 0 HD3 LYS A 64 -3.213 -1.358 10.391 1.00 52.01 H new ATOM 0 HE2 LYS A 64 -6.025 -2.531 10.503 1.00 32.12 H new ATOM 0 HE3 LYS A 64 -4.534 -3.448 10.419 1.00 32.12 H new ATOM 0 HZ1 LYS A 64 -5.185 -3.489 12.629 1.00 2.51 H new ATOM 0 HZ2 LYS A 64 -3.933 -2.343 12.585 1.00 2.51 H new ATOM 0 HZ3 LYS A 64 -5.550 -1.831 12.669 1.00 2.51 H new ATOM 1072 N CYS A 65 -1.517 0.426 10.226 1.00 73.45 N ATOM 1073 CA CYS A 65 -0.360 -0.308 9.699 1.00 22.32 C ATOM 1074 C CYS A 65 0.950 0.351 10.096 1.00 44.44 C ATOM 1075 O CYS A 65 1.988 -0.282 10.076 1.00 63.45 O ATOM 1076 CB CYS A 65 -0.436 -0.513 8.174 1.00 73.55 C ATOM 1077 SG CYS A 65 -1.766 -1.639 7.631 1.00 63.41 S ATOM 0 H CYS A 65 -2.058 0.930 9.523 1.00 73.45 H new ATOM 0 HA CYS A 65 -0.391 -1.297 10.156 1.00 22.32 H new ATOM 0 HB2 CYS A 65 -0.579 0.456 7.696 1.00 73.55 H new ATOM 0 HB3 CYS A 65 0.520 -0.903 7.824 1.00 73.55 H new ATOM 1082 N LEU A 66 0.876 1.621 10.469 1.00 41.11 N ATOM 1083 CA LEU A 66 2.019 2.376 10.919 1.00 40.44 C ATOM 1084 C LEU A 66 2.449 1.799 12.274 1.00 64.14 C ATOM 1085 O LEU A 66 3.636 1.655 12.565 1.00 4.04 O ATOM 1086 CB LEU A 66 1.565 3.858 11.078 1.00 34.30 C ATOM 1087 CG LEU A 66 2.626 4.980 11.139 1.00 73.10 C ATOM 1088 CD1 LEU A 66 3.604 4.833 12.270 1.00 41.51 C ATOM 1089 CD2 LEU A 66 3.342 5.082 9.837 1.00 54.34 C ATOM 0 H LEU A 66 0.007 2.155 10.465 1.00 41.11 H new ATOM 0 HA LEU A 66 2.854 2.323 10.220 1.00 40.44 H new ATOM 0 HB2 LEU A 66 0.898 4.085 10.247 1.00 34.30 H new ATOM 0 HB3 LEU A 66 0.971 3.921 11.990 1.00 34.30 H new ATOM 0 HG LEU A 66 2.082 5.904 11.336 1.00 73.10 H new ATOM 0 HD11 LEU A 66 4.316 5.658 12.245 1.00 41.51 H new ATOM 0 HD12 LEU A 66 3.068 4.845 13.219 1.00 41.51 H new ATOM 0 HD13 LEU A 66 4.139 3.889 12.168 1.00 41.51 H new ATOM 0 HD21 LEU A 66 4.087 5.876 9.893 1.00 54.34 H new ATOM 0 HD22 LEU A 66 3.836 4.135 9.618 1.00 54.34 H new ATOM 0 HD23 LEU A 66 2.628 5.309 9.046 1.00 54.34 H new ATOM 1101 N ASN A 67 1.455 1.439 13.069 1.00 22.42 N ATOM 1102 CA ASN A 67 1.665 0.937 14.424 1.00 3.25 C ATOM 1103 C ASN A 67 1.981 -0.559 14.426 1.00 65.51 C ATOM 1104 O ASN A 67 2.694 -1.054 15.299 1.00 74.34 O ATOM 1105 CB ASN A 67 0.416 1.220 15.275 1.00 12.50 C ATOM 1106 CG ASN A 67 0.531 0.796 16.744 1.00 33.24 C ATOM 1107 OD1 ASN A 67 -0.462 0.384 17.352 1.00 13.02 O ATOM 1108 ND2 ASN A 67 1.709 0.919 17.332 1.00 41.51 N ATOM 0 H ASN A 67 0.474 1.486 12.795 1.00 22.42 H new ATOM 0 HA ASN A 67 2.524 1.454 14.852 1.00 3.25 H new ATOM 0 HB2 ASN A 67 0.200 2.288 15.235 1.00 12.50 H new ATOM 0 HB3 ASN A 67 -0.435 0.706 14.828 1.00 12.50 H new ATOM 0 HD21 ASN A 67 1.817 0.670 18.315 1.00 41.51 H new ATOM 0 HD22 ASN A 67 2.510 1.262 16.802 1.00 41.51 H new ATOM 1404 N GLY B 119 -14.444 5.117 -11.466 1.00 25.43 N ATOM 1405 CA GLY B 119 -14.652 5.798 -10.199 1.00 42.34 C ATOM 1406 C GLY B 119 -16.067 6.207 -9.896 1.00 61.52 C ATOM 1407 O GLY B 119 -16.658 7.069 -10.573 1.00 71.24 O ATOM 0 HA2 GLY B 119 -14.303 5.147 -9.397 1.00 42.34 H new ATOM 0 HA3 GLY B 119 -14.025 6.690 -10.181 1.00 42.34 H new ATOM 1411 N ASP B 120 -16.608 5.580 -8.901 1.00 21.44 N ATOM 1412 CA ASP B 120 -17.901 5.904 -8.373 1.00 44.31 C ATOM 1413 C ASP B 120 -17.851 5.591 -6.873 1.00 1.01 C ATOM 1414 O ASP B 120 -16.781 5.712 -6.276 1.00 3.11 O ATOM 1415 CB ASP B 120 -18.990 5.111 -9.082 1.00 41.04 C ATOM 1416 CG ASP B 120 -20.379 5.647 -8.773 1.00 1.35 C ATOM 1417 OD1 ASP B 120 -20.739 6.722 -9.313 1.00 43.32 O ATOM 1418 OD2 ASP B 120 -21.095 5.037 -7.944 1.00 70.35 O ATOM 0 H ASP B 120 -16.152 4.806 -8.417 1.00 21.44 H new ATOM 0 HA ASP B 120 -18.143 6.955 -8.533 1.00 44.31 H new ATOM 0 HB2 ASP B 120 -18.820 5.144 -10.158 1.00 41.04 H new ATOM 0 HB3 ASP B 120 -18.930 4.065 -8.782 1.00 41.04 H new ATOM 1447 N ASP B 122 -19.580 7.311 -4.559 1.00 1.44 N ATOM 1448 CA ASP B 122 -19.426 8.726 -4.174 1.00 43.25 C ATOM 1449 C ASP B 122 -18.270 9.342 -4.916 1.00 44.53 C ATOM 1450 O ASP B 122 -18.384 10.428 -5.483 1.00 45.43 O ATOM 1451 CB ASP B 122 -19.289 8.932 -2.686 1.00 2.31 C ATOM 1452 CG ASP B 122 -20.552 8.603 -1.928 1.00 33.43 C ATOM 1453 OD1 ASP B 122 -20.764 7.436 -1.607 1.00 63.01 O ATOM 1454 OD2 ASP B 122 -21.338 9.522 -1.617 1.00 34.15 O ATOM 0 HA ASP B 122 -20.348 9.232 -4.458 1.00 43.25 H new ATOM 0 HB2 ASP B 122 -18.475 8.311 -2.312 1.00 2.31 H new ATOM 0 HB3 ASP B 122 -19.014 9.969 -2.492 1.00 2.31 H new ATOM 1459 N SER B 123 -17.155 8.652 -4.870 1.00 14.41 N ATOM 1460 CA SER B 123 -16.008 8.895 -5.690 1.00 53.03 C ATOM 1461 C SER B 123 -15.198 10.192 -5.356 1.00 42.33 C ATOM 1462 O SER B 123 -14.161 10.443 -5.965 1.00 54.12 O ATOM 1463 CB SER B 123 -16.454 8.805 -7.170 1.00 30.14 C ATOM 1464 OG SER B 123 -15.398 8.983 -8.079 1.00 23.30 O ATOM 0 H SER B 123 -17.024 7.871 -4.227 1.00 14.41 H new ATOM 0 HA SER B 123 -15.271 8.122 -5.472 1.00 53.03 H new ATOM 0 HB2 SER B 123 -16.915 7.833 -7.345 1.00 30.14 H new ATOM 0 HB3 SER B 123 -17.218 9.559 -7.359 1.00 30.14 H new ATOM 0 HG SER B 123 -14.578 8.595 -7.708 1.00 23.30 H new ATOM 1470 N MET B 124 -15.648 11.000 -4.391 1.00 72.02 N ATOM 1471 CA MET B 124 -14.904 12.229 -4.033 1.00 44.00 C ATOM 1472 C MET B 124 -14.983 12.525 -2.531 1.00 52.31 C ATOM 1473 O MET B 124 -16.029 12.945 -2.036 1.00 72.21 O ATOM 1474 CB MET B 124 -15.444 13.453 -4.800 1.00 11.11 C ATOM 1475 CG MET B 124 -15.343 13.374 -6.308 1.00 41.25 C ATOM 1476 SD MET B 124 -16.010 14.831 -7.124 1.00 43.43 S ATOM 1477 CE MET B 124 -15.762 14.382 -8.837 1.00 72.33 C ATOM 0 H MET B 124 -16.499 10.839 -3.852 1.00 72.02 H new ATOM 0 HA MET B 124 -13.865 12.049 -4.309 1.00 44.00 H new ATOM 0 HB2 MET B 124 -16.490 13.596 -4.530 1.00 11.11 H new ATOM 0 HB3 MET B 124 -14.904 14.338 -4.463 1.00 11.11 H new ATOM 0 HG2 MET B 124 -14.298 13.249 -6.592 1.00 41.25 H new ATOM 0 HG3 MET B 124 -15.876 12.490 -6.658 1.00 41.25 H new ATOM 0 HE1 MET B 124 -16.125 15.184 -9.480 1.00 72.33 H new ATOM 0 HE2 MET B 124 -14.700 14.222 -9.021 1.00 72.33 H new ATOM 0 HE3 MET B 124 -16.310 13.466 -9.056 1.00 72.33 H new ATOM 1487 N LYS B 125 -13.897 12.294 -1.807 1.00 41.33 N ATOM 1488 CA LYS B 125 -13.836 12.615 -0.382 1.00 65.34 C ATOM 1489 C LYS B 125 -12.548 13.357 -0.029 1.00 53.33 C ATOM 1490 O LYS B 125 -11.782 13.738 -0.908 1.00 44.20 O ATOM 1491 CB LYS B 125 -14.018 11.377 0.516 1.00 42.04 C ATOM 1492 CG LYS B 125 -15.414 10.778 0.526 1.00 53.53 C ATOM 1493 CD LYS B 125 -16.417 11.768 1.106 1.00 5.03 C ATOM 1494 CE LYS B 125 -16.195 12.072 2.600 1.00 15.03 C ATOM 1495 NZ LYS B 125 -16.406 10.891 3.460 1.00 24.14 N ATOM 0 H LYS B 125 -13.041 11.884 -2.182 1.00 41.33 H new ATOM 0 HA LYS B 125 -14.678 13.278 -0.184 1.00 65.34 H new ATOM 0 HB2 LYS B 125 -13.314 10.609 0.194 1.00 42.04 H new ATOM 0 HB3 LYS B 125 -13.750 11.648 1.537 1.00 42.04 H new ATOM 0 HG2 LYS B 125 -15.707 10.507 -0.488 1.00 53.53 H new ATOM 0 HG3 LYS B 125 -15.418 9.861 1.115 1.00 53.53 H new ATOM 0 HD2 LYS B 125 -16.362 12.700 0.543 1.00 5.03 H new ATOM 0 HD3 LYS B 125 -17.424 11.373 0.971 1.00 5.03 H new ATOM 0 HE2 LYS B 125 -15.181 12.444 2.744 1.00 15.03 H new ATOM 0 HE3 LYS B 125 -16.873 12.867 2.909 1.00 15.03 H new ATOM 0 HZ1 LYS B 125 -16.327 11.170 4.459 1.00 24.14 H new ATOM 0 HZ2 LYS B 125 -17.353 10.498 3.284 1.00 24.14 H new ATOM 0 HZ3 LYS B 125 -15.687 10.171 3.244 1.00 24.14 H new ATOM 1509 N GLU B 126 -12.342 13.573 1.256 1.00 32.44 N ATOM 1510 CA GLU B 126 -11.208 14.297 1.786 1.00 40.11 C ATOM 1511 C GLU B 126 -11.053 13.872 3.248 1.00 15.00 C ATOM 1512 O GLU B 126 -12.003 13.291 3.803 1.00 33.15 O ATOM 1513 CB GLU B 126 -11.490 15.797 1.677 1.00 64.22 C ATOM 1514 CG GLU B 126 -12.732 16.245 2.426 1.00 5.21 C ATOM 1515 CD GLU B 126 -13.018 17.693 2.217 1.00 2.40 C ATOM 1516 OE1 GLU B 126 -12.313 18.538 2.809 1.00 72.45 O ATOM 1517 OE2 GLU B 126 -13.934 18.021 1.441 1.00 14.54 O ATOM 0 H GLU B 126 -12.979 13.239 1.979 1.00 32.44 H new ATOM 0 HA GLU B 126 -10.290 14.083 1.238 1.00 40.11 H new ATOM 0 HB2 GLU B 126 -10.630 16.347 2.058 1.00 64.22 H new ATOM 0 HB3 GLU B 126 -11.597 16.061 0.625 1.00 64.22 H new ATOM 0 HG2 GLU B 126 -13.587 15.655 2.096 1.00 5.21 H new ATOM 0 HG3 GLU B 126 -12.603 16.051 3.491 1.00 5.21 H new ATOM 1524 N PRO B 127 -9.896 14.118 3.914 1.00 65.14 N ATOM 1525 CA PRO B 127 -9.717 13.694 5.279 1.00 43.10 C ATOM 1526 C PRO B 127 -10.533 14.517 6.254 1.00 30.11 C ATOM 1527 O PRO B 127 -10.282 15.714 6.472 1.00 30.24 O ATOM 1528 CB PRO B 127 -8.237 13.901 5.534 1.00 11.14 C ATOM 1529 CG PRO B 127 -7.899 15.038 4.667 1.00 73.23 C ATOM 1530 CD PRO B 127 -8.680 14.813 3.416 1.00 33.51 C ATOM 0 HA PRO B 127 -10.048 12.665 5.422 1.00 43.10 H new ATOM 0 HB2 PRO B 127 -8.037 14.122 6.583 1.00 11.14 H new ATOM 0 HB3 PRO B 127 -7.657 13.014 5.278 1.00 11.14 H new ATOM 0 HG2 PRO B 127 -8.167 15.985 5.135 1.00 73.23 H new ATOM 0 HG3 PRO B 127 -6.829 15.075 4.463 1.00 73.23 H new ATOM 0 HD2 PRO B 127 -8.925 15.750 2.917 1.00 33.51 H new ATOM 0 HD3 PRO B 127 -8.130 14.204 2.699 1.00 33.51 H new ATOM 1855 N CYS C 209 0.105 -16.426 5.131 1.00 70.10 N ATOM 1856 CA CYS C 209 0.933 -15.264 5.210 1.00 1.42 C ATOM 1857 C CYS C 209 1.934 -15.383 4.054 1.00 64.15 C ATOM 1858 O CYS C 209 2.531 -16.454 3.870 1.00 15.21 O ATOM 1859 CB CYS C 209 1.647 -15.264 6.569 1.00 15.12 C ATOM 1860 SG CYS C 209 2.693 -13.834 6.925 1.00 2.04 S ATOM 0 HA CYS C 209 0.371 -14.334 5.130 1.00 1.42 H new ATOM 0 HB2 CYS C 209 0.892 -15.339 7.352 1.00 15.12 H new ATOM 0 HB3 CYS C 209 2.262 -16.162 6.632 1.00 15.12 H new ATOM 1865 N PRO C 210 2.139 -14.325 3.256 1.00 65.44 N ATOM 1866 CA PRO C 210 2.989 -14.399 2.077 1.00 31.21 C ATOM 1867 C PRO C 210 4.474 -14.295 2.398 1.00 3.53 C ATOM 1868 O PRO C 210 5.247 -15.232 2.158 1.00 40.11 O ATOM 1869 CB PRO C 210 2.531 -13.194 1.213 1.00 11.21 C ATOM 1870 CG PRO C 210 1.426 -12.535 1.989 1.00 50.14 C ATOM 1871 CD PRO C 210 1.577 -12.990 3.412 1.00 23.10 C ATOM 0 HA PRO C 210 2.886 -15.362 1.578 1.00 31.21 H new ATOM 0 HB2 PRO C 210 3.354 -12.501 1.039 1.00 11.21 H new ATOM 0 HB3 PRO C 210 2.180 -13.524 0.235 1.00 11.21 H new ATOM 0 HG2 PRO C 210 1.496 -11.450 1.919 1.00 50.14 H new ATOM 0 HG3 PRO C 210 0.451 -12.818 1.592 1.00 50.14 H new ATOM 0 HD2 PRO C 210 2.238 -12.335 3.980 1.00 23.10 H new ATOM 0 HD3 PRO C 210 0.621 -13.010 3.936 1.00 23.10 H new ATOM 1879 N CYS C 211 4.861 -13.191 2.969 1.00 2.35 N ATOM 1880 CA CYS C 211 6.236 -12.926 3.215 1.00 51.01 C ATOM 1881 C CYS C 211 6.638 -13.405 4.588 1.00 23.12 C ATOM 1882 O CYS C 211 6.378 -12.755 5.608 1.00 72.02 O ATOM 1883 CB CYS C 211 6.513 -11.447 3.031 1.00 30.44 C ATOM 1884 SG CYS C 211 5.962 -10.825 1.405 1.00 30.03 S ATOM 0 H CYS C 211 4.227 -12.453 3.275 1.00 2.35 H new ATOM 0 HA CYS C 211 6.841 -13.477 2.495 1.00 51.01 H new ATOM 0 HB2 CYS C 211 6.011 -10.886 3.819 1.00 30.44 H new ATOM 0 HB3 CYS C 211 7.582 -11.265 3.142 1.00 30.44 H new ATOM 1889 N ARG C 212 7.237 -14.561 4.611 1.00 30.01 N ATOM 1890 CA ARG C 212 7.703 -15.157 5.828 1.00 31.12 C ATOM 1891 C ARG C 212 9.006 -14.440 6.189 1.00 32.31 C ATOM 1892 O ARG C 212 9.339 -14.245 7.360 1.00 21.01 O ATOM 1893 CB ARG C 212 7.925 -16.669 5.576 1.00 71.13 C ATOM 1894 CG ARG C 212 8.032 -17.575 6.811 1.00 35.41 C ATOM 1895 CD ARG C 212 9.221 -17.278 7.694 1.00 43.23 C ATOM 1896 NE ARG C 212 9.271 -18.177 8.844 1.00 21.20 N ATOM 1897 CZ ARG C 212 10.102 -18.041 9.877 1.00 50.43 C ATOM 1898 NH1 ARG C 212 10.954 -17.015 9.919 1.00 42.24 N ATOM 1899 NH2 ARG C 212 10.072 -18.920 10.874 1.00 75.13 N ATOM 0 H ARG C 212 7.417 -15.121 3.777 1.00 30.01 H new ATOM 0 HA ARG C 212 6.994 -15.060 6.650 1.00 31.12 H new ATOM 0 HB2 ARG C 212 7.104 -17.033 4.959 1.00 71.13 H new ATOM 0 HB3 ARG C 212 8.838 -16.784 4.992 1.00 71.13 H new ATOM 0 HG2 ARG C 212 7.121 -17.475 7.401 1.00 35.41 H new ATOM 0 HG3 ARG C 212 8.087 -18.613 6.483 1.00 35.41 H new ATOM 0 HD2 ARG C 212 10.139 -17.375 7.115 1.00 43.23 H new ATOM 0 HD3 ARG C 212 9.170 -16.246 8.040 1.00 43.23 H new ATOM 0 HE ARG C 212 8.624 -18.965 8.857 1.00 21.20 H new ATOM 0 HH11 ARG C 212 10.970 -16.334 9.160 1.00 42.24 H new ATOM 0 HH12 ARG C 212 11.590 -16.912 10.710 1.00 42.24 H new ATOM 0 HH21 ARG C 212 9.413 -19.698 10.848 1.00 75.13 H new ATOM 0 HH22 ARG C 212 10.708 -18.816 11.665 1.00 75.13 H new ATOM 1913 N PHE C 213 9.717 -14.037 5.166 1.00 43.44 N ATOM 1914 CA PHE C 213 10.928 -13.292 5.324 1.00 61.14 C ATOM 1915 C PHE C 213 10.731 -11.941 4.682 1.00 53.14 C ATOM 1916 O PHE C 213 10.272 -11.854 3.540 1.00 40.44 O ATOM 1917 CB PHE C 213 12.092 -14.033 4.682 1.00 54.21 C ATOM 1918 CG PHE C 213 12.293 -15.412 5.233 1.00 34.25 C ATOM 1919 CD1 PHE C 213 12.942 -15.598 6.436 1.00 12.24 C ATOM 1920 CD2 PHE C 213 11.815 -16.518 4.557 1.00 63.34 C ATOM 1921 CE1 PHE C 213 13.115 -16.862 6.953 1.00 44.22 C ATOM 1922 CE2 PHE C 213 11.984 -17.781 5.069 1.00 34.34 C ATOM 1923 CZ PHE C 213 12.635 -17.954 6.268 1.00 2.51 C ATOM 0 H PHE C 213 9.465 -14.221 4.195 1.00 43.44 H new ATOM 0 HA PHE C 213 11.162 -13.168 6.381 1.00 61.14 H new ATOM 0 HB2 PHE C 213 11.923 -14.100 3.607 1.00 54.21 H new ATOM 0 HB3 PHE C 213 13.005 -13.455 4.826 1.00 54.21 H new ATOM 0 HD1 PHE C 213 13.318 -14.743 6.978 1.00 12.24 H new ATOM 0 HD2 PHE C 213 11.303 -16.388 3.615 1.00 63.34 H new ATOM 0 HE1 PHE C 213 13.627 -16.996 7.895 1.00 44.22 H new ATOM 0 HE2 PHE C 213 11.606 -18.638 4.531 1.00 34.34 H new ATOM 0 HZ PHE C 213 12.769 -18.947 6.672 1.00 2.51 H new ATOM 1933 N PHE C 214 11.051 -10.903 5.402 1.00 54.31 N ATOM 1934 CA PHE C 214 10.808 -9.559 4.938 1.00 72.12 C ATOM 1935 C PHE C 214 11.988 -8.619 5.168 1.00 3.33 C ATOM 1936 O PHE C 214 12.770 -8.789 6.113 1.00 33.52 O ATOM 1937 CB PHE C 214 9.488 -8.997 5.516 1.00 2.33 C ATOM 1938 CG PHE C 214 9.381 -9.029 7.022 1.00 3.21 C ATOM 1939 CD1 PHE C 214 8.972 -10.182 7.678 1.00 72.02 C ATOM 1940 CD2 PHE C 214 9.679 -7.912 7.776 1.00 32.33 C ATOM 1941 CE1 PHE C 214 8.867 -10.218 9.053 1.00 14.03 C ATOM 1942 CE2 PHE C 214 9.573 -7.942 9.152 1.00 33.32 C ATOM 1943 CZ PHE C 214 9.168 -9.096 9.790 1.00 35.03 C ATOM 0 H PHE C 214 11.486 -10.960 6.323 1.00 54.31 H new ATOM 0 HA PHE C 214 10.695 -9.620 3.856 1.00 72.12 H new ATOM 0 HB2 PHE C 214 9.373 -7.966 5.181 1.00 2.33 H new ATOM 0 HB3 PHE C 214 8.656 -9.563 5.096 1.00 2.33 H new ATOM 0 HD1 PHE C 214 8.732 -11.064 7.103 1.00 72.02 H new ATOM 0 HD2 PHE C 214 9.998 -7.005 7.284 1.00 32.33 H new ATOM 0 HE1 PHE C 214 8.550 -11.123 9.549 1.00 14.03 H new ATOM 0 HE2 PHE C 214 9.808 -7.060 9.730 1.00 33.32 H new ATOM 0 HZ PHE C 214 9.087 -9.119 10.867 1.00 35.03 H new ATOM 1953 N GLU C 215 12.090 -7.659 4.296 1.00 41.11 N ATOM 1954 CA GLU C 215 13.110 -6.635 4.285 1.00 44.11 C ATOM 1955 C GLU C 215 12.740 -5.513 5.240 1.00 20.42 C ATOM 1956 O GLU C 215 11.574 -5.127 5.345 1.00 71.31 O ATOM 1957 CB GLU C 215 13.229 -6.033 2.871 1.00 0.14 C ATOM 1958 CG GLU C 215 13.837 -6.926 1.788 1.00 23.14 C ATOM 1959 CD GLU C 215 13.173 -8.277 1.598 1.00 44.33 C ATOM 1960 OE1 GLU C 215 12.026 -8.334 1.136 1.00 42.41 O ATOM 1961 OE2 GLU C 215 13.820 -9.304 1.865 1.00 73.02 O ATOM 0 H GLU C 215 11.428 -7.558 3.526 1.00 41.11 H new ATOM 0 HA GLU C 215 14.053 -7.090 4.589 1.00 44.11 H new ATOM 0 HB2 GLU C 215 12.233 -5.734 2.545 1.00 0.14 H new ATOM 0 HB3 GLU C 215 13.828 -5.125 2.938 1.00 0.14 H new ATOM 0 HG2 GLU C 215 13.804 -6.389 0.840 1.00 23.14 H new ATOM 0 HG3 GLU C 215 14.888 -7.089 2.026 1.00 23.14 H new ATOM 1968 N SER C 216 13.728 -4.972 5.913 1.00 31.54 N ATOM 1969 CA SER C 216 13.477 -3.884 6.825 1.00 33.35 C ATOM 1970 C SER C 216 14.423 -2.699 6.563 1.00 55.45 C ATOM 1971 O SER C 216 14.341 -1.682 7.224 1.00 20.21 O ATOM 1972 CB SER C 216 13.583 -4.356 8.266 1.00 2.11 C ATOM 1973 OG SER C 216 12.717 -5.457 8.523 1.00 71.20 O ATOM 0 H SER C 216 14.703 -5.264 5.847 1.00 31.54 H new ATOM 0 HA SER C 216 12.459 -3.534 6.653 1.00 33.35 H new ATOM 0 HB2 SER C 216 14.612 -4.644 8.480 1.00 2.11 H new ATOM 0 HB3 SER C 216 13.336 -3.534 8.938 1.00 2.11 H new ATOM 0 HG SER C 216 12.075 -5.212 9.222 1.00 71.20 H new ATOM 1979 N HIS C 217 15.337 -2.854 5.612 1.00 50.25 N ATOM 1980 CA HIS C 217 16.218 -1.764 5.173 1.00 71.41 C ATOM 1981 C HIS C 217 16.473 -1.844 3.691 1.00 51.03 C ATOM 1982 O HIS C 217 17.532 -2.287 3.243 1.00 51.22 O ATOM 1983 CB HIS C 217 17.566 -1.653 5.927 1.00 42.53 C ATOM 1984 CG HIS C 217 17.504 -1.103 7.319 1.00 34.01 C ATOM 1985 ND1 HIS C 217 17.956 0.154 7.641 1.00 3.32 N ATOM 1986 CD2 HIS C 217 17.091 -1.653 8.480 1.00 1.12 C ATOM 1987 CE1 HIS C 217 17.827 0.347 8.929 1.00 41.50 C ATOM 1988 NE2 HIS C 217 17.304 -0.732 9.462 1.00 73.43 N ATOM 0 H HIS C 217 15.493 -3.734 5.121 1.00 50.25 H new ATOM 0 HA HIS C 217 15.667 -0.857 5.422 1.00 71.41 H new ATOM 0 HB2 HIS C 217 18.016 -2.645 5.971 1.00 42.53 H new ATOM 0 HB3 HIS C 217 18.236 -1.024 5.340 1.00 42.53 H new ATOM 0 HD2 HIS C 217 16.670 -2.639 8.607 1.00 1.12 H new ATOM 0 HE1 HIS C 217 18.104 1.244 9.463 1.00 41.50 H new ATOM 0 HE2 HIS C 217 17.091 -0.861 10.451 1.00 73.43 H new ATOM 1997 N VAL C 218 15.482 -1.496 2.949 1.00 42.44 N ATOM 1998 CA VAL C 218 15.580 -1.439 1.522 1.00 23.32 C ATOM 1999 C VAL C 218 15.356 0.025 1.161 1.00 50.33 C ATOM 2000 O VAL C 218 14.876 0.779 2.011 1.00 71.21 O ATOM 2001 CB VAL C 218 14.525 -2.380 0.847 1.00 72.32 C ATOM 2002 CG1 VAL C 218 13.114 -1.916 1.090 1.00 73.42 C ATOM 2003 CG2 VAL C 218 14.792 -2.598 -0.631 1.00 53.32 C ATOM 0 H VAL C 218 14.565 -1.238 3.315 1.00 42.44 H new ATOM 0 HA VAL C 218 16.548 -1.788 1.163 1.00 23.32 H new ATOM 0 HB VAL C 218 14.637 -3.350 1.331 1.00 72.32 H new ATOM 0 HG11 VAL C 218 12.418 -2.599 0.603 1.00 73.42 H new ATOM 0 HG12 VAL C 218 12.916 -1.899 2.162 1.00 73.42 H new ATOM 0 HG13 VAL C 218 12.985 -0.914 0.681 1.00 73.42 H new ATOM 0 HG21 VAL C 218 14.029 -3.258 -1.045 1.00 53.32 H new ATOM 0 HG22 VAL C 218 14.764 -1.640 -1.151 1.00 53.32 H new ATOM 0 HG23 VAL C 218 15.774 -3.053 -0.760 1.00 53.32 H new ATOM 2013 N ALA C 219 15.684 0.439 -0.025 1.00 23.15 N ATOM 2014 CA ALA C 219 15.571 1.829 -0.360 1.00 61.21 C ATOM 2015 C ALA C 219 14.312 2.077 -1.139 1.00 73.33 C ATOM 2016 O ALA C 219 14.008 1.343 -2.083 1.00 4.30 O ATOM 2017 CB ALA C 219 16.791 2.290 -1.147 1.00 23.04 C ATOM 0 H ALA C 219 16.030 -0.160 -0.774 1.00 23.15 H new ATOM 0 HA ALA C 219 15.524 2.406 0.563 1.00 61.21 H new ATOM 0 HB1 ALA C 219 16.688 3.347 -1.392 1.00 23.04 H new ATOM 0 HB2 ALA C 219 17.688 2.143 -0.546 1.00 23.04 H new ATOM 0 HB3 ALA C 219 16.871 1.710 -2.067 1.00 23.04 H new ATOM 2023 N ARG C 220 13.575 3.099 -0.760 1.00 33.23 N ATOM 2024 CA ARG C 220 12.360 3.446 -1.466 1.00 73.01 C ATOM 2025 C ARG C 220 12.661 3.990 -2.867 1.00 55.54 C ATOM 2026 O ARG C 220 11.785 4.098 -3.712 1.00 1.05 O ATOM 2027 CB ARG C 220 11.389 4.324 -0.626 1.00 51.33 C ATOM 2028 CG ARG C 220 11.902 5.678 -0.141 1.00 20.02 C ATOM 2029 CD ARG C 220 12.009 6.686 -1.260 1.00 43.12 C ATOM 2030 NE ARG C 220 12.554 7.962 -0.785 1.00 23.34 N ATOM 2031 CZ ARG C 220 13.387 8.756 -1.475 1.00 5.03 C ATOM 2032 NH1 ARG C 220 13.765 8.426 -2.703 1.00 62.33 N ATOM 2033 NH2 ARG C 220 13.837 9.878 -0.935 1.00 22.11 N ATOM 0 H ARG C 220 13.795 3.703 0.032 1.00 33.23 H new ATOM 0 HA ARG C 220 11.801 2.523 -1.620 1.00 73.01 H new ATOM 0 HB2 ARG C 220 10.493 4.498 -1.221 1.00 51.33 H new ATOM 0 HB3 ARG C 220 11.085 3.747 0.247 1.00 51.33 H new ATOM 0 HG2 ARG C 220 11.233 6.063 0.629 1.00 20.02 H new ATOM 0 HG3 ARG C 220 12.880 5.548 0.323 1.00 20.02 H new ATOM 0 HD2 ARG C 220 12.647 6.288 -2.049 1.00 43.12 H new ATOM 0 HD3 ARG C 220 11.025 6.850 -1.698 1.00 43.12 H new ATOM 0 HE ARG C 220 12.277 8.271 0.147 1.00 23.34 H new ATOM 0 HH11 ARG C 220 13.422 7.564 -3.128 1.00 62.33 H new ATOM 0 HH12 ARG C 220 14.398 9.034 -3.222 1.00 62.33 H new ATOM 0 HH21 ARG C 220 13.551 10.141 0.008 1.00 22.11 H new ATOM 0 HH22 ARG C 220 14.470 10.480 -1.462 1.00 22.11 H new ATOM 2047 N ALA C 221 13.909 4.358 -3.077 1.00 14.54 N ATOM 2048 CA ALA C 221 14.383 4.788 -4.372 1.00 14.14 C ATOM 2049 C ALA C 221 14.694 3.571 -5.257 1.00 12.12 C ATOM 2050 O ALA C 221 14.910 3.707 -6.452 1.00 30.53 O ATOM 2051 CB ALA C 221 15.616 5.666 -4.221 1.00 30.33 C ATOM 0 H ALA C 221 14.624 4.366 -2.349 1.00 14.54 H new ATOM 0 HA ALA C 221 13.600 5.374 -4.852 1.00 14.14 H new ATOM 0 HB1 ALA C 221 15.961 5.982 -5.206 1.00 30.33 H new ATOM 0 HB2 ALA C 221 15.367 6.544 -3.625 1.00 30.33 H new ATOM 0 HB3 ALA C 221 16.405 5.102 -3.724 1.00 30.33 H new ATOM 2057 N ASN C 222 14.713 2.387 -4.652 1.00 34.11 N ATOM 2058 CA ASN C 222 15.027 1.152 -5.375 1.00 23.44 C ATOM 2059 C ASN C 222 13.742 0.349 -5.649 1.00 53.11 C ATOM 2060 O ASN C 222 13.740 -0.632 -6.394 1.00 30.31 O ATOM 2061 CB ASN C 222 16.049 0.312 -4.568 1.00 60.24 C ATOM 2062 CG ASN C 222 16.572 -0.920 -5.308 1.00 41.32 C ATOM 2063 OD1 ASN C 222 16.653 -0.942 -6.540 1.00 74.00 O ATOM 2064 ND2 ASN C 222 16.976 -1.926 -4.567 1.00 51.03 N ATOM 0 H ASN C 222 14.515 2.253 -3.660 1.00 34.11 H new ATOM 0 HA ASN C 222 15.474 1.406 -6.336 1.00 23.44 H new ATOM 0 HB2 ASN C 222 16.894 0.947 -4.301 1.00 60.24 H new ATOM 0 HB3 ASN C 222 15.584 -0.008 -3.636 1.00 60.24 H new ATOM 0 HD21 ASN C 222 17.371 -2.757 -5.007 1.00 51.03 H new ATOM 0 HD22 ASN C 222 16.895 -1.876 -3.551 1.00 51.03 H new ATOM 2071 N VAL C 223 12.653 0.776 -5.044 1.00 71.30 N ATOM 2072 CA VAL C 223 11.358 0.137 -5.245 1.00 63.21 C ATOM 2073 C VAL C 223 10.529 0.931 -6.250 1.00 54.41 C ATOM 2074 O VAL C 223 10.763 2.120 -6.457 1.00 64.00 O ATOM 2075 CB VAL C 223 10.548 0.007 -3.923 1.00 43.04 C ATOM 2076 CG1 VAL C 223 11.326 -0.781 -2.878 1.00 60.10 C ATOM 2077 CG2 VAL C 223 10.145 1.380 -3.382 1.00 43.12 C ATOM 0 H VAL C 223 12.634 1.569 -4.403 1.00 71.30 H new ATOM 0 HA VAL C 223 11.559 -0.866 -5.622 1.00 63.21 H new ATOM 0 HB VAL C 223 9.635 -0.544 -4.149 1.00 43.04 H new ATOM 0 HG11 VAL C 223 10.736 -0.856 -1.965 1.00 60.10 H new ATOM 0 HG12 VAL C 223 11.535 -1.781 -3.258 1.00 60.10 H new ATOM 0 HG13 VAL C 223 12.265 -0.271 -2.662 1.00 60.10 H new ATOM 0 HG21 VAL C 223 9.580 1.256 -2.458 1.00 43.12 H new ATOM 0 HG22 VAL C 223 11.040 1.970 -3.184 1.00 43.12 H new ATOM 0 HG23 VAL C 223 9.527 1.894 -4.118 1.00 43.12 H new ATOM 2087 N LYS C 224 9.611 0.270 -6.897 1.00 23.31 N ATOM 2088 CA LYS C 224 8.709 0.943 -7.800 1.00 32.11 C ATOM 2089 C LYS C 224 7.478 1.463 -7.059 1.00 2.22 C ATOM 2090 O LYS C 224 7.304 2.656 -6.897 1.00 74.42 O ATOM 2091 CB LYS C 224 8.301 0.033 -8.959 1.00 61.25 C ATOM 2092 CG LYS C 224 9.463 -0.367 -9.861 1.00 53.14 C ATOM 2093 CD LYS C 224 9.000 -1.223 -11.031 1.00 70.21 C ATOM 2094 CE LYS C 224 8.545 -2.598 -10.581 1.00 55.24 C ATOM 2095 NZ LYS C 224 7.919 -3.345 -11.683 1.00 31.34 N ATOM 0 H LYS C 224 9.464 -0.736 -6.818 1.00 23.31 H new ATOM 0 HA LYS C 224 9.239 1.798 -8.218 1.00 32.11 H new ATOM 0 HB2 LYS C 224 7.838 -0.868 -8.557 1.00 61.25 H new ATOM 0 HB3 LYS C 224 7.545 0.540 -9.558 1.00 61.25 H new ATOM 0 HG2 LYS C 224 9.956 0.529 -10.238 1.00 53.14 H new ATOM 0 HG3 LYS C 224 10.203 -0.916 -9.279 1.00 53.14 H new ATOM 0 HD2 LYS C 224 8.182 -0.721 -11.547 1.00 70.21 H new ATOM 0 HD3 LYS C 224 9.813 -1.327 -11.749 1.00 70.21 H new ATOM 0 HE2 LYS C 224 9.398 -3.158 -10.199 1.00 55.24 H new ATOM 0 HE3 LYS C 224 7.836 -2.497 -9.759 1.00 55.24 H new ATOM 0 HZ1 LYS C 224 7.619 -4.281 -11.342 1.00 31.34 H new ATOM 0 HZ2 LYS C 224 7.090 -2.821 -12.031 1.00 31.34 H new ATOM 0 HZ3 LYS C 224 8.604 -3.462 -12.457 1.00 31.34 H new ATOM 2109 N HIS C 225 6.654 0.553 -6.578 1.00 64.14 N ATOM 2110 CA HIS C 225 5.419 0.938 -5.880 1.00 13.02 C ATOM 2111 C HIS C 225 5.369 0.261 -4.526 1.00 64.42 C ATOM 2112 O HIS C 225 6.264 -0.509 -4.189 1.00 62.30 O ATOM 2113 CB HIS C 225 4.147 0.536 -6.691 1.00 64.24 C ATOM 2114 CG HIS C 225 3.877 -0.962 -6.807 1.00 31.34 C ATOM 2115 ND1 HIS C 225 3.671 -1.914 -5.848 1.00 52.40 N flip ATOM 2116 CD2 HIS C 225 3.749 -1.623 -7.997 1.00 10.12 C flip ATOM 2117 CE1 HIS C 225 3.437 -3.084 -6.483 1.00 42.14 C flip ATOM 2118 NE2 HIS C 225 3.486 -2.879 -7.771 1.00 15.14 N flip ATOM 0 H HIS C 225 6.805 -0.453 -6.651 1.00 64.14 H new ATOM 0 HA HIS C 225 5.428 2.022 -5.767 1.00 13.02 H new ATOM 0 HB2 HIS C 225 3.280 1.007 -6.228 1.00 64.24 H new ATOM 0 HB3 HIS C 225 4.235 0.949 -7.696 1.00 64.24 H new ATOM 0 HD2 HIS C 225 3.850 -1.173 -8.974 1.00 10.12 H new ATOM 0 HE1 HIS C 225 3.242 -4.032 -6.004 1.00 42.14 H new ATOM 0 HE2 HIS C 225 3.341 -3.590 -8.488 1.00 15.14 H new ATOM 2127 N LEU C 226 4.283 0.477 -3.798 1.00 24.03 N ATOM 2128 CA LEU C 226 4.098 -0.163 -2.516 1.00 24.54 C ATOM 2129 C LEU C 226 2.744 -0.910 -2.537 1.00 4.30 C ATOM 2130 O LEU C 226 1.788 -0.395 -3.079 1.00 61.12 O ATOM 2131 CB LEU C 226 4.059 0.912 -1.435 1.00 13.32 C ATOM 2132 CG LEU C 226 4.310 0.428 -0.031 1.00 11.14 C ATOM 2133 CD1 LEU C 226 5.750 -0.014 0.085 1.00 72.21 C ATOM 2134 CD2 LEU C 226 3.981 1.496 0.990 1.00 13.13 C ATOM 0 H LEU C 226 3.519 1.092 -4.079 1.00 24.03 H new ATOM 0 HA LEU C 226 4.910 -0.861 -2.314 1.00 24.54 H new ATOM 0 HB2 LEU C 226 4.801 1.673 -1.677 1.00 13.32 H new ATOM 0 HB3 LEU C 226 3.083 1.397 -1.465 1.00 13.32 H new ATOM 0 HG LEU C 226 3.655 -0.418 0.177 1.00 11.14 H new ATOM 0 HD11 LEU C 226 5.942 -0.366 1.098 1.00 72.21 H new ATOM 0 HD12 LEU C 226 5.941 -0.821 -0.622 1.00 72.21 H new ATOM 0 HD13 LEU C 226 6.408 0.826 -0.138 1.00 72.21 H new ATOM 0 HD21 LEU C 226 4.174 1.113 1.992 1.00 13.13 H new ATOM 0 HD22 LEU C 226 4.602 2.374 0.811 1.00 13.13 H new ATOM 0 HD23 LEU C 226 2.930 1.771 0.903 1.00 13.13 H new ATOM 2146 N LYS C 227 2.669 -2.128 -2.018 1.00 11.21 N ATOM 2147 CA LYS C 227 1.375 -2.831 -1.941 1.00 12.42 C ATOM 2148 C LYS C 227 1.200 -3.485 -0.579 1.00 65.55 C ATOM 2149 O LYS C 227 2.093 -4.134 -0.103 1.00 61.12 O ATOM 2150 CB LYS C 227 1.208 -3.853 -3.097 1.00 3.33 C ATOM 2151 CG LYS C 227 -0.114 -4.635 -3.052 1.00 60.25 C ATOM 2152 CD LYS C 227 -0.348 -5.520 -4.288 1.00 2.51 C ATOM 2153 CE LYS C 227 0.763 -6.520 -4.505 1.00 33.11 C ATOM 2154 NZ LYS C 227 0.528 -7.384 -5.684 1.00 33.23 N ATOM 0 H LYS C 227 3.464 -2.649 -1.649 1.00 11.21 H new ATOM 0 HA LYS C 227 0.583 -2.091 -2.060 1.00 12.42 H new ATOM 0 HB2 LYS C 227 1.274 -3.325 -4.048 1.00 3.33 H new ATOM 0 HB3 LYS C 227 2.038 -4.559 -3.067 1.00 3.33 H new ATOM 0 HG2 LYS C 227 -0.126 -5.261 -2.160 1.00 60.25 H new ATOM 0 HG3 LYS C 227 -0.940 -3.930 -2.958 1.00 60.25 H new ATOM 0 HD2 LYS C 227 -1.293 -6.051 -4.176 1.00 2.51 H new ATOM 0 HD3 LYS C 227 -0.440 -4.888 -5.171 1.00 2.51 H new ATOM 0 HE2 LYS C 227 1.706 -5.988 -4.631 1.00 33.11 H new ATOM 0 HE3 LYS C 227 0.865 -7.143 -3.617 1.00 33.11 H new ATOM 0 HZ1 LYS C 227 1.319 -8.052 -5.788 1.00 33.23 H new ATOM 0 HZ2 LYS C 227 -0.358 -7.914 -5.555 1.00 33.23 H new ATOM 0 HZ3 LYS C 227 0.458 -6.795 -6.538 1.00 33.23 H new ATOM 2168 N ILE C 228 0.048 -3.298 0.028 1.00 70.14 N ATOM 2169 CA ILE C 228 -0.213 -3.799 1.367 1.00 24.04 C ATOM 2170 C ILE C 228 -1.251 -4.934 1.344 1.00 11.03 C ATOM 2171 O ILE C 228 -2.378 -4.770 0.804 1.00 53.20 O ATOM 2172 CB ILE C 228 -0.739 -2.662 2.301 1.00 44.12 C ATOM 2173 CG1 ILE C 228 0.243 -1.477 2.318 1.00 23.40 C ATOM 2174 CG2 ILE C 228 -0.944 -3.195 3.722 1.00 10.00 C ATOM 2175 CD1 ILE C 228 -0.217 -0.297 3.159 1.00 34.41 C ATOM 0 H ILE C 228 -0.735 -2.795 -0.389 1.00 70.14 H new ATOM 0 HA ILE C 228 0.733 -4.179 1.752 1.00 24.04 H new ATOM 0 HB ILE C 228 -1.696 -2.314 1.913 1.00 44.12 H new ATOM 0 HG12 ILE C 228 1.206 -1.823 2.694 1.00 23.40 H new ATOM 0 HG13 ILE C 228 0.404 -1.138 1.294 1.00 23.40 H new ATOM 0 HG21 ILE C 228 -1.311 -2.393 4.362 1.00 10.00 H new ATOM 0 HG22 ILE C 228 -1.671 -4.007 3.705 1.00 10.00 H new ATOM 0 HG23 ILE C 228 0.004 -3.566 4.112 1.00 10.00 H new ATOM 0 HD11 ILE C 228 0.532 0.494 3.117 1.00 34.41 H new ATOM 0 HD12 ILE C 228 -1.164 0.079 2.771 1.00 34.41 H new ATOM 0 HD13 ILE C 228 -0.349 -0.617 4.193 1.00 34.41 H new ATOM 2187 N LEU C 229 -0.852 -6.075 1.889 1.00 42.31 N ATOM 2188 CA LEU C 229 -1.721 -7.219 2.083 1.00 45.41 C ATOM 2189 C LEU C 229 -1.627 -7.691 3.530 1.00 1.42 C ATOM 2190 O LEU C 229 -0.759 -8.462 3.876 1.00 30.40 O ATOM 2191 CB LEU C 229 -1.412 -8.436 1.146 1.00 71.24 C ATOM 2192 CG LEU C 229 -1.606 -8.278 -0.376 1.00 31.25 C ATOM 2193 CD1 LEU C 229 -0.571 -7.367 -0.986 1.00 2.30 C ATOM 2194 CD2 LEU C 229 -1.597 -9.631 -1.066 1.00 1.22 C ATOM 0 H LEU C 229 0.103 -6.231 2.213 1.00 42.31 H new ATOM 0 HA LEU C 229 -2.723 -6.872 1.830 1.00 45.41 H new ATOM 0 HB2 LEU C 229 -0.376 -8.728 1.317 1.00 71.24 H new ATOM 0 HB3 LEU C 229 -2.035 -9.269 1.472 1.00 71.24 H new ATOM 0 HG LEU C 229 -2.581 -7.815 -0.528 1.00 31.25 H new ATOM 0 HD11 LEU C 229 -0.746 -7.285 -2.059 1.00 2.30 H new ATOM 0 HD12 LEU C 229 -0.641 -6.379 -0.530 1.00 2.30 H new ATOM 0 HD13 LEU C 229 0.423 -7.777 -0.811 1.00 2.30 H new ATOM 0 HD21 LEU C 229 -1.736 -9.493 -2.138 1.00 1.22 H new ATOM 0 HD22 LEU C 229 -0.643 -10.126 -0.884 1.00 1.22 H new ATOM 0 HD23 LEU C 229 -2.406 -10.246 -0.672 1.00 1.22 H new ATOM 2206 N ASN C 230 -2.490 -7.212 4.367 1.00 51.12 N ATOM 2207 CA ASN C 230 -2.505 -7.639 5.754 1.00 65.05 C ATOM 2208 C ASN C 230 -3.246 -8.944 5.841 1.00 44.13 C ATOM 2209 O ASN C 230 -4.475 -8.989 5.727 1.00 74.03 O ATOM 2210 CB ASN C 230 -3.195 -6.588 6.644 1.00 25.02 C ATOM 2211 CG ASN C 230 -3.272 -6.981 8.123 1.00 52.52 C ATOM 2212 OD1 ASN C 230 -2.386 -6.673 8.901 1.00 65.22 O ATOM 2213 ND2 ASN C 230 -4.338 -7.653 8.508 1.00 62.31 N ATOM 0 H ASN C 230 -3.201 -6.522 4.126 1.00 51.12 H new ATOM 0 HA ASN C 230 -1.480 -7.758 6.106 1.00 65.05 H new ATOM 0 HB2 ASN C 230 -2.658 -5.643 6.557 1.00 25.02 H new ATOM 0 HB3 ASN C 230 -4.205 -6.417 6.271 1.00 25.02 H new ATOM 0 HD21 ASN C 230 -4.440 -7.932 9.484 1.00 62.31 H new ATOM 0 HD22 ASN C 230 -5.061 -7.894 7.830 1.00 62.31 H new ATOM 2220 N THR C 231 -2.496 -9.999 5.997 1.00 23.44 N ATOM 2221 CA THR C 231 -3.033 -11.317 6.059 1.00 34.20 C ATOM 2222 C THR C 231 -3.247 -11.720 7.513 1.00 3.12 C ATOM 2223 O THR C 231 -2.321 -11.591 8.324 1.00 42.33 O ATOM 2224 CB THR C 231 -2.054 -12.289 5.378 1.00 63.53 C ATOM 2225 OG1 THR C 231 -0.772 -12.189 6.024 1.00 1.12 O ATOM 2226 CG2 THR C 231 -1.895 -11.927 3.909 1.00 22.21 C ATOM 0 H THR C 231 -1.481 -9.960 6.085 1.00 23.44 H new ATOM 0 HA THR C 231 -3.993 -11.349 5.544 1.00 34.20 H new ATOM 0 HB THR C 231 -2.442 -13.304 5.458 1.00 63.53 H new ATOM 0 HG1 THR C 231 -0.893 -11.869 6.942 1.00 1.12 H new ATOM 0 HG21 THR C 231 -1.200 -12.621 3.436 1.00 22.21 H new ATOM 0 HG22 THR C 231 -2.863 -11.988 3.412 1.00 22.21 H new ATOM 0 HG23 THR C 231 -1.508 -10.912 3.824 1.00 22.21 H new ATOM 2234 N PRO C 232 -4.455 -12.210 7.865 1.00 73.30 N ATOM 2235 CA PRO C 232 -4.803 -12.584 9.246 1.00 53.32 C ATOM 2236 C PRO C 232 -3.894 -13.671 9.848 1.00 55.13 C ATOM 2237 O PRO C 232 -4.154 -14.869 9.688 1.00 14.34 O ATOM 2238 CB PRO C 232 -6.250 -13.081 9.146 1.00 74.14 C ATOM 2239 CG PRO C 232 -6.766 -12.512 7.870 1.00 2.35 C ATOM 2240 CD PRO C 232 -5.590 -12.424 6.946 1.00 23.01 C ATOM 0 HA PRO C 232 -4.675 -11.734 9.916 1.00 53.32 H new ATOM 0 HB2 PRO C 232 -6.294 -14.170 9.139 1.00 74.14 H new ATOM 0 HB3 PRO C 232 -6.843 -12.744 9.997 1.00 74.14 H new ATOM 0 HG2 PRO C 232 -7.546 -13.146 7.448 1.00 2.35 H new ATOM 0 HG3 PRO C 232 -7.208 -11.529 8.033 1.00 2.35 H new ATOM 0 HD2 PRO C 232 -5.468 -13.336 6.361 1.00 23.01 H new ATOM 0 HD3 PRO C 232 -5.695 -11.602 6.237 1.00 23.01 H new ATOM 2248 N ASN C 233 -2.806 -13.209 10.486 1.00 65.35 N ATOM 2249 CA ASN C 233 -1.769 -14.028 11.179 1.00 0.42 C ATOM 2250 C ASN C 233 -0.515 -13.181 11.268 1.00 50.33 C ATOM 2251 O ASN C 233 0.292 -13.293 12.201 1.00 75.30 O ATOM 2252 CB ASN C 233 -1.401 -15.319 10.395 1.00 52.33 C ATOM 2253 CG ASN C 233 -0.387 -16.198 11.130 1.00 61.22 C ATOM 2254 OD1 ASN C 233 -0.763 -17.058 11.926 1.00 33.10 O ATOM 2255 ND2 ASN C 233 0.884 -16.015 10.857 1.00 13.11 N ATOM 0 H ASN C 233 -2.606 -12.210 10.542 1.00 65.35 H new ATOM 0 HA ASN C 233 -2.163 -14.324 12.151 1.00 0.42 H new ATOM 0 HB2 ASN C 233 -2.307 -15.896 10.211 1.00 52.33 H new ATOM 0 HB3 ASN C 233 -0.996 -15.043 9.422 1.00 52.33 H new ATOM 0 HD21 ASN C 233 1.591 -16.594 11.309 1.00 13.11 H new ATOM 0 HD22 ASN C 233 1.164 -15.294 10.192 1.00 13.11 H new ATOM 2262 N CYS C 234 -0.393 -12.307 10.305 1.00 12.05 N ATOM 2263 CA CYS C 234 0.753 -11.455 10.123 1.00 53.52 C ATOM 2264 C CYS C 234 0.317 -10.020 10.080 1.00 62.14 C ATOM 2265 O CYS C 234 -0.881 -9.733 9.933 1.00 53.32 O ATOM 2266 CB CYS C 234 1.499 -11.832 8.829 1.00 44.21 C ATOM 2267 SG CYS C 234 2.267 -13.471 8.866 1.00 5.33 S ATOM 0 H CYS C 234 -1.115 -12.163 9.599 1.00 12.05 H new ATOM 0 HA CYS C 234 1.435 -11.591 10.963 1.00 53.52 H new ATOM 0 HB2 CYS C 234 0.799 -11.790 7.994 1.00 44.21 H new ATOM 0 HB3 CYS C 234 2.270 -11.086 8.637 1.00 44.21 H new ATOM 2272 N ALA C 235 1.257 -9.124 10.274 1.00 2.43 N ATOM 2273 CA ALA C 235 0.990 -7.709 10.228 1.00 10.42 C ATOM 2274 C ALA C 235 0.746 -7.270 8.785 1.00 13.22 C ATOM 2275 O ALA C 235 0.559 -8.109 7.888 1.00 30.45 O ATOM 2276 CB ALA C 235 2.161 -6.946 10.826 1.00 62.21 C ATOM 0 H ALA C 235 2.230 -9.359 10.469 1.00 2.43 H new ATOM 0 HA ALA C 235 0.095 -7.492 10.812 1.00 10.42 H new ATOM 0 HB1 ALA C 235 1.955 -5.876 10.789 1.00 62.21 H new ATOM 0 HB2 ALA C 235 2.304 -7.253 11.862 1.00 62.21 H new ATOM 0 HB3 ALA C 235 3.065 -7.161 10.256 1.00 62.21 H new ATOM 2282 N CYS C 236 0.737 -5.973 8.561 1.00 33.42 N ATOM 2283 CA CYS C 236 0.523 -5.443 7.243 1.00 65.42 C ATOM 2284 C CYS C 236 1.701 -5.784 6.334 1.00 10.34 C ATOM 2285 O CYS C 236 2.721 -5.118 6.348 1.00 72.22 O ATOM 2286 CB CYS C 236 0.266 -3.927 7.294 1.00 30.10 C ATOM 2287 SG CYS C 236 -1.182 -3.462 8.326 1.00 62.24 S ATOM 0 H CYS C 236 0.877 -5.267 9.284 1.00 33.42 H new ATOM 0 HA CYS C 236 -0.369 -5.908 6.823 1.00 65.42 H new ATOM 0 HB2 CYS C 236 1.154 -3.429 7.683 1.00 30.10 H new ATOM 0 HB3 CYS C 236 0.112 -3.558 6.280 1.00 30.10 H new ATOM 2292 N GLN C 237 1.567 -6.895 5.641 1.00 23.03 N ATOM 2293 CA GLN C 237 2.539 -7.359 4.676 1.00 11.12 C ATOM 2294 C GLN C 237 2.613 -6.395 3.556 1.00 43.53 C ATOM 2295 O GLN C 237 1.681 -6.274 2.767 1.00 72.45 O ATOM 2296 CB GLN C 237 2.134 -8.726 4.136 1.00 4.55 C ATOM 2297 CG GLN C 237 2.127 -9.813 5.173 1.00 41.41 C ATOM 2298 CD GLN C 237 3.513 -10.184 5.581 1.00 22.42 C ATOM 2299 OE1 GLN C 237 4.110 -11.075 5.005 1.00 14.42 O ATOM 2300 NE2 GLN C 237 4.052 -9.486 6.534 1.00 51.32 N ATOM 0 H GLN C 237 0.761 -7.514 5.736 1.00 23.03 H new ATOM 0 HA GLN C 237 3.511 -7.442 5.162 1.00 11.12 H new ATOM 0 HB2 GLN C 237 1.140 -8.652 3.695 1.00 4.55 H new ATOM 0 HB3 GLN C 237 2.818 -9.006 3.335 1.00 4.55 H new ATOM 0 HG2 GLN C 237 1.565 -9.481 6.046 1.00 41.41 H new ATOM 0 HG3 GLN C 237 1.615 -10.691 4.779 1.00 41.41 H new ATOM 0 HE21 GLN C 237 3.517 -8.748 6.991 1.00 51.32 H new ATOM 0 HE22 GLN C 237 5.011 -9.676 6.826 1.00 51.32 H new ATOM 2309 N ILE C 238 3.669 -5.688 3.493 1.00 44.32 N ATOM 2310 CA ILE C 238 3.821 -4.755 2.466 1.00 13.11 C ATOM 2311 C ILE C 238 4.778 -5.344 1.477 1.00 60.04 C ATOM 2312 O ILE C 238 5.811 -5.852 1.851 1.00 53.21 O ATOM 2313 CB ILE C 238 4.362 -3.417 2.994 1.00 70.24 C ATOM 2314 CG1 ILE C 238 3.561 -2.971 4.220 1.00 25.31 C ATOM 2315 CG2 ILE C 238 4.212 -2.382 1.914 1.00 1.41 C ATOM 2316 CD1 ILE C 238 3.999 -1.650 4.800 1.00 12.14 C ATOM 0 H ILE C 238 4.447 -5.742 4.151 1.00 44.32 H new ATOM 0 HA ILE C 238 2.855 -4.546 2.007 1.00 13.11 H new ATOM 0 HB ILE C 238 5.409 -3.534 3.274 1.00 70.24 H new ATOM 0 HG12 ILE C 238 2.508 -2.903 3.947 1.00 25.31 H new ATOM 0 HG13 ILE C 238 3.642 -3.738 4.991 1.00 25.31 H new ATOM 0 HG21 ILE C 238 4.591 -1.425 2.272 1.00 1.41 H new ATOM 0 HG22 ILE C 238 4.777 -2.690 1.034 1.00 1.41 H new ATOM 0 HG23 ILE C 238 3.159 -2.280 1.652 1.00 1.41 H new ATOM 0 HD11 ILE C 238 3.380 -1.409 5.664 1.00 12.14 H new ATOM 0 HD12 ILE C 238 5.043 -1.716 5.108 1.00 12.14 H new ATOM 0 HD13 ILE C 238 3.891 -0.869 4.048 1.00 12.14 H new ATOM 2328 N VAL C 239 4.415 -5.325 0.246 1.00 73.03 N ATOM 2329 CA VAL C 239 5.216 -5.891 -0.787 1.00 73.24 C ATOM 2330 C VAL C 239 5.506 -4.835 -1.849 1.00 2.12 C ATOM 2331 O VAL C 239 4.585 -4.171 -2.366 1.00 74.31 O ATOM 2332 CB VAL C 239 4.514 -7.128 -1.418 1.00 41.04 C ATOM 2333 CG1 VAL C 239 5.382 -7.760 -2.491 1.00 74.32 C ATOM 2334 CG2 VAL C 239 4.147 -8.156 -0.336 1.00 62.11 C ATOM 0 H VAL C 239 3.542 -4.911 -0.081 1.00 73.03 H new ATOM 0 HA VAL C 239 6.159 -6.228 -0.356 1.00 73.24 H new ATOM 0 HB VAL C 239 3.593 -6.787 -1.891 1.00 41.04 H new ATOM 0 HG11 VAL C 239 4.867 -8.622 -2.915 1.00 74.32 H new ATOM 0 HG12 VAL C 239 5.577 -7.031 -3.278 1.00 74.32 H new ATOM 0 HG13 VAL C 239 6.327 -8.082 -2.052 1.00 74.32 H new ATOM 0 HG21 VAL C 239 3.657 -9.013 -0.799 1.00 62.11 H new ATOM 0 HG22 VAL C 239 5.052 -8.487 0.173 1.00 62.11 H new ATOM 0 HG23 VAL C 239 3.471 -7.698 0.386 1.00 62.11 H new ATOM 2344 N ALA C 240 6.762 -4.670 -2.160 1.00 14.54 N ATOM 2345 CA ALA C 240 7.202 -3.705 -3.123 1.00 33.01 C ATOM 2346 C ALA C 240 8.034 -4.385 -4.177 1.00 44.14 C ATOM 2347 O ALA C 240 8.798 -5.297 -3.886 1.00 33.11 O ATOM 2348 CB ALA C 240 8.008 -2.607 -2.451 1.00 41.42 C ATOM 0 H ALA C 240 7.519 -5.212 -1.743 1.00 14.54 H new ATOM 0 HA ALA C 240 6.328 -3.252 -3.590 1.00 33.01 H new ATOM 0 HB1 ALA C 240 8.333 -1.884 -3.199 1.00 41.42 H new ATOM 0 HB2 ALA C 240 7.390 -2.105 -1.707 1.00 41.42 H new ATOM 0 HB3 ALA C 240 8.881 -3.042 -1.964 1.00 41.42 H new ATOM 2354 N ARG C 241 7.880 -3.969 -5.392 1.00 64.44 N ATOM 2355 CA ARG C 241 8.637 -4.557 -6.457 1.00 53.53 C ATOM 2356 C ARG C 241 9.778 -3.662 -6.815 1.00 44.03 C ATOM 2357 O ARG C 241 9.596 -2.456 -6.990 1.00 14.23 O ATOM 2358 CB ARG C 241 7.780 -4.885 -7.666 1.00 72.02 C ATOM 2359 CG ARG C 241 6.651 -5.839 -7.359 1.00 2.11 C ATOM 2360 CD ARG C 241 5.961 -6.289 -8.618 1.00 53.44 C ATOM 2361 NE ARG C 241 6.816 -7.150 -9.432 1.00 43.34 N ATOM 2362 CZ ARG C 241 6.461 -7.729 -10.594 1.00 23.14 C ATOM 2363 NH1 ARG C 241 5.262 -7.505 -11.137 1.00 2.31 N ATOM 2364 NH2 ARG C 241 7.315 -8.524 -11.214 1.00 43.22 N ATOM 0 H ARG C 241 7.240 -3.227 -5.675 1.00 64.44 H new ATOM 0 HA ARG C 241 9.032 -5.510 -6.105 1.00 53.53 H new ATOM 0 HB2 ARG C 241 7.366 -3.961 -8.070 1.00 72.02 H new ATOM 0 HB3 ARG C 241 8.411 -5.318 -8.443 1.00 72.02 H new ATOM 0 HG2 ARG C 241 7.039 -6.706 -6.824 1.00 2.11 H new ATOM 0 HG3 ARG C 241 5.931 -5.354 -6.700 1.00 2.11 H new ATOM 0 HD2 ARG C 241 5.048 -6.825 -8.359 1.00 53.44 H new ATOM 0 HD3 ARG C 241 5.665 -5.417 -9.201 1.00 53.44 H new ATOM 0 HE ARG C 241 7.761 -7.327 -9.091 1.00 43.34 H new ATOM 0 HH11 ARG C 241 4.598 -6.887 -10.671 1.00 2.31 H new ATOM 0 HH12 ARG C 241 5.010 -7.952 -12.018 1.00 2.31 H new ATOM 0 HH21 ARG C 241 8.236 -8.696 -10.812 1.00 43.22 H new ATOM 0 HH22 ARG C 241 7.053 -8.966 -12.095 1.00 43.22 H new ATOM 2378 N LEU C 242 10.931 -4.249 -6.898 1.00 70.33 N ATOM 2379 CA LEU C 242 12.179 -3.530 -7.154 1.00 5.21 C ATOM 2380 C LEU C 242 12.299 -3.107 -8.601 1.00 64.35 C ATOM 2381 O LEU C 242 11.714 -3.740 -9.496 1.00 54.40 O ATOM 2382 CB LEU C 242 13.400 -4.386 -6.761 1.00 72.31 C ATOM 2383 CG LEU C 242 13.545 -4.748 -5.285 1.00 41.50 C ATOM 2384 CD1 LEU C 242 14.770 -5.619 -5.083 1.00 53.42 C ATOM 2385 CD2 LEU C 242 13.646 -3.493 -4.429 1.00 33.40 C ATOM 0 H LEU C 242 11.053 -5.256 -6.791 1.00 70.33 H new ATOM 0 HA LEU C 242 12.158 -2.632 -6.537 1.00 5.21 H new ATOM 0 HB2 LEU C 242 13.364 -5.312 -7.335 1.00 72.31 H new ATOM 0 HB3 LEU C 242 14.300 -3.854 -7.070 1.00 72.31 H new ATOM 0 HG LEU C 242 12.659 -5.302 -4.976 1.00 41.50 H new ATOM 0 HD11 LEU C 242 14.866 -5.873 -4.027 1.00 53.42 H new ATOM 0 HD12 LEU C 242 14.667 -6.533 -5.668 1.00 53.42 H new ATOM 0 HD13 LEU C 242 15.659 -5.078 -5.408 1.00 53.42 H new ATOM 0 HD21 LEU C 242 13.749 -3.775 -3.381 1.00 33.40 H new ATOM 0 HD22 LEU C 242 14.516 -2.912 -4.736 1.00 33.40 H new ATOM 0 HD23 LEU C 242 12.746 -2.892 -4.557 1.00 33.40 H new ATOM 2397 N LYS C 243 13.037 -2.025 -8.814 1.00 50.35 N ATOM 2398 CA LYS C 243 13.327 -1.501 -10.134 1.00 25.42 C ATOM 2399 C LYS C 243 14.283 -2.413 -10.872 1.00 40.24 C ATOM 2400 O LYS C 243 14.895 -3.318 -10.265 1.00 1.32 O ATOM 2401 CB LYS C 243 13.977 -0.154 -9.976 1.00 31.03 C ATOM 2402 CG LYS C 243 13.141 0.802 -9.186 1.00 63.20 C ATOM 2403 CD LYS C 243 13.878 2.074 -8.888 1.00 74.04 C ATOM 2404 CE LYS C 243 14.227 2.852 -10.147 1.00 64.35 C ATOM 2405 NZ LYS C 243 14.946 4.107 -9.850 1.00 1.23 N ATOM 0 H LYS C 243 13.456 -1.481 -8.059 1.00 50.35 H new ATOM 0 HA LYS C 243 12.399 -1.427 -10.701 1.00 25.42 H new ATOM 0 HB2 LYS C 243 14.943 -0.277 -9.486 1.00 31.03 H new ATOM 0 HB3 LYS C 243 14.171 0.269 -10.962 1.00 31.03 H new ATOM 0 HG2 LYS C 243 12.230 1.031 -9.739 1.00 63.20 H new ATOM 0 HG3 LYS C 243 12.836 0.331 -8.251 1.00 63.20 H new ATOM 0 HD2 LYS C 243 13.269 2.699 -8.235 1.00 74.04 H new ATOM 0 HD3 LYS C 243 14.793 1.841 -8.343 1.00 74.04 H new ATOM 0 HE2 LYS C 243 14.841 2.229 -10.797 1.00 64.35 H new ATOM 0 HE3 LYS C 243 13.313 3.081 -10.695 1.00 64.35 H new ATOM 0 HZ1 LYS C 243 15.162 4.602 -10.739 1.00 1.23 H new ATOM 0 HZ2 LYS C 243 14.351 4.715 -9.251 1.00 1.23 H new ATOM 0 HZ3 LYS C 243 15.832 3.890 -9.351 1.00 1.23 H new ATOM 2461 N ARG C 247 14.076 -8.756 -7.910 1.00 14.23 N ATOM 2462 CA ARG C 247 13.001 -9.533 -7.326 1.00 13.41 C ATOM 2463 C ARG C 247 12.054 -8.645 -6.534 1.00 45.33 C ATOM 2464 O ARG C 247 12.212 -7.423 -6.531 1.00 2.21 O ATOM 2465 CB ARG C 247 13.556 -10.765 -6.514 1.00 23.22 C ATOM 2466 CG ARG C 247 14.512 -10.506 -5.303 1.00 72.11 C ATOM 2467 CD ARG C 247 13.798 -9.948 -4.069 1.00 10.41 C ATOM 2468 NE ARG C 247 14.676 -9.867 -2.875 1.00 61.14 N ATOM 2469 CZ ARG C 247 14.229 -9.834 -1.579 1.00 53.41 C ATOM 2470 NH1 ARG C 247 12.926 -9.841 -1.313 1.00 21.31 N ATOM 2471 NH2 ARG C 247 15.094 -9.782 -0.569 1.00 73.41 N ATOM 0 HA ARG C 247 12.403 -9.963 -8.130 1.00 13.41 H new ATOM 0 HB2 ARG C 247 12.699 -11.327 -6.143 1.00 23.22 H new ATOM 0 HB3 ARG C 247 14.082 -11.412 -7.216 1.00 23.22 H new ATOM 0 HG2 ARG C 247 15.007 -11.439 -5.035 1.00 72.11 H new ATOM 0 HG3 ARG C 247 15.291 -9.808 -5.609 1.00 72.11 H new ATOM 0 HD2 ARG C 247 13.413 -8.954 -4.298 1.00 10.41 H new ATOM 0 HD3 ARG C 247 12.938 -10.577 -3.838 1.00 10.41 H new ATOM 0 HE ARG C 247 15.684 -9.833 -3.029 1.00 61.14 H new ATOM 0 HH11 ARG C 247 12.250 -9.871 -2.076 1.00 21.31 H new ATOM 0 HH12 ARG C 247 12.603 -9.816 -0.346 1.00 21.31 H new ATOM 0 HH21 ARG C 247 16.097 -9.766 -0.756 1.00 73.41 H new ATOM 0 HH22 ARG C 247 14.754 -9.758 0.393 1.00 73.41 H new ATOM 2485 N GLN C 248 11.078 -9.229 -5.899 1.00 52.23 N ATOM 2486 CA GLN C 248 10.146 -8.466 -5.106 1.00 30.12 C ATOM 2487 C GLN C 248 10.506 -8.496 -3.637 1.00 24.13 C ATOM 2488 O GLN C 248 10.934 -9.515 -3.120 1.00 14.21 O ATOM 2489 CB GLN C 248 8.672 -8.869 -5.369 1.00 54.41 C ATOM 2490 CG GLN C 248 8.339 -10.385 -5.468 1.00 13.21 C ATOM 2491 CD GLN C 248 8.765 -11.240 -4.285 1.00 63.54 C ATOM 2492 OE1 GLN C 248 9.863 -11.801 -4.272 1.00 20.44 O ATOM 2493 NE2 GLN C 248 7.926 -11.338 -3.288 1.00 72.13 N ATOM 0 H GLN C 248 10.904 -10.234 -5.913 1.00 52.23 H new ATOM 0 HA GLN C 248 10.231 -7.428 -5.429 1.00 30.12 H new ATOM 0 HB2 GLN C 248 8.062 -8.444 -4.572 1.00 54.41 H new ATOM 0 HB3 GLN C 248 8.357 -8.396 -6.299 1.00 54.41 H new ATOM 0 HG2 GLN C 248 7.262 -10.492 -5.599 1.00 13.21 H new ATOM 0 HG3 GLN C 248 8.811 -10.782 -6.367 1.00 13.21 H new ATOM 0 HE21 GLN C 248 7.025 -10.861 -3.331 1.00 72.13 H new ATOM 0 HE22 GLN C 248 8.172 -11.891 -2.467 1.00 72.13 H new ATOM 2502 N VAL C 249 10.381 -7.382 -2.979 1.00 45.04 N ATOM 2503 CA VAL C 249 10.725 -7.322 -1.588 1.00 53.24 C ATOM 2504 C VAL C 249 9.498 -7.120 -0.754 1.00 54.13 C ATOM 2505 O VAL C 249 8.495 -6.558 -1.211 1.00 4.33 O ATOM 2506 CB VAL C 249 11.799 -6.240 -1.241 1.00 63.34 C ATOM 2507 CG1 VAL C 249 13.086 -6.479 -1.998 1.00 62.22 C ATOM 2508 CG2 VAL C 249 11.302 -4.822 -1.458 1.00 44.33 C ATOM 0 H VAL C 249 10.045 -6.506 -3.379 1.00 45.04 H new ATOM 0 HA VAL C 249 11.181 -8.284 -1.354 1.00 53.24 H new ATOM 0 HB VAL C 249 12.000 -6.343 -0.175 1.00 63.34 H new ATOM 0 HG11 VAL C 249 13.812 -5.710 -1.734 1.00 62.22 H new ATOM 0 HG12 VAL C 249 13.485 -7.459 -1.737 1.00 62.22 H new ATOM 0 HG13 VAL C 249 12.890 -6.441 -3.070 1.00 62.22 H new ATOM 0 HG21 VAL C 249 12.092 -4.116 -1.200 1.00 44.33 H new ATOM 0 HG22 VAL C 249 11.024 -4.690 -2.504 1.00 44.33 H new ATOM 0 HG23 VAL C 249 10.433 -4.640 -0.826 1.00 44.33 H new ATOM 2518 N CYS C 250 9.564 -7.573 0.430 1.00 14.03 N ATOM 2519 CA CYS C 250 8.500 -7.433 1.344 1.00 12.52 C ATOM 2520 C CYS C 250 8.984 -6.533 2.422 1.00 21.43 C ATOM 2521 O CYS C 250 10.011 -6.774 2.990 1.00 64.23 O ATOM 2522 CB CYS C 250 8.122 -8.790 1.899 1.00 25.31 C ATOM 2523 SG CYS C 250 7.622 -9.991 0.623 1.00 61.22 S ATOM 0 H CYS C 250 10.376 -8.064 0.805 1.00 14.03 H new ATOM 0 HA CYS C 250 7.612 -7.016 0.869 1.00 12.52 H new ATOM 0 HB2 CYS C 250 8.969 -9.194 2.454 1.00 25.31 H new ATOM 0 HB3 CYS C 250 7.305 -8.667 2.610 1.00 25.31 H new ATOM 2528 N ILE C 251 8.270 -5.513 2.707 1.00 10.30 N ATOM 2529 CA ILE C 251 8.735 -4.556 3.642 1.00 23.33 C ATOM 2530 C ILE C 251 8.051 -4.567 4.947 1.00 33.44 C ATOM 2531 O ILE C 251 6.824 -4.725 5.043 1.00 32.25 O ATOM 2532 CB ILE C 251 8.947 -3.104 3.108 1.00 35.43 C ATOM 2533 CG1 ILE C 251 7.765 -2.508 2.337 1.00 71.53 C ATOM 2534 CG2 ILE C 251 10.150 -3.043 2.266 1.00 65.11 C ATOM 2535 CD1 ILE C 251 7.487 -3.148 0.985 1.00 21.53 C ATOM 0 H ILE C 251 7.354 -5.315 2.305 1.00 10.30 H new ATOM 0 HA ILE C 251 9.742 -4.934 3.820 1.00 23.33 H new ATOM 0 HB ILE C 251 9.055 -2.494 4.005 1.00 35.43 H new ATOM 0 HG12 ILE C 251 6.870 -2.593 2.953 1.00 71.53 H new ATOM 0 HG13 ILE C 251 7.949 -1.444 2.187 1.00 71.53 H new ATOM 0 HG21 ILE C 251 10.287 -2.025 1.900 1.00 65.11 H new ATOM 0 HG22 ILE C 251 11.020 -3.337 2.853 1.00 65.11 H new ATOM 0 HG23 ILE C 251 10.037 -3.721 1.420 1.00 65.11 H new ATOM 0 HD11 ILE C 251 6.633 -2.657 0.519 1.00 21.53 H new ATOM 0 HD12 ILE C 251 8.362 -3.040 0.344 1.00 21.53 H new ATOM 0 HD13 ILE C 251 7.266 -4.207 1.122 1.00 21.53 H new ATOM 2547 N ASP C 252 8.879 -4.448 5.946 1.00 43.43 N ATOM 2548 CA ASP C 252 8.504 -4.350 7.330 1.00 74.14 C ATOM 2549 C ASP C 252 7.592 -3.133 7.479 1.00 3.14 C ATOM 2550 O ASP C 252 7.984 -2.027 7.108 1.00 24.33 O ATOM 2551 CB ASP C 252 9.794 -4.111 8.135 1.00 52.21 C ATOM 2552 CG ASP C 252 9.649 -4.237 9.635 1.00 25.32 C ATOM 2553 OD1 ASP C 252 8.797 -3.577 10.228 1.00 1.13 O ATOM 2554 OD2 ASP C 252 10.413 -5.018 10.241 1.00 54.14 O ATOM 0 H ASP C 252 9.889 -4.415 5.810 1.00 43.43 H new ATOM 0 HA ASP C 252 7.994 -5.248 7.678 1.00 74.14 H new ATOM 0 HB2 ASP C 252 10.550 -4.820 7.798 1.00 52.21 H new ATOM 0 HB3 ASP C 252 10.168 -3.113 7.905 1.00 52.21 H new ATOM 2559 N PRO C 253 6.366 -3.307 7.999 1.00 64.23 N ATOM 2560 CA PRO C 253 5.433 -2.191 8.171 1.00 32.51 C ATOM 2561 C PRO C 253 5.930 -1.142 9.185 1.00 4.32 C ATOM 2562 O PRO C 253 5.360 -0.063 9.314 1.00 43.52 O ATOM 2563 CB PRO C 253 4.122 -2.837 8.647 1.00 22.02 C ATOM 2564 CG PRO C 253 4.408 -4.289 8.901 1.00 54.31 C ATOM 2565 CD PRO C 253 5.805 -4.598 8.417 1.00 21.00 C ATOM 0 HA PRO C 253 5.316 -1.640 7.238 1.00 32.51 H new ATOM 0 HB2 PRO C 253 3.761 -2.352 9.554 1.00 22.02 H new ATOM 0 HB3 PRO C 253 3.342 -2.725 7.894 1.00 22.02 H new ATOM 0 HG2 PRO C 253 4.318 -4.512 9.964 1.00 54.31 H new ATOM 0 HG3 PRO C 253 3.681 -4.914 8.382 1.00 54.31 H new ATOM 0 HD2 PRO C 253 6.404 -5.049 9.208 1.00 21.00 H new ATOM 0 HD3 PRO C 253 5.786 -5.305 7.588 1.00 21.00 H new ATOM 2573 N LYS C 254 7.002 -1.467 9.870 1.00 75.22 N ATOM 2574 CA LYS C 254 7.591 -0.613 10.869 1.00 2.22 C ATOM 2575 C LYS C 254 8.899 0.035 10.336 1.00 62.01 C ATOM 2576 O LYS C 254 9.594 0.737 11.072 1.00 22.33 O ATOM 2577 CB LYS C 254 7.895 -1.461 12.098 1.00 44.43 C ATOM 2578 CG LYS C 254 6.697 -2.139 12.714 1.00 33.13 C ATOM 2579 CD LYS C 254 7.093 -3.032 13.893 1.00 41.51 C ATOM 2580 CE LYS C 254 7.867 -4.308 13.479 1.00 22.44 C ATOM 2581 NZ LYS C 254 9.202 -4.081 12.850 1.00 64.35 N ATOM 0 H LYS C 254 7.497 -2.350 9.744 1.00 75.22 H new ATOM 0 HA LYS C 254 6.898 0.190 11.121 1.00 2.22 H new ATOM 0 HB2 LYS C 254 8.625 -2.223 11.824 1.00 44.43 H new ATOM 0 HB3 LYS C 254 8.363 -0.828 12.852 1.00 44.43 H new ATOM 0 HG2 LYS C 254 5.986 -1.385 13.052 1.00 33.13 H new ATOM 0 HG3 LYS C 254 6.190 -2.739 11.958 1.00 33.13 H new ATOM 0 HD2 LYS C 254 7.707 -2.454 14.584 1.00 41.51 H new ATOM 0 HD3 LYS C 254 6.193 -3.324 14.434 1.00 41.51 H new ATOM 0 HE2 LYS C 254 8.004 -4.930 14.363 1.00 22.44 H new ATOM 0 HE3 LYS C 254 7.250 -4.875 12.782 1.00 22.44 H new ATOM 0 HZ1 LYS C 254 9.726 -4.979 12.813 1.00 64.35 H new ATOM 0 HZ2 LYS C 254 9.073 -3.715 11.885 1.00 64.35 H new ATOM 0 HZ3 LYS C 254 9.738 -3.390 13.413 1.00 64.35 H new ATOM 2595 N LEU C 255 9.224 -0.222 9.057 1.00 20.10 N ATOM 2596 CA LEU C 255 10.418 0.322 8.397 1.00 33.33 C ATOM 2597 C LEU C 255 10.308 1.863 8.382 1.00 3.31 C ATOM 2598 O LEU C 255 9.208 2.381 8.202 1.00 41.31 O ATOM 2599 CB LEU C 255 10.418 -0.209 6.957 1.00 2.02 C ATOM 2600 CG LEU C 255 11.760 -0.433 6.279 1.00 34.31 C ATOM 2601 CD1 LEU C 255 11.566 -1.010 4.892 1.00 1.21 C ATOM 2602 CD2 LEU C 255 12.617 0.808 6.224 1.00 43.14 C ATOM 0 H LEU C 255 8.660 -0.817 8.450 1.00 20.10 H new ATOM 0 HA LEU C 255 11.333 0.031 8.913 1.00 33.33 H new ATOM 0 HB2 LEU C 255 9.878 -1.156 6.950 1.00 2.02 H new ATOM 0 HB3 LEU C 255 9.846 0.488 6.344 1.00 2.02 H new ATOM 0 HG LEU C 255 12.300 -1.151 6.896 1.00 34.31 H new ATOM 0 HD11 LEU C 255 12.538 -1.163 4.423 1.00 1.21 H new ATOM 0 HD12 LEU C 255 11.043 -1.964 4.965 1.00 1.21 H new ATOM 0 HD13 LEU C 255 10.977 -0.319 4.289 1.00 1.21 H new ATOM 0 HD21 LEU C 255 13.560 0.577 5.728 1.00 43.14 H new ATOM 0 HD22 LEU C 255 12.095 1.586 5.668 1.00 43.14 H new ATOM 0 HD23 LEU C 255 12.816 1.158 7.237 1.00 43.14 H new ATOM 2614 N LYS C 256 11.444 2.597 8.548 1.00 11.31 N ATOM 2615 CA LYS C 256 11.397 4.071 8.615 1.00 43.25 C ATOM 2616 C LYS C 256 10.673 4.692 7.439 1.00 44.53 C ATOM 2617 O LYS C 256 9.731 5.438 7.636 1.00 61.32 O ATOM 2618 CB LYS C 256 12.761 4.743 8.755 1.00 73.45 C ATOM 2619 CG LYS C 256 12.611 6.265 8.738 1.00 31.20 C ATOM 2620 CD LYS C 256 13.913 7.001 8.721 1.00 43.00 C ATOM 2621 CE LYS C 256 13.649 8.484 8.471 1.00 34.24 C ATOM 2622 NZ LYS C 256 14.877 9.288 8.438 1.00 24.20 N ATOM 0 H LYS C 256 12.378 2.197 8.635 1.00 11.31 H new ATOM 0 HA LYS C 256 10.836 4.257 9.531 1.00 43.25 H new ATOM 0 HB2 LYS C 256 13.234 4.428 9.685 1.00 73.45 H new ATOM 0 HB3 LYS C 256 13.414 4.427 7.942 1.00 73.45 H new ATOM 0 HG2 LYS C 256 12.030 6.553 7.862 1.00 31.20 H new ATOM 0 HG3 LYS C 256 12.041 6.574 9.614 1.00 31.20 H new ATOM 0 HD2 LYS C 256 14.433 6.867 9.670 1.00 43.00 H new ATOM 0 HD3 LYS C 256 14.562 6.599 7.943 1.00 43.00 H new ATOM 0 HE2 LYS C 256 13.121 8.599 7.525 1.00 34.24 H new ATOM 0 HE3 LYS C 256 12.992 8.867 9.252 1.00 34.24 H new ATOM 0 HZ1 LYS C 256 14.635 10.285 8.265 1.00 24.20 H new ATOM 0 HZ2 LYS C 256 15.371 9.205 9.349 1.00 24.20 H new ATOM 0 HZ3 LYS C 256 15.496 8.945 7.676 1.00 24.20 H new ATOM 2636 N TRP C 257 11.099 4.393 6.210 1.00 44.55 N ATOM 2637 CA TRP C 257 10.445 5.005 5.067 1.00 71.25 C ATOM 2638 C TRP C 257 8.989 4.617 4.953 1.00 64.42 C ATOM 2639 O TRP C 257 8.222 5.344 4.396 1.00 50.44 O ATOM 2640 CB TRP C 257 11.208 4.905 3.737 1.00 33.24 C ATOM 2641 CG TRP C 257 11.434 3.538 3.206 1.00 13.34 C ATOM 2642 CD1 TRP C 257 12.520 2.767 3.407 1.00 24.54 C ATOM 2643 CD2 TRP C 257 10.566 2.792 2.346 1.00 42.43 C ATOM 2644 NE1 TRP C 257 12.387 1.588 2.738 1.00 61.43 N ATOM 2645 CE2 TRP C 257 11.201 1.577 2.078 1.00 62.34 C ATOM 2646 CE3 TRP C 257 9.313 3.037 1.776 1.00 2.44 C ATOM 2647 CZ2 TRP C 257 10.636 0.601 1.270 1.00 21.53 C ATOM 2648 CZ3 TRP C 257 8.753 2.064 0.971 1.00 11.00 C ATOM 2649 CH2 TRP C 257 9.422 0.858 0.727 1.00 43.10 C ATOM 0 H TRP C 257 11.864 3.755 5.991 1.00 44.55 H new ATOM 0 HA TRP C 257 10.469 6.072 5.288 1.00 71.25 H new ATOM 0 HB2 TRP C 257 10.662 5.477 2.987 1.00 33.24 H new ATOM 0 HB3 TRP C 257 12.177 5.387 3.862 1.00 33.24 H new ATOM 0 HD1 TRP C 257 13.372 3.043 4.011 1.00 24.54 H new ATOM 0 HE1 TRP C 257 13.071 0.832 2.734 1.00 61.43 H new ATOM 0 HE3 TRP C 257 8.795 3.966 1.961 1.00 2.44 H new ATOM 0 HZ2 TRP C 257 11.147 -0.332 1.080 1.00 21.53 H new ATOM 0 HZ3 TRP C 257 7.785 2.236 0.523 1.00 11.00 H new ATOM 0 HH2 TRP C 257 8.960 0.117 0.092 1.00 43.10 H new ATOM 2660 N ILE C 258 8.624 3.458 5.485 1.00 20.41 N ATOM 2661 CA ILE C 258 7.222 3.058 5.548 1.00 43.42 C ATOM 2662 C ILE C 258 6.473 3.962 6.534 1.00 45.13 C ATOM 2663 O ILE C 258 5.374 4.444 6.241 1.00 71.34 O ATOM 2664 CB ILE C 258 7.055 1.562 5.946 1.00 72.15 C ATOM 2665 CG1 ILE C 258 7.581 0.646 4.832 1.00 21.51 C ATOM 2666 CG2 ILE C 258 5.601 1.237 6.273 1.00 33.54 C ATOM 2667 CD1 ILE C 258 6.831 0.798 3.528 1.00 24.42 C ATOM 0 H ILE C 258 9.276 2.779 5.878 1.00 20.41 H new ATOM 0 HA ILE C 258 6.797 3.171 4.551 1.00 43.42 H new ATOM 0 HB ILE C 258 7.645 1.385 6.845 1.00 72.15 H new ATOM 0 HG12 ILE C 258 8.636 0.860 4.663 1.00 21.51 H new ATOM 0 HG13 ILE C 258 7.515 -0.391 5.162 1.00 21.51 H new ATOM 0 HG21 ILE C 258 5.516 0.185 6.547 1.00 33.54 H new ATOM 0 HG22 ILE C 258 5.268 1.857 7.105 1.00 33.54 H new ATOM 0 HG23 ILE C 258 4.979 1.436 5.401 1.00 33.54 H new ATOM 0 HD11 ILE C 258 7.254 0.122 2.784 1.00 24.42 H new ATOM 0 HD12 ILE C 258 5.780 0.556 3.683 1.00 24.42 H new ATOM 0 HD13 ILE C 258 6.918 1.826 3.176 1.00 24.42 H new ATOM 2679 N GLN C 259 7.098 4.206 7.687 1.00 43.25 N ATOM 2680 CA GLN C 259 6.560 5.117 8.703 1.00 74.24 C ATOM 2681 C GLN C 259 6.344 6.500 8.077 1.00 42.31 C ATOM 2682 O GLN C 259 5.361 7.184 8.350 1.00 21.54 O ATOM 2683 CB GLN C 259 7.547 5.248 9.881 1.00 1.21 C ATOM 2684 CG GLN C 259 7.901 3.941 10.589 1.00 11.44 C ATOM 2685 CD GLN C 259 6.741 3.298 11.317 1.00 40.31 C ATOM 2686 OE1 GLN C 259 6.511 3.575 12.491 1.00 11.04 O ATOM 2687 NE2 GLN C 259 6.016 2.433 10.653 1.00 22.53 N ATOM 0 H GLN C 259 7.989 3.780 7.944 1.00 43.25 H new ATOM 0 HA GLN C 259 5.615 4.718 9.071 1.00 74.24 H new ATOM 0 HB2 GLN C 259 8.467 5.703 9.513 1.00 1.21 H new ATOM 0 HB3 GLN C 259 7.123 5.935 10.613 1.00 1.21 H new ATOM 0 HG2 GLN C 259 8.290 3.236 9.854 1.00 11.44 H new ATOM 0 HG3 GLN C 259 8.702 4.133 11.303 1.00 11.44 H new ATOM 0 HE21 GLN C 259 6.234 2.226 9.678 1.00 22.53 H new ATOM 0 HE22 GLN C 259 5.233 1.966 11.110 1.00 22.53 H new ATOM 2696 N GLU C 260 7.280 6.892 7.244 1.00 23.23 N ATOM 2697 CA GLU C 260 7.235 8.148 6.527 1.00 42.44 C ATOM 2698 C GLU C 260 6.164 8.114 5.438 1.00 33.53 C ATOM 2699 O GLU C 260 5.353 9.024 5.318 1.00 13.34 O ATOM 2700 CB GLU C 260 8.589 8.379 5.870 1.00 52.31 C ATOM 2701 CG GLU C 260 9.752 8.429 6.833 1.00 65.55 C ATOM 2702 CD GLU C 260 9.652 9.569 7.785 1.00 63.30 C ATOM 2703 OE1 GLU C 260 10.144 10.656 7.453 1.00 74.43 O ATOM 2704 OE2 GLU C 260 9.074 9.415 8.878 1.00 71.43 O ATOM 0 H GLU C 260 8.111 6.337 7.041 1.00 23.23 H new ATOM 0 HA GLU C 260 6.998 8.947 7.229 1.00 42.44 H new ATOM 0 HB2 GLU C 260 8.767 7.584 5.145 1.00 52.31 H new ATOM 0 HB3 GLU C 260 8.554 9.316 5.314 1.00 52.31 H new ATOM 0 HG2 GLU C 260 9.797 7.495 7.393 1.00 65.55 H new ATOM 0 HG3 GLU C 260 10.682 8.509 6.271 1.00 65.55 H new ATOM 2711 N TYR C 261 6.189 7.040 4.672 1.00 21.24 N ATOM 2712 CA TYR C 261 5.335 6.819 3.508 1.00 41.31 C ATOM 2713 C TYR C 261 3.875 6.957 3.895 1.00 22.41 C ATOM 2714 O TYR C 261 3.130 7.745 3.299 1.00 15.12 O ATOM 2715 CB TYR C 261 5.578 5.392 2.993 1.00 73.33 C ATOM 2716 CG TYR C 261 5.228 5.142 1.551 1.00 51.13 C ATOM 2717 CD1 TYR C 261 3.916 5.058 1.107 1.00 54.32 C ATOM 2718 CD2 TYR C 261 6.240 4.970 0.628 1.00 21.25 C ATOM 2719 CE1 TYR C 261 3.634 4.815 -0.227 1.00 4.33 C ATOM 2720 CE2 TYR C 261 5.980 4.733 -0.694 1.00 14.30 C ATOM 2721 CZ TYR C 261 4.671 4.655 -1.126 1.00 24.32 C ATOM 2722 OH TYR C 261 4.396 4.421 -2.452 1.00 33.03 O ATOM 0 H TYR C 261 6.828 6.264 4.846 1.00 21.24 H new ATOM 0 HA TYR C 261 5.571 7.555 2.739 1.00 41.31 H new ATOM 0 HB2 TYR C 261 6.631 5.149 3.138 1.00 73.33 H new ATOM 0 HB3 TYR C 261 5.004 4.702 3.611 1.00 73.33 H new ATOM 0 HD1 TYR C 261 3.106 5.184 1.810 1.00 54.32 H new ATOM 0 HD2 TYR C 261 7.267 5.024 0.959 1.00 21.25 H new ATOM 0 HE1 TYR C 261 2.609 4.751 -0.563 1.00 4.33 H new ATOM 0 HE2 TYR C 261 6.793 4.608 -1.394 1.00 14.30 H new ATOM 0 HH TYR C 261 5.236 4.333 -2.950 1.00 33.03 H new ATOM 2732 N LEU C 262 3.483 6.205 4.908 1.00 42.34 N ATOM 2733 CA LEU C 262 2.107 6.184 5.353 1.00 2.23 C ATOM 2734 C LEU C 262 1.712 7.540 5.896 1.00 75.42 C ATOM 2735 O LEU C 262 0.715 8.102 5.465 1.00 53.44 O ATOM 2736 CB LEU C 262 1.917 5.104 6.407 1.00 54.53 C ATOM 2737 CG LEU C 262 2.308 3.686 5.983 1.00 74.51 C ATOM 2738 CD1 LEU C 262 2.090 2.703 7.118 1.00 61.24 C ATOM 2739 CD2 LEU C 262 1.552 3.245 4.740 1.00 71.25 C ATOM 0 H LEU C 262 4.106 5.597 5.440 1.00 42.34 H new ATOM 0 HA LEU C 262 1.462 5.955 4.504 1.00 2.23 H new ATOM 0 HB2 LEU C 262 2.501 5.374 7.287 1.00 54.53 H new ATOM 0 HB3 LEU C 262 0.870 5.097 6.709 1.00 54.53 H new ATOM 0 HG LEU C 262 3.370 3.700 5.737 1.00 74.51 H new ATOM 0 HD11 LEU C 262 2.375 1.702 6.793 1.00 61.24 H new ATOM 0 HD12 LEU C 262 2.700 2.994 7.973 1.00 61.24 H new ATOM 0 HD13 LEU C 262 1.038 2.706 7.405 1.00 61.24 H new ATOM 0 HD21 LEU C 262 1.856 2.234 4.469 1.00 71.25 H new ATOM 0 HD22 LEU C 262 0.481 3.261 4.941 1.00 71.25 H new ATOM 0 HD23 LEU C 262 1.777 3.924 3.917 1.00 71.25 H new ATOM 2751 N GLU C 263 2.515 8.080 6.816 1.00 32.32 N ATOM 2752 CA GLU C 263 2.268 9.428 7.358 1.00 34.42 C ATOM 2753 C GLU C 263 2.152 10.522 6.287 1.00 64.44 C ATOM 2754 O GLU C 263 1.271 11.386 6.381 1.00 72.42 O ATOM 2755 CB GLU C 263 3.311 9.827 8.401 1.00 21.45 C ATOM 2756 CG GLU C 263 3.116 9.195 9.766 1.00 23.01 C ATOM 2757 CD GLU C 263 1.828 9.657 10.435 1.00 64.24 C ATOM 2758 OE1 GLU C 263 1.765 10.833 10.907 1.00 4.25 O ATOM 2759 OE2 GLU C 263 0.871 8.870 10.520 1.00 73.22 O ATOM 0 H GLU C 263 3.336 7.613 7.202 1.00 32.32 H new ATOM 0 HA GLU C 263 1.293 9.354 7.840 1.00 34.42 H new ATOM 0 HB2 GLU C 263 4.299 9.557 8.029 1.00 21.45 H new ATOM 0 HB3 GLU C 263 3.297 10.911 8.512 1.00 21.45 H new ATOM 0 HG2 GLU C 263 3.101 8.110 9.663 1.00 23.01 H new ATOM 0 HG3 GLU C 263 3.964 9.443 10.404 1.00 23.01 H new ATOM 2766 N LYS C 264 3.005 10.499 5.272 1.00 22.31 N ATOM 2767 CA LYS C 264 2.952 11.542 4.284 1.00 53.33 C ATOM 2768 C LYS C 264 1.769 11.351 3.328 1.00 21.32 C ATOM 2769 O LYS C 264 1.111 12.313 2.969 1.00 33.00 O ATOM 2770 CB LYS C 264 4.321 11.736 3.572 1.00 71.01 C ATOM 2771 CG LYS C 264 4.779 10.627 2.620 1.00 64.21 C ATOM 2772 CD LYS C 264 4.149 10.727 1.227 1.00 2.45 C ATOM 2773 CE LYS C 264 4.748 11.864 0.365 1.00 34.11 C ATOM 2774 NZ LYS C 264 4.570 13.250 0.910 1.00 22.42 N ATOM 0 H LYS C 264 3.719 9.787 5.121 1.00 22.31 H new ATOM 0 HA LYS C 264 2.763 12.485 4.797 1.00 53.33 H new ATOM 0 HB2 LYS C 264 4.280 12.668 3.009 1.00 71.01 H new ATOM 0 HB3 LYS C 264 5.086 11.860 4.339 1.00 71.01 H new ATOM 0 HG2 LYS C 264 5.864 10.665 2.524 1.00 64.21 H new ATOM 0 HG3 LYS C 264 4.531 9.659 3.055 1.00 64.21 H new ATOM 0 HD2 LYS C 264 4.281 9.778 0.707 1.00 2.45 H new ATOM 0 HD3 LYS C 264 3.076 10.887 1.332 1.00 2.45 H new ATOM 0 HE2 LYS C 264 5.814 11.677 0.238 1.00 34.11 H new ATOM 0 HE3 LYS C 264 4.296 11.821 -0.626 1.00 34.11 H new ATOM 0 HZ1 LYS C 264 4.686 13.942 0.143 1.00 22.42 H new ATOM 0 HZ2 LYS C 264 3.618 13.343 1.319 1.00 22.42 H new ATOM 0 HZ3 LYS C 264 5.282 13.428 1.647 1.00 22.42 H new ATOM 2788 N CYS C 265 1.479 10.100 2.950 1.00 42.13 N ATOM 2789 CA CYS C 265 0.326 9.819 2.085 1.00 64.24 C ATOM 2790 C CYS C 265 -0.979 10.057 2.813 1.00 44.34 C ATOM 2791 O CYS C 265 -1.992 10.373 2.192 1.00 73.32 O ATOM 2792 CB CYS C 265 0.368 8.403 1.485 1.00 25.40 C ATOM 2793 SG CYS C 265 1.676 8.153 0.239 1.00 23.20 S ATOM 0 H CYS C 265 2.017 9.278 3.224 1.00 42.13 H new ATOM 0 HA CYS C 265 0.387 10.519 1.252 1.00 64.24 H new ATOM 0 HB2 CYS C 265 0.509 7.684 2.292 1.00 25.40 H new ATOM 0 HB3 CYS C 265 -0.598 8.186 1.029 1.00 25.40 H new ATOM 2798 N LEU C 266 -0.929 9.942 4.128 1.00 1.42 N ATOM 2799 CA LEU C 266 -2.059 10.162 5.004 1.00 0.53 C ATOM 2800 C LEU C 266 -2.499 11.623 4.845 1.00 62.21 C ATOM 2801 O LEU C 266 -3.690 11.942 4.807 1.00 33.32 O ATOM 2802 CB LEU C 266 -1.572 9.895 6.453 1.00 24.21 C ATOM 2803 CG LEU C 266 -2.600 9.595 7.545 1.00 75.14 C ATOM 2804 CD1 LEU C 266 -3.562 10.718 7.779 1.00 32.03 C ATOM 2805 CD2 LEU C 266 -3.333 8.341 7.220 1.00 3.21 C ATOM 0 H LEU C 266 -0.077 9.686 4.627 1.00 1.42 H new ATOM 0 HA LEU C 266 -2.900 9.509 4.770 1.00 0.53 H new ATOM 0 HB2 LEU C 266 -0.879 9.055 6.416 1.00 24.21 H new ATOM 0 HB3 LEU C 266 -1.000 10.766 6.772 1.00 24.21 H new ATOM 0 HG LEU C 266 -2.045 9.471 8.475 1.00 75.14 H new ATOM 0 HD11 LEU C 266 -4.263 10.439 8.566 1.00 32.03 H new ATOM 0 HD12 LEU C 266 -3.013 11.610 8.082 1.00 32.03 H new ATOM 0 HD13 LEU C 266 -4.111 10.924 6.860 1.00 32.03 H new ATOM 0 HD21 LEU C 266 -4.063 8.133 8.002 1.00 3.21 H new ATOM 0 HD22 LEU C 266 -3.846 8.457 6.265 1.00 3.21 H new ATOM 0 HD23 LEU C 266 -2.627 7.513 7.154 1.00 3.21 H new ATOM 2817 N ASN C 267 -1.512 12.491 4.720 1.00 20.32 N ATOM 2818 CA ASN C 267 -1.728 13.920 4.582 1.00 63.11 C ATOM 2819 C ASN C 267 -1.934 14.300 3.096 1.00 33.10 C ATOM 2820 O ASN C 267 -2.246 15.447 2.755 1.00 11.12 O ATOM 2821 CB ASN C 267 -0.540 14.675 5.224 1.00 13.33 C ATOM 2822 CG ASN C 267 -0.671 16.192 5.211 1.00 54.25 C ATOM 2823 OD1 ASN C 267 -0.200 16.865 4.292 1.00 1.14 O ATOM 2824 ND2 ASN C 267 -1.308 16.741 6.221 1.00 21.01 N ATOM 0 H ASN C 267 -0.528 12.221 4.711 1.00 20.32 H new ATOM 0 HA ASN C 267 -2.639 14.211 5.105 1.00 63.11 H new ATOM 0 HB2 ASN C 267 -0.430 14.342 6.256 1.00 13.33 H new ATOM 0 HB3 ASN C 267 0.375 14.398 4.700 1.00 13.33 H new ATOM 0 HD21 ASN C 267 -1.425 17.754 6.261 1.00 21.01 H new ATOM 0 HD22 ASN C 267 -1.686 16.155 6.965 1.00 21.01 H new ATOM 3120 N GLY D 319 15.116 -13.332 3.761 1.00 62.11 N ATOM 3121 CA GLY D 319 15.487 -12.274 4.697 1.00 53.45 C ATOM 3122 C GLY D 319 16.773 -11.590 4.320 1.00 31.21 C ATOM 3123 O GLY D 319 17.873 -12.128 4.558 1.00 20.52 O ATOM 0 HA2 GLY D 319 14.686 -11.535 4.740 1.00 53.45 H new ATOM 0 HA3 GLY D 319 15.585 -12.697 5.697 1.00 53.45 H new ATOM 3127 N ASP D 320 16.649 -10.420 3.741 1.00 22.10 N ATOM 3128 CA ASP D 320 17.780 -9.669 3.262 1.00 63.42 C ATOM 3129 C ASP D 320 17.452 -8.177 3.382 1.00 42.45 C ATOM 3130 O ASP D 320 16.385 -7.832 3.904 1.00 71.12 O ATOM 3131 CB ASP D 320 18.035 -10.080 1.827 1.00 21.13 C ATOM 3132 CG ASP D 320 19.295 -9.507 1.204 1.00 73.11 C ATOM 3133 OD1 ASP D 320 20.399 -10.047 1.450 1.00 61.23 O ATOM 3134 OD2 ASP D 320 19.205 -8.530 0.457 1.00 23.53 O ATOM 0 H ASP D 320 15.751 -9.960 3.589 1.00 22.10 H new ATOM 0 HA ASP D 320 18.681 -9.865 3.844 1.00 63.42 H new ATOM 0 HB2 ASP D 320 18.089 -11.168 1.782 1.00 21.13 H new ATOM 0 HB3 ASP D 320 17.180 -9.778 1.222 1.00 21.13 H new ATOM 3163 N ASP D 322 19.024 -6.131 5.348 1.00 2.35 N ATOM 3164 CA ASP D 322 19.112 -6.030 6.828 1.00 31.22 C ATOM 3165 C ASP D 322 18.074 -6.886 7.455 1.00 71.33 C ATOM 3166 O ASP D 322 18.366 -7.750 8.285 1.00 74.34 O ATOM 3167 CB ASP D 322 18.920 -4.631 7.261 1.00 55.33 C ATOM 3168 CG ASP D 322 19.417 -4.372 8.653 1.00 22.31 C ATOM 3169 OD1 ASP D 322 18.681 -4.618 9.607 1.00 44.45 O ATOM 3170 OD2 ASP D 322 20.567 -3.901 8.786 1.00 55.43 O ATOM 0 HA ASP D 322 20.101 -6.367 7.140 1.00 31.22 H new ATOM 0 HB2 ASP D 322 19.438 -3.968 6.568 1.00 55.33 H new ATOM 0 HB3 ASP D 322 17.860 -4.383 7.208 1.00 55.33 H new ATOM 3175 N SER D 323 16.847 -6.608 7.072 1.00 41.13 N ATOM 3176 CA SER D 323 15.729 -7.401 7.385 1.00 21.12 C ATOM 3177 C SER D 323 15.269 -7.301 8.879 1.00 74.14 C ATOM 3178 O SER D 323 14.400 -8.058 9.331 1.00 14.21 O ATOM 3179 CB SER D 323 16.007 -8.818 6.822 1.00 53.52 C ATOM 3180 OG SER D 323 15.006 -9.773 7.127 1.00 31.52 O ATOM 0 H SER D 323 16.616 -5.787 6.513 1.00 41.13 H new ATOM 0 HA SER D 323 14.830 -7.023 6.899 1.00 21.12 H new ATOM 0 HB2 SER D 323 16.112 -8.752 5.739 1.00 53.52 H new ATOM 0 HB3 SER D 323 16.961 -9.171 7.214 1.00 53.52 H new ATOM 0 HG SER D 323 14.227 -9.626 6.551 1.00 31.52 H new ATOM 3186 N MET D 324 15.818 -6.312 9.619 1.00 41.33 N ATOM 3187 CA MET D 324 15.360 -6.002 10.988 1.00 61.12 C ATOM 3188 C MET D 324 15.326 -4.481 11.215 1.00 22.30 C ATOM 3189 O MET D 324 16.310 -3.796 10.958 1.00 50.14 O ATOM 3190 CB MET D 324 16.240 -6.671 12.055 1.00 64.14 C ATOM 3191 CG MET D 324 16.202 -8.185 12.053 1.00 10.44 C ATOM 3192 SD MET D 324 17.211 -8.911 13.363 1.00 5.11 S ATOM 3193 CE MET D 324 16.921 -10.657 13.075 1.00 33.52 C ATOM 0 H MET D 324 16.578 -5.717 9.290 1.00 41.33 H new ATOM 0 HA MET D 324 14.352 -6.404 11.088 1.00 61.12 H new ATOM 0 HB2 MET D 324 17.271 -6.347 11.910 1.00 64.14 H new ATOM 0 HB3 MET D 324 15.929 -6.315 13.037 1.00 64.14 H new ATOM 0 HG2 MET D 324 15.171 -8.518 12.168 1.00 10.44 H new ATOM 0 HG3 MET D 324 16.550 -8.552 11.087 1.00 10.44 H new ATOM 0 HE1 MET D 324 17.477 -11.244 13.806 1.00 33.52 H new ATOM 0 HE2 MET D 324 15.857 -10.870 13.173 1.00 33.52 H new ATOM 0 HE3 MET D 324 17.252 -10.920 12.070 1.00 33.52 H new ATOM 3203 N LYS D 325 14.181 -3.941 11.647 1.00 34.31 N ATOM 3204 CA LYS D 325 14.082 -2.542 11.935 1.00 40.51 C ATOM 3205 C LYS D 325 12.958 -2.296 12.933 1.00 52.40 C ATOM 3206 O LYS D 325 11.903 -2.940 12.878 1.00 63.13 O ATOM 3207 CB LYS D 325 13.840 -1.751 10.623 1.00 62.43 C ATOM 3208 CG LYS D 325 13.965 -0.271 10.718 1.00 1.42 C ATOM 3209 CD LYS D 325 12.783 0.397 11.372 1.00 22.22 C ATOM 3210 CE LYS D 325 12.986 1.871 11.458 1.00 35.54 C ATOM 3211 NZ LYS D 325 14.100 2.244 12.372 1.00 1.31 N ATOM 0 H LYS D 325 13.321 -4.468 11.799 1.00 34.31 H new ATOM 0 HA LYS D 325 15.016 -2.196 12.379 1.00 40.51 H new ATOM 0 HB2 LYS D 325 14.546 -2.107 9.872 1.00 62.43 H new ATOM 0 HB3 LYS D 325 12.840 -1.988 10.259 1.00 62.43 H new ATOM 0 HG2 LYS D 325 14.866 -0.027 11.281 1.00 1.42 H new ATOM 0 HG3 LYS D 325 14.094 0.139 9.716 1.00 1.42 H new ATOM 0 HD2 LYS D 325 11.878 0.183 10.803 1.00 22.22 H new ATOM 0 HD3 LYS D 325 12.635 -0.013 12.371 1.00 22.22 H new ATOM 0 HE2 LYS D 325 13.191 2.264 10.462 1.00 35.54 H new ATOM 0 HE3 LYS D 325 12.065 2.341 11.803 1.00 35.54 H new ATOM 0 HZ1 LYS D 325 14.123 3.277 12.488 1.00 1.31 H new ATOM 0 HZ2 LYS D 325 13.954 1.795 13.298 1.00 1.31 H new ATOM 0 HZ3 LYS D 325 15.003 1.921 11.969 1.00 1.31 H new ATOM 3225 N GLU D 326 13.198 -1.376 13.831 1.00 60.15 N ATOM 3226 CA GLU D 326 12.209 -0.925 14.778 1.00 5.41 C ATOM 3227 C GLU D 326 12.176 0.613 14.779 1.00 20.22 C ATOM 3228 O GLU D 326 13.227 1.261 14.879 1.00 22.30 O ATOM 3229 CB GLU D 326 12.476 -1.500 16.171 1.00 20.22 C ATOM 3230 CG GLU D 326 13.865 -1.241 16.715 1.00 62.23 C ATOM 3231 CD GLU D 326 14.048 -1.848 18.069 1.00 72.45 C ATOM 3232 OE1 GLU D 326 14.249 -3.086 18.157 1.00 51.53 O ATOM 3233 OE2 GLU D 326 13.976 -1.117 19.071 1.00 1.10 O ATOM 0 H GLU D 326 14.101 -0.911 13.927 1.00 60.15 H new ATOM 0 HA GLU D 326 11.226 -1.290 14.480 1.00 5.41 H new ATOM 0 HB2 GLU D 326 11.747 -1.083 16.866 1.00 20.22 H new ATOM 0 HB3 GLU D 326 12.309 -2.577 16.141 1.00 20.22 H new ATOM 0 HG2 GLU D 326 14.607 -1.650 16.029 1.00 62.23 H new ATOM 0 HG3 GLU D 326 14.040 -0.167 16.771 1.00 62.23 H new ATOM 3240 N PRO D 327 10.996 1.214 14.573 1.00 4.04 N ATOM 3241 CA PRO D 327 10.842 2.656 14.544 1.00 24.31 C ATOM 3242 C PRO D 327 11.033 3.267 15.907 1.00 74.23 C ATOM 3243 O PRO D 327 10.710 2.663 16.939 1.00 14.42 O ATOM 3244 CB PRO D 327 9.385 2.856 14.083 1.00 64.43 C ATOM 3245 CG PRO D 327 8.711 1.616 14.513 1.00 72.13 C ATOM 3246 CD PRO D 327 9.724 0.540 14.316 1.00 50.43 C ATOM 0 HA PRO D 327 11.579 3.131 13.896 1.00 24.31 H new ATOM 0 HB2 PRO D 327 8.936 3.736 14.543 1.00 64.43 H new ATOM 0 HB3 PRO D 327 9.321 2.993 13.004 1.00 64.43 H new ATOM 0 HG2 PRO D 327 8.398 1.678 15.555 1.00 72.13 H new ATOM 0 HG3 PRO D 327 7.815 1.428 13.922 1.00 72.13 H new ATOM 0 HD2 PRO D 327 9.565 -0.291 15.003 1.00 50.43 H new ATOM 0 HD3 PRO D 327 9.684 0.131 13.306 1.00 50.43 H new